Daily Papers

Vision-Language Models (VLMs) have demonstrated strong capabilities in aligning visual and textual modalities, enabling a wide range of applications in multimodal understanding and generation. While they excel in zero-shot and transfer learning scenarios, VLMs remain susceptible to misclassification, often yielding confident yet incorrect predictions. This limitation poses a significant risk in safety-critical domains, where erroneous predictions can lead to severe consequences. In this work, we introduce TrustVLM, a training-free framework designed to address the critical challenge of estimating when VLM's predictions can be trusted. Motivated by the observed modality gap in VLMs and the insight that certain concepts are more distinctly represented in the image embedding space, we propose a novel confidence-scoring function that leverages this space to improve misclassification detection. We rigorously evaluate our approach across 17 diverse datasets, employing 4 architectures and 2 VLMs, and demonstrate state-of-the-art performance, with improvements of up to 51.87% in AURC, 9.14% in AUROC, and 32.42% in FPR95 compared to existing baselines. By improving the reliability of the model without requiring retraining, TrustVLM paves the way for safer deployment of VLMs in real-world applications. The code will be available at https://github.com/EPFL-IMOS/TrustVLM.

How does the internal computation of a machine learning model transform inputs into predictions? In this paper, we introduce a task called component modeling that aims to address this question. The goal of component modeling is to decompose an ML model's prediction in terms of its components -- simple functions (e.g., convolution filters, attention heads) that are the "building blocks" of model computation. We focus on a special case of this task, component attribution, where the goal is to estimate the counterfactual impact of individual components on a given prediction. We then present COAR, a scalable algorithm for estimating component attributions; we demonstrate its effectiveness across models, datasets, and modalities. Finally, we show that component attributions estimated with COAR directly enable model editing across five tasks, namely: fixing model errors, ``forgetting'' specific classes, boosting subpopulation robustness, localizing backdoor attacks, and improving robustness to typographic attacks. We provide code for COAR at https://github.com/MadryLab/modelcomponents .

This study presents an explainable artificial intelligent (XAI) model for predicting pile driving vibrations in Bangkok's soft clay subsoil. A deep neural network was developed using a dataset of 1,018 real-world pile driving measurements, encompassing variations in pile dimensions, hammer characteristics, sensor locations, and vibration measurement axes. The model achieved a mean absolute error (MAE) of 0.276, outperforming traditional empirical methods and other machine learning approaches such as XGBoost and CatBoost. SHapley Additive exPlanations (SHAP) analysis was employed to interpret the model's predictions, revealing complex relationships between input features and peak particle velocity (PPV). Distance from the pile driving location emerged as the most influential factor, followed by hammer weight and pile size. Non-linear relationships and threshold effects were observed, providing new insights into vibration propagation in soft clay. A web-based application was developed to facilitate adoption by practicing engineers, bridging the gap between advanced machine learning techniques and practical engineering applications. This research contributes to the field of geotechnical engineering by offering a more accurate and nuanced approach to predicting pile driving vibrations, with implications for optimizing construction practices and mitigating environmental impacts in urban areas. The model and its source code are publicly available, promoting transparency and reproducibility in geotechnical research.

Saliency maps can explain a neural model's predictions by identifying important input features. They are difficult to interpret for laypeople, especially for instances with many features. In order to make them more accessible, we formalize the underexplored task of translating saliency maps into natural language and compare methods that address two key challenges of this approach -- what and how to verbalize. In both automatic and human evaluation setups, using token-level attributions from text classification tasks, we compare two novel methods (search-based and instruction-based verbalizations) against conventional feature importance representations (heatmap visualizations and extractive rationales), measuring simulatability, faithfulness, helpfulness and ease of understanding. Instructing GPT-3.5 to generate saliency map verbalizations yields plausible explanations which include associations, abstractive summarization and commonsense reasoning, achieving by far the highest human ratings, but they are not faithfully capturing numeric information and are inconsistent in their interpretation of the task. In comparison, our search-based, model-free verbalization approach efficiently completes templated verbalizations, is faithful by design, but falls short in helpfulness and simulatability. Our results suggest that saliency map verbalization makes feature attribution explanations more comprehensible and less cognitively challenging to humans than conventional representations.

We introduce AuriStream, a biologically inspired model for encoding speech via a two-stage framework inspired by the human auditory processing hierarchy. The first stage transforms raw audio into a time-frequency representation based on the human cochlea, from which we extract discrete cochlear tokens. The second stage applies an autoregressive sequence model over the cochlear tokens. AuriStream learns meaningful phoneme and word representations, and state-of-the-art lexical semantics. AuriStream shows competitive performance on diverse downstream SUPERB speech tasks. Complementing AuriStream's strong representational capabilities, it generates continuations of audio which can be visualized in a spectrogram space and decoded back into audio, providing insights into the model's predictions. In summary, we present a two-stage framework for speech representation learning to advance the development of more human-like models that efficiently handle a range of speech-based tasks.

Language Generation Models produce words based on the previous context. Although existing methods offer input attributions as explanations for a model's prediction, it is still unclear how prior words affect the model's decision throughout the layers. In this work, we leverage recent advances in explainability of the Transformer and present a procedure to analyze models for language generation. Using contrastive examples, we compare the alignment of our explanations with evidence of the linguistic phenomena, and show that our method consistently aligns better than gradient-based and perturbation-based baselines. Then, we investigate the role of MLPs inside the Transformer and show that they learn features that help the model predict words that are grammatically acceptable. Lastly, we apply our method to Neural Machine Translation models, and demonstrate that they generate human-like source-target alignments for building predictions.

Explaining the decisions of neural models is crucial for ensuring their trustworthiness at deployment time. Using Natural Language Explanations (NLEs) to justify a model's predictions has recently gained increasing interest. However, this approach usually demands large datasets of human-written NLEs for the ground-truth answers, which are expensive and potentially infeasible for some applications. For models to generate high-quality NLEs when only a few NLEs are available, the fine-tuning of Pre-trained Language Models (PLMs) in conjunction with prompt-based learning recently emerged. However, PLMs typically have billions of parameters, making fine-tuning expensive. We propose SparseFit, a sparse few-shot fine-tuning strategy that leverages discrete prompts to jointly generate predictions and NLEs. We experiment with SparseFit on the T5 model and four datasets and compare it against state-of-the-art parameter-efficient fine-tuning techniques. We perform automatic and human evaluations to assess the quality of the model-generated NLEs, finding that fine-tuning only 6.8% of the model parameters leads to competitive results for both the task performance and the quality of the NLEs.

Large vision-language models have recently achieved remarkable progress, exhibiting great perception and reasoning abilities concerning visual information. However, how to effectively evaluate these large vision-language models remains a major obstacle, hindering future model development. Traditional benchmarks like VQAv2 or COCO Caption provide quantitative performance measurements but suffer from a lack of fine-grained ability assessment and non-robust evaluation metrics. Recent subjective benchmarks, such as OwlEval, offer comprehensive evaluations of a model's abilities by incorporating human labor, but they are not scalable and display significant bias. In response to these challenges, we propose MMBench, a novel multi-modality benchmark. MMBench methodically develops a comprehensive evaluation pipeline, primarily comprised of two elements. The first element is a meticulously curated dataset that surpasses existing similar benchmarks in terms of the number and variety of evaluation questions and abilities. The second element introduces a novel CircularEval strategy and incorporates the use of ChatGPT. This implementation is designed to convert free-form predictions into pre-defined choices, thereby facilitating a more robust evaluation of the model's predictions. MMBench is a systematically-designed objective benchmark for robustly evaluating the various abilities of vision-language models. We hope MMBench will assist the research community in better evaluating their models and encourage future advancements in this domain. Project page: https://opencompass.org.cn/mmbench.

Membership inference attacks (MIAs) aim to determine whether a specific sample was used to train a predictive model. Knowing this may indeed lead to a privacy breach. Most MIAs, however, make use of the model's prediction scores - the probability of each output given some input - following the intuition that the trained model tends to behave differently on its training data. We argue that this is a fallacy for many modern deep network architectures. Consequently, MIAs will miserably fail since overconfidence leads to high false-positive rates not only on known domains but also on out-of-distribution data and implicitly acts as a defense against MIAs. Specifically, using generative adversarial networks, we are able to produce a potentially infinite number of samples falsely classified as part of the training data. In other words, the threat of MIAs is overestimated, and less information is leaked than previously assumed. Moreover, there is actually a trade-off between the overconfidence of models and their susceptibility to MIAs: the more classifiers know when they do not know, making low confidence predictions, the more they reveal the training data.

We present Learning to Explain (LTX), a model-agnostic framework designed for providing post-hoc explanations for vision models. The LTX framework introduces an "explainer" model that generates explanation maps, highlighting the crucial regions that justify the predictions made by the model being explained. To train the explainer, we employ a two-stage process consisting of initial pretraining followed by per-instance finetuning. During both stages of training, we utilize a unique configuration where we compare the explained model's prediction for a masked input with its original prediction for the unmasked input. This approach enables the use of a novel counterfactual objective, which aims to anticipate the model's output using masked versions of the input image. Importantly, the LTX framework is not restricted to a specific model architecture and can provide explanations for both Transformer-based and convolutional models. Through our evaluations, we demonstrate that LTX significantly outperforms the current state-of-the-art in explainability across various metrics.

Explainability is one of the key elements for building trust in AI systems. Among numerous attempts to make AI explainable, quantifying the effect of explanations remains a challenge in conducting human-AI collaborative tasks. Aside from the ability to predict the overall behavior of AI, in many applications, users need to understand an AI agent's competency in different aspects of the task domain. In this paper, we evaluate the impact of explanations on the user's mental model of AI agent competency within the task of visual question answering (VQA). We quantify users' understanding of competency, based on the correlation between the actual system performance and user rankings. We introduce an explainable VQA system that uses spatial and object features and is powered by the BERT language model. Each group of users sees only one kind of explanation to rank the competencies of the VQA model. The proposed model is evaluated through between-subject experiments to probe explanations' impact on the user's perception of competency. The comparison between two VQA models shows BERT based explanations and the use of object features improve the user's prediction of the model's competencies.

With the rapid growth in language processing applications, fairness has emerged as an important consideration in data-driven solutions. Although various fairness definitions have been explored in the recent literature, there is lack of consensus on which metrics most accurately reflect the fairness of a system. In this work, we propose a new formulation : ACCUMULATED PREDICTION SENSITIVITY, which measures fairness in machine learning models based on the model's prediction sensitivity to perturbations in input features. The metric attempts to quantify the extent to which a single prediction depends on a protected attribute, where the protected attribute encodes the membership status of an individual in a protected group. We show that the metric can be theoretically linked with a specific notion of group fairness (statistical parity) and individual fairness. It also correlates well with humans' perception of fairness. We conduct experiments on two text classification datasets : JIGSAW TOXICITY, and BIAS IN BIOS, and evaluate the correlations between metrics and manual annotations on whether the model produced a fair outcome. We observe that the proposed fairness metric based on prediction sensitivity is statistically significantly more correlated with human annotation than the existing counterfactual fairness metric.

Best-of-N (BoN) Average Displacement Error (ADE)/ Final Displacement Error (FDE) is the most used metric for evaluating trajectory prediction models. Yet, the BoN does not quantify the whole generated samples, resulting in an incomplete view of the model's prediction quality and performance. We propose a new metric, Average Mahalanobis Distance (AMD) to tackle this issue. AMD is a metric that quantifies how close the whole generated samples are to the ground truth. We also introduce the Average Maximum Eigenvalue (AMV) metric that quantifies the overall spread of the predictions. Our metrics are validated empirically by showing that the ADE/FDE is not sensitive to distribution shifts, giving a biased sense of accuracy, unlike the AMD/AMV metrics. We introduce the usage of Implicit Maximum Likelihood Estimation (IMLE) as a replacement for traditional generative models to train our model, Social-Implicit. IMLE training mechanism aligns with AMD/AMV objective of predicting trajectories that are close to the ground truth with a tight spread. Social-Implicit is a memory efficient deep model with only 5.8K parameters that runs in real time of about 580Hz and achieves competitive results. Interactive demo of the problem can be seen at https://www.abduallahmohamed.com/social-implicit-amdamv-adefde-demo . Code is available at https://github.com/abduallahmohamed/Social-Implicit .

Reliable application of machine learning is of primary importance to the practical deployment of deep learning methods. A fundamental challenge is that models are often unreliable due to overconfidence. In this paper, we estimate a model's reliability by measuring the agreement between its latent space, and the latent space of a foundation model. However, it is challenging to measure the agreement between two different latent spaces due to their incoherence, \eg, arbitrary rotations and different dimensionality. To overcome this incoherence issue, we design a neighborhood agreement measure between latent spaces and find that this agreement is surprisingly well-correlated with the reliability of a model's predictions. Further, we show that fusing neighborhood agreement into a model's predictive confidence in a post-hoc way significantly improves its reliability. Theoretical analysis and extensive experiments on failure detection across various datasets verify the effectiveness of our method on both in-distribution and out-of-distribution settings.

Predicting high-dimensional or extreme multilabels, such as in medical coding, requires both accuracy and interpretability. Existing works often rely on local interpretability methods, failing to provide comprehensive explanations of the overall mechanism behind each label prediction within a multilabel set. We propose a mechanistic interpretability module called DIctionary Label Attention (\method) that disentangles uninterpretable dense embeddings into a sparse embedding space, where each nonzero element (a dictionary feature) represents a globally learned medical concept. Through human evaluations, we show that our sparse embeddings are more human understandable than its dense counterparts by at least 50 percent. Our automated dictionary feature identification pipeline, leveraging large language models (LLMs), uncovers thousands of learned medical concepts by examining and summarizing the highest activating tokens for each dictionary feature. We represent the relationships between dictionary features and medical codes through a sparse interpretable matrix, enhancing the mechanistic and global understanding of the model's predictions while maintaining competitive performance and scalability without extensive human annotation.

Cell migration in vivo is often guided by chemical signals. Such chemotaxis, such as performed by immune cells migrating to a wound site, is complicated by the complex geometry inside living tissues. In this study, we extend our theoretical model of branched-cell migration on a network by introducing chemokine sources to explore the cellular response. The model predicts a speed-accuracy tradeoff, whereby slow cells are significantly more accurate and able to follow efficiently a weak chemoattractant signal. We then compare the model's predictions with experimental observations of neutrophils migrating to the site of laser-inflicted wound in a zebrafish larva fin, and migrating in-vitro inside a regular lattice of pillars. We find that the model captures the details of the sub-cellular response to the chemokine gradient, as well as the large-scale migration response. This comparison suggests that the neutrophils behave as fast cells, compromising their chemotaxis accuracy, which explains the functionality of these immune cells.

Deep learning models have achieved remarkable success in different areas of machine learning over the past decade; however, the size and complexity of these models make them difficult to understand. In an effort to make them more interpretable, several recent works focus on explaining parts of a deep neural network through human-interpretable, semantic attributes. However, it may be impossible to completely explain complex models using only semantic attributes. In this work, we propose to augment these attributes with a small set of uninterpretable features. Specifically, we develop a novel explanation framework ELUDE (Explanation via Labelled and Unlabelled DEcomposition) that decomposes a model's prediction into two parts: one that is explainable through a linear combination of the semantic attributes, and another that is dependent on the set of uninterpretable features. By identifying the latter, we are able to analyze the "unexplained" portion of the model, obtaining insights into the information used by the model. We show that the set of unlabelled features can generalize to multiple models trained with the same feature space and compare our work to two popular attribute-oriented methods, Interpretable Basis Decomposition and Concept Bottleneck, and discuss the additional insights ELUDE provides.

Test-time computing approaches, which leverage additional computational resources during inference, have been proven effective in enhancing large language model performance. This work introduces a novel, linearly scaling approach, TestNUC, that improves test-time predictions by leveraging the local consistency of neighboring unlabeled data-it classifies an input instance by considering not only the model's prediction on that instance but also on neighboring unlabeled instances. We evaluate TestNUC across eight diverse datasets, spanning intent classification, topic mining, domain discovery, and emotion detection, demonstrating its consistent superiority over baseline methods such as standard prompting and self-consistency. Furthermore, TestNUC can be seamlessly integrated with existing test-time computing approaches, substantially boosting their performance. Our analysis reveals that TestNUC scales effectively with increasing amounts of unlabeled data and performs robustly across different embedding models, making it practical for real-world applications. Our code is available at https://github.com/HenryPengZou/TestNUC.

Retrieval-Augmented Generation (RAG) methods have proven highly effective for tasks requiring factual consistency and robust knowledge retrieval. However, large-scale RAG systems consume significant computational resources and are prone to generating hallucinated content from Humans. In this work, we introduce DRAG, a novel framework for distilling RAG knowledge from large-scale Language Models (LLMs) into small LMs (SLMs). Our approach leverages evidence- and knowledge graph-based distillation, ensuring that the distilled model retains critical factual knowledge while significantly reducing model size and computational cost. By aligning the smaller model's predictions with a structured knowledge graph and ranked evidence, DRAG effectively mitigates hallucinations and improves factual accuracy. We further present a case demonstrating how our framework mitigates user privacy risks and introduce a corresponding benchmark. Experimental evaluations on multiple benchmarks demonstrate that our method outperforms the prior competitive RAG methods like MiniRAG for SLMs by up to 27.7% using the same models, preserving high-level efficiency and reliability. With DRAG, we provide a practical and resource-efficient roadmap to deploying enhanced retrieval and generation capabilities in small-sized LLMs.

Auto-regressive language models factorize sequence probabilities and are trained by minimizing the negative log-likelihood (NLL) objective. While empirically powerful, a deep theoretical understanding of why this simple objective yields such versatile representations remains elusive. This work introduces a unifying analytical framework using Markov Categories (MCs) to deconstruct the AR generation process and the NLL objective. We model the single-step generation map as a composition of Markov kernels in the category Stoch. This compositional view, when enriched with statistical divergences, allows us to dissect information flow and learned geometry. Our framework makes three main contributions. First, we provide a formal, information-theoretic rationale for the success of modern speculative decoding methods like EAGLE, quantifying the information surplus in hidden states that these methods exploit. Second, we formalize how NLL minimization forces the model to learn not just the next token, but the data's intrinsic conditional stochasticity, a process we analyze using categorical entropy. Third, and most centrally, we prove that NLL training acts as an implicit form of spectral contrastive learning. By analyzing the information geometry of the model's prediction head, we show that NLL implicitly forces the learned representation space to align with the eigenspectrum of a predictive similarity operator, thereby learning a geometrically structured space without explicit contrastive pairs. This compositional and information-geometric perspective reveals the deep structural principles underlying the effectiveness of modern LMs. Project Page: https://github.com/asiresearch/lm-theory

Although much research has been done on proposing new models or loss functions to improve the generalisation of artificial neural networks (ANNs), less attention has been directed to the impact of the training data on generalisation. In this work, we start from approximating the interaction between samples, i.e. how learning one sample would modify the model's prediction on other samples. Through analysing the terms involved in weight updates in supervised learning, we find that labels influence the interaction between samples. Therefore, we propose the labelled pseudo Neural Tangent Kernel (lpNTK) which takes label information into consideration when measuring the interactions between samples. We first prove that lpNTK asymptotically converges to the empirical neural tangent kernel in terms of the Frobenius norm under certain assumptions. Secondly, we illustrate how lpNTK helps to understand learning phenomena identified in previous work, specifically the learning difficulty of samples and forgetting events during learning. Moreover, we also show that using lpNTK to identify and remove poisoning training samples does not hurt the generalisation performance of ANNs.

Bayesian optimisation is a popular, surrogate model-based approach for optimising expensive black-box functions. Given a surrogate model, the next location to expensively evaluate is chosen via maximisation of a cheap-to-query acquisition function. We present an epsilon-greedy procedure for Bayesian optimisation in batch settings in which the black-box function can be evaluated multiple times in parallel. Our epsilon-shotgun algorithm leverages the model's prediction, uncertainty, and the approximated rate of change of the landscape to determine the spread of batch solutions to be distributed around a putative location. The initial target location is selected either in an exploitative fashion on the mean prediction, or -- with probability epsilon -- from elsewhere in the design space. This results in locations that are more densely sampled in regions where the function is changing rapidly and in locations predicted to be good (i.e close to predicted optima), with more scattered samples in regions where the function is flatter and/or of poorer quality. We empirically evaluate the epsilon-shotgun methods on a range of synthetic functions and two real-world problems, finding that they perform at least as well as state-of-the-art batch methods and in many cases exceed their performance.

Transformer-based language models for automatic code completion have shown great promise so far, yet the evaluation of these models rarely uses real data. This study provides both quantitative and qualitative assessments of three public code language models when completing real-world code. We first developed an open-source IDE extension, Code4Me, for the online evaluation of the models. We collected real auto-completion usage data for over a year from more than 1200 users, resulting in over 600K valid completions. These models were then evaluated using six standard metrics across twelve programming languages. Next, we conducted a qualitative study of 1690 real-world completion requests to identify the reasons behind the poor model performance. A comparative analysis of the models' performance in online and offline settings was also performed, using benchmark synthetic datasets and two masking strategies. Our findings suggest that while developers utilize code completion across various languages, the best results are achieved for mainstream languages such as Python and Java. InCoder outperformed the other models across all programming languages, highlighting the significance of training data and objectives. Our study also revealed that offline evaluations do not accurately reflect real-world scenarios. Upon qualitative analysis of the model's predictions, we found that 66.3% of failures were due to the models' limitations, 24.4% occurred due to inappropriate model usage in a development context, and 9.3% were valid requests that developers overwrote. Given these findings, we propose several strategies to overcome the current limitations. These include refining training objectives, improving resilience to typographical errors, adopting hybrid approaches, and enhancing implementations and usability.

Recent advances in diffusion and flow-based generative models have demonstrated remarkable success in image restoration tasks, achieving superior perceptual quality compared to traditional deep learning approaches. However, these methods either require numerous sampling steps to generate high-quality images, resulting in significant computational overhead, or rely on model distillation, which usually imposes a fixed fidelity-realism trade-off and thus lacks flexibility. In this paper, we introduce OFTSR, a novel flow-based framework for one-step image super-resolution that can produce outputs with tunable levels of fidelity and realism. Our approach first trains a conditional flow-based super-resolution model to serve as a teacher model. We then distill this teacher model by applying a specialized constraint. Specifically, we force the predictions from our one-step student model for same input to lie on the same sampling ODE trajectory of the teacher model. This alignment ensures that the student model's single-step predictions from initial states match the teacher's predictions from a closer intermediate state. Through extensive experiments on challenging datasets including FFHQ (256times256), DIV2K, and ImageNet (256times256), we demonstrate that OFTSR achieves state-of-the-art performance for one-step image super-resolution, while having the ability to flexibly tune the fidelity-realism trade-off. Code and pre-trained models are available at https://github.com/yuanzhi-zhu/OFTSR and https://huggingface.co/Yuanzhi/OFTSR, respectively.

Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

With climate change-related extreme events on the rise, high dimensional Earth observation data presents a unique opportunity for forecasting and understanding impacts on ecosystems. This is, however, impeded by the complexity of processing, visualizing, modeling, and explaining this data. To showcase how this challenge can be met, here we train a convolutional long short-term memory-based architecture on the novel DeepExtremeCubes dataset. DeepExtremeCubes includes around 40,000 long-term Sentinel-2 minicubes (January 2016-October 2022) worldwide, along with labeled extreme events, meteorological data, vegetation land cover, and topography map, sampled from locations affected by extreme climate events and surrounding areas. When predicting future reflectances and vegetation impacts through kernel normalized difference vegetation index, the model achieved an R^2 score of 0.9055 in the test set. Explainable artificial intelligence was used to analyze the model's predictions during the October 2020 Central South America compound heatwave and drought event. We chose the same area exactly one year before the event as counterfactual, finding that the average temperature and surface pressure are generally the best predictors under normal conditions. In contrast, minimum anomalies of evaporation and surface latent heat flux take the lead during the event. A change of regime is also observed in the attributions before the event, which might help assess how long the event was brewing before happening. The code to replicate all experiments and figures in this paper is publicly available at https://github.com/DeepExtremes/txyXAI

This study examines the effects of de-globalization trends on international trade networks and their role in improving forecasts for economic growth. Using section-level trade data from nearly 200 countries from 2010 to 2022, we identify significant shifts in the network topology driven by rising trade policy uncertainty. Our analysis highlights key global players through centrality rankings, with the United States, China, and Germany maintaining consistent dominance. Using a horse race of supervised regressors, we find that network topology descriptors evaluated from section-specific trade networks substantially enhance the quality of a country's GDP growth forecast. We also find that non-linear models, such as Random Forest, XGBoost, and LightGBM, outperform traditional linear models used in the economics literature. Using SHAP values to interpret these non-linear model's predictions, we find that about half of most important features originate from the network descriptors, underscoring their vital role in refining forecasts. Moreover, this study emphasizes the significance of recent economic performance, population growth, and the primary sector's influence in shaping economic growth predictions, offering novel insights into the intricacies of economic growth forecasting.

There is a recently discovered and intriguing phenomenon called Neural Collapse: at the terminal phase of training a deep neural network for classification, the within-class penultimate feature means and the associated classifier vectors of all flat classes collapse to the vertices of a simplex Equiangular Tight Frame (ETF). Recent work has tried to exploit this phenomenon by fixing the related classifier weights to a pre-computed ETF to induce neural collapse and maximize the separation of the learned features when training with imbalanced data. In this work, we propose to fix the linear classifier of a deep neural network to a Hierarchy-Aware Frame (HAFrame), instead of an ETF, and use a cosine similarity-based auxiliary loss to learn hierarchy-aware penultimate features that collapse to the HAFrame. We demonstrate that our approach reduces the mistake severity of the model's predictions while maintaining its top-1 accuracy on several datasets of varying scales with hierarchies of heights ranging from 3 to 12. Code: https://github.com/ltong1130ztr/HAFrame

We demonstrate and investigate the remarkable robustness of Large Language Models by deleting and swapping adjacent layers. We find that deleting and swapping interventions retain 72-95\% of the original model's prediction accuracy without fine-tuning, whereas models with more layers exhibit more robustness. Based on the results of the layer-wise intervention and further experiments, we hypothesize the existence of four universal stages of inference across eight different models: detokenization, feature engineering, prediction ensembling, and residual sharpening. The first stage integrates local information, lifting raw token representations into higher-level contextual representations. Next is the iterative refinement of task and entity-specific features. Then, the second half of the model begins with a phase transition, where hidden representations align more with the vocabulary space due to specialized model components. Finally, the last layer sharpens the following token distribution by eliminating obsolete features that add noise to the prediction.

Intrinsic decomposition is a fundamental mid-level vision problem that plays a crucial role in various inverse rendering and computational photography pipelines. Generating highly accurate intrinsic decompositions is an inherently under-constrained task that requires precisely estimating continuous-valued shading and albedo. In this work, we achieve high-resolution intrinsic decomposition by breaking the problem into two parts. First, we present a dense ordinal shading formulation using a shift- and scale-invariant loss in order to estimate ordinal shading cues without restricting the predictions to obey the intrinsic model. We then combine low- and high-resolution ordinal estimations using a second network to generate a shading estimate with both global coherency and local details. We encourage the model to learn an accurate decomposition by computing losses on the estimated shading as well as the albedo implied by the intrinsic model. We develop a straightforward method for generating dense pseudo ground truth using our model's predictions and multi-illumination data, enabling generalization to in-the-wild imagery. We present an exhaustive qualitative and quantitative analysis of our predicted intrinsic components against state-of-the-art methods. Finally, we demonstrate the real-world applicability of our estimations by performing otherwise difficult editing tasks such as recoloring and relighting.

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-based approaches are far more scalable, but typically rely on heuristic embeddings that are not optimized for attribution, limiting their fidelity. To address these challenges, we propose AirRep, a scalable, representation-based approach that closes this gap by learning task-specific and model-aligned representations optimized explicitly for TDA. AirRep introduces two key innovations: a trainable encoder tuned for attribution quality, and an attention-based pooling mechanism that enables accurate estimation of group-wise influence. We train AirRep using a ranking objective over automatically constructed training subsets labeled by their empirical effect on target predictions. Experiments on instruction-tuned LLMs demonstrate that AirRep achieves performance on par with state-of-the-art gradient-based approaches while being nearly two orders of magnitude more efficient at inference time. Further analysis highlights its robustness and generalization across tasks and models. Our code is available at https://github.com/sunnweiwei/AirRep.

Explainable machine learning holds great potential for analyzing and understanding learning-based systems. These methods can, however, be manipulated to present unfaithful explanations, giving rise to powerful and stealthy adversaries. In this paper, we demonstrate blinding attacks that can fully disguise an ongoing attack against the machine learning model. Similar to neural backdoors, we modify the model's prediction upon trigger presence but simultaneously also fool the provided explanation. This enables an adversary to hide the presence of the trigger or point the explanation to entirely different portions of the input, throwing a red herring. We analyze different manifestations of such attacks for different explanation types in the image domain, before we resume to conduct a red-herring attack against malware classification.

Large Language Models (LLMs) for code are a family of high-parameter, transformer-based neural networks pre-trained on massive datasets of both natural and programming languages. These models are rapidly being employed in commercial AI-based developer tools, such as GitHub CoPilot. However, measuring and explaining their effectiveness on programming tasks is a challenging proposition, given their size and complexity. The methods for evaluating and explaining LLMs for code are inextricably linked. That is, in order to explain a model's predictions, they must be reliably mapped to fine-grained, understandable concepts. Once this mapping is achieved, new methods for detailed model evaluations are possible. However, most current explainability techniques and evaluation benchmarks focus on model robustness or individual task performance, as opposed to interpreting model predictions. To this end, this paper introduces ASTxplainer, an explainability method specific to LLMs for code that enables both new methods for LLM evaluation and visualizations of LLM predictions that aid end-users in understanding model predictions. At its core, ASTxplainer provides an automated method for aligning token predictions with AST nodes, by extracting and aggregating normalized model logits within AST structures. To demonstrate the practical benefit of ASTxplainer, we illustrate the insights that our framework can provide by performing an empirical evaluation on 12 popular LLMs for code using a curated dataset of the most popular GitHub projects. Additionally, we perform a user study examining the usefulness of an ASTxplainer-derived visualization of model predictions aimed at enabling model users to explain predictions. The results of these studies illustrate the potential for ASTxplainer to provide insights into LLM effectiveness, and aid end-users in understanding predictions.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

This study presents the first investigation of pedestrian crash severity using the TabNet model, a novel tabular deep learning method exceptionally suited for analyzing the tabular data inherent in transportation safety research. Through the application of TabNet to a comprehensive dataset from Utah covering the years 2010 to 2022, we uncover intricate factors contributing to pedestrian crash severity. The TabNet model, capitalizing on its compatibility with structured data, demonstrates remarkable predictive accuracy, eclipsing that of traditional models. It identifies critical variables, such as pedestrian age, involvement in left or right turns, lighting conditions, and alcohol consumption, which significantly influence crash outcomes. The utilization of SHapley Additive exPlanations (SHAP) enhances our ability to interpret the TabNet model's predictions, ensuring transparency and understandability in our deep learning approach. The insights derived from our analysis provide a valuable compass for transportation safety engineers and policymakers, enabling the identification of pivotal factors that affect pedestrian crash severity. Such knowledge is instrumental in formulating precise, data-driven interventions aimed at bolstering pedestrian safety across diverse urban and rural settings.

Question Answering (QA) systems are increasingly deployed in applications where they support real-world decisions. However, state-of-the-art models rely on deep neural networks, which are difficult to interpret by humans. Inherently interpretable models or post hoc explainability methods can help users to comprehend how a model arrives at its prediction and, if successful, increase their trust in the system. Furthermore, researchers can leverage these insights to develop new methods that are more accurate and less biased. In this paper, we introduce SQuARE v2, the new version of SQuARE, to provide an explainability infrastructure for comparing models based on methods such as saliency maps and graph-based explanations. While saliency maps are useful to inspect the importance of each input token for the model's prediction, graph-based explanations from external Knowledge Graphs enable the users to verify the reasoning behind the model prediction. In addition, we provide multiple adversarial attacks to compare the robustness of QA models. With these explainability methods and adversarial attacks, we aim to ease the research on trustworthy QA models. SQuARE is available on https://square.ukp-lab.de.

Counterfactual explanations are attracting significant attention due to the flourishing applications of machine learning models in consequential domains. A counterfactual plan consists of multiple possibilities to modify a given instance so that the model's prediction will be altered. As the predictive model can be updated subject to the future arrival of new data, a counterfactual plan may become ineffective or infeasible with respect to the future values of the model parameters. In this work, we study the counterfactual plans under model uncertainty, in which the distribution of the model parameters is partially prescribed using only the first- and second-moment information. First, we propose an uncertainty quantification tool to compute the lower and upper bounds of the probability of validity for any given counterfactual plan. We then provide corrective methods to adjust the counterfactual plan to improve the validity measure. The numerical experiments validate our bounds and demonstrate that our correction increases the robustness of the counterfactual plans in different real-world datasets.

This paper proposes a simple method to distill and detect backdoor patterns within an image: Cognitive Distillation (CD). The idea is to extract the "minimal essence" from an input image responsible for the model's prediction. CD optimizes an input mask to extract a small pattern from the input image that can lead to the same model output (i.e., logits or deep features). The extracted pattern can help understand the cognitive mechanism of a model on clean vs. backdoor images and is thus called a Cognitive Pattern (CP). Using CD and the distilled CPs, we uncover an interesting phenomenon of backdoor attacks: despite the various forms and sizes of trigger patterns used by different attacks, the CPs of backdoor samples are all surprisingly and suspiciously small. One thus can leverage the learned mask to detect and remove backdoor examples from poisoned training datasets. We conduct extensive experiments to show that CD can robustly detect a wide range of advanced backdoor attacks. We also show that CD can potentially be applied to help detect potential biases from face datasets. Code is available at https://github.com/HanxunH/CognitiveDistillation.

Recent dynamic tokenisation methods operate directly on bytes and pool their latent representations into patches. This bears similarities to computational models of word segmentation that determine lexical boundaries using spikes in an autoregressive model's prediction error. Inspired by this connection, we explore whether grouping predictable bytes - rather than pooling their representations - can yield a useful fixed subword vocabulary. We propose a new information-driven subword tokeniser, ByteSpan, that uses an external byte-level LM during training to identify contiguous predictable byte sequences and group them into subwords. Experiments show that ByteSpan yields efficient vocabularies with higher morphological alignment scores than BPE for English. Multilingual experiments show similar compression and R\'enyi efficiency for 25 languages.

Large reasoning models (LRMs) have demonstrated impressive capabilities in complex problem-solving, yet their internal reasoning mechanisms remain poorly understood. In this paper, we investigate the reasoning trajectories of LRMs from an information-theoretic perspective. By tracking how mutual information (MI) between intermediate representations and the correct answer evolves during LRM reasoning, we observe an interesting MI peaks phenomenon: the MI at specific generative steps exhibits a sudden and significant increase during LRM's reasoning process. We theoretically analyze such phenomenon and show that as MI increases, the probability of model's prediction error decreases. Furthermore, these MI peaks often correspond to tokens expressing reflection or transition, such as ``Hmm'', ``Wait'' and ``Therefore,'' which we term as the thinking tokens. We then demonstrate that these thinking tokens are crucial for LRM's reasoning performance, while other tokens has minimal impacts. Building on these analyses, we propose two simple yet effective methods to improve LRM's reasoning performance, by delicately leveraging these thinking tokens. Overall, our work provides novel insights into the reasoning mechanisms of LRMs and offers practical ways to improve their reasoning capabilities. The code is available at https://github.com/ChnQ/MI-Peaks.

Modern machine learning models are sensitive to the manipulation of both the training data (poisoning attacks) and inference data (adversarial examples). Recognizing this issue, the community has developed many empirical defenses against both attacks and, more recently, provable certification methods against inference-time attacks. However, such guarantees are still largely lacking for training-time attacks. In this work, we present FullCert, the first end-to-end certifier with sound, deterministic bounds, which proves robustness against both training-time and inference-time attacks. We first bound all possible perturbations an adversary can make to the training data under the considered threat model. Using these constraints, we bound the perturbations' influence on the model's parameters. Finally, we bound the impact of these parameter changes on the model's prediction, resulting in joint robustness guarantees against poisoning and adversarial examples. To facilitate this novel certification paradigm, we combine our theoretical work with a new open-source library BoundFlow, which enables model training on bounded datasets. We experimentally demonstrate FullCert's feasibility on two different datasets.

In data poisoning attacks, an adversary tries to change a model's prediction by adding, modifying, or removing samples in the training data. Recently, ensemble-based approaches for obtaining provable defenses against data poisoning have been proposed where predictions are done by taking a majority vote across multiple base models. In this work, we show that merely considering the majority vote in ensemble defenses is wasteful as it does not effectively utilize available information in the logits layers of the base models. Instead, we propose Run-Off Election (ROE), a novel aggregation method based on a two-round election across the base models: In the first round, models vote for their preferred class and then a second, Run-Off election is held between the top two classes in the first round. Based on this approach, we propose DPA+ROE and FA+ROE defense methods based on Deep Partition Aggregation (DPA) and Finite Aggregation (FA) approaches from prior work. We evaluate our methods on MNIST, CIFAR-10, and GTSRB and obtain improvements in certified accuracy by up to 3%-4%. Also, by applying ROE on a boosted version of DPA, we gain improvements around 12%-27% comparing to the current state-of-the-art, establishing a new state-of-the-art in (pointwise) certified robustness against data poisoning. In many cases, our approach outperforms the state-of-the-art, even when using 32 times less computational power.

Contrastive learning (CL) has been successful as a powerful representation learning method. In this work we propose CLIM: Contrastive Learning with mutual Information Maximization, to explore the potential of CL on cross-domain sentiment classification. To the best of our knowledge, CLIM is the first to adopt contrastive learning for natural language processing (NLP) tasks across domains. Due to scarcity of labels on the target domain, we introduce mutual information maximization (MIM) apart from CL to exploit the features that best support the final prediction. Furthermore, MIM is able to maintain a relatively balanced distribution of the model's prediction, and enlarges the margin between classes on the target domain. The larger margin increases our model's robustness and enables the same classifier to be optimal across domains. Consequently, we achieve new state-of-the-art results on the Amazon-review dataset as well as the airlines dataset, showing the efficacy of our proposed method CLIM.

Human action understanding is crucial for the advancement of multimodal systems. While recent developments, driven by powerful large language models (LLMs), aim to be general enough to cover a wide range of categories, they often overlook the need for more specific capabilities. In this work, we address the more challenging task of Fine-grained Action Recognition (FAR), which focuses on detailed semantic labels within shorter temporal duration (e.g., "salto backward tucked with 1 turn"). Given the high costs of annotating fine-grained labels and the substantial data needed for fine-tuning LLMs, we propose to adopt semi-supervised learning (SSL). Our framework, SeFAR, incorporates several innovative designs to tackle these challenges. Specifically, to capture sufficient visual details, we construct Dual-level temporal elements as more effective representations, based on which we design a new strong augmentation strategy for the Teacher-Student learning paradigm through involving moderate temporal perturbation. Furthermore, to handle the high uncertainty within the teacher model's predictions for FAR, we propose the Adaptive Regulation to stabilize the learning process. Experiments show that SeFAR achieves state-of-the-art performance on two FAR datasets, FineGym and FineDiving, across various data scopes. It also outperforms other semi-supervised methods on two classical coarse-grained datasets, UCF101 and HMDB51. Further analysis and ablation studies validate the effectiveness of our designs. Additionally, we show that the features extracted by our SeFAR could largely promote the ability of multimodal foundation models to understand fine-grained and domain-specific semantics.

Natural language explanations (NLEs) are commonly used to provide plausible free-text explanations of a model's reasoning about its predictions. However, recent work has questioned the faithfulness of NLEs, as they may not accurately reflect the model's internal reasoning process regarding its predicted answer. In contrast, highlight explanations -- input fragments identified as critical for the model's predictions -- exhibit measurable faithfulness, which has been incrementally improved through existing research. Building on this foundation, we propose G-Tex, a Graph-Guided Textual Explanation Generation framework designed to enhance the faithfulness of NLEs by leveraging highlight explanations. Specifically, highlight explanations are extracted as highly faithful cues representing the model's reasoning and are subsequently encoded through a graph neural network layer, which explicitly guides the NLE generation process. This alignment ensures that the generated explanations closely reflect the model's underlying reasoning. Experiments on T5 and BART using three reasoning datasets show that G-Tex improves NLE faithfulness by up to 17.59% compared to baseline methods. Additionally, G-Tex generates NLEs with greater semantic and lexical similarity to human-written ones. Human evaluations show that G-Tex can decrease redundant content and enhance the overall quality of NLEs. As our work introduces a novel method for explicitly guiding NLE generation to improve faithfulness, we hope it will serve as a stepping stone for addressing additional criteria for NLE and generated text overall.

Learning dynamics, which describes how the learning of specific training examples influences the model's predictions on other examples, gives us a powerful tool for understanding the behavior of deep learning systems. We study the learning dynamics of large language models during different types of finetuning, by analyzing the step-wise decomposition of how influence accumulates among different potential responses. Our framework allows a uniform interpretation of many interesting observations about the training of popular algorithms for both instruction tuning and preference tuning. In particular, we propose a hypothetical explanation of why specific types of hallucination are strengthened after finetuning, e.g., the model might use phrases or facts in the response for question B to answer question A, or the model might keep repeating similar simple phrases when generating responses. We also extend our framework and highlight a unique "squeezing effect" to explain a previously observed phenomenon in off-policy direct preference optimization (DPO), where running DPO for too long makes even the desired outputs less likely. This framework also provides insights into where the benefits of on-policy DPO and other variants come from. The analysis not only provides a novel perspective of understanding LLM's finetuning but also inspires a simple, effective method to improve alignment performance.

Biomedical Named Entity Recognition presents significant challenges due to the complexity of biomedical terminology and inconsistencies in annotation across datasets. This paper introduces SRU-NER (Slot-based Recurrent Unit NER), a novel approach designed to handle nested named entities while integrating multiple datasets through an effective multi-task learning strategy. SRU-NER mitigates annotation gaps by dynamically adjusting loss computation to avoid penalizing predictions of entity types absent in a given dataset. Through extensive experiments, including a cross-corpus evaluation and human assessment of the model's predictions, SRU-NER achieves competitive performance in biomedical and general-domain NER tasks, while improving cross-domain generalization.

Large Language Models (LLMs) can achieve strong performance on many tasks by producing step-by-step reasoning before giving a final output, often referred to as chain-of-thought reasoning (CoT). It is tempting to interpret these CoT explanations as the LLM's process for solving a task. However, we find that CoT explanations can systematically misrepresent the true reason for a model's prediction. We demonstrate that CoT explanations can be heavily influenced by adding biasing features to model inputs -- e.g., by reordering the multiple-choice options in a few-shot prompt to make the answer always "(A)" -- which models systematically fail to mention in their explanations. When we bias models toward incorrect answers, they frequently generate CoT explanations supporting those answers. This causes accuracy to drop by as much as 36% on a suite of 13 tasks from BIG-Bench Hard, when testing with GPT-3.5 from OpenAI and Claude 1.0 from Anthropic. On a social-bias task, model explanations justify giving answers in line with stereotypes without mentioning the influence of these social biases. Our findings indicate that CoT explanations can be plausible yet misleading, which risks increasing our trust in LLMs without guaranteeing their safety. CoT is promising for explainability, but our results highlight the need for targeted efforts to evaluate and improve explanation faithfulness.

Balancing efficiency and accuracy is a long-standing problem for deploying deep learning models. The trade-off is even more important for real-time safety-critical systems like autonomous vehicles. In this paper, we propose an effective approach for accelerating transformer-based 3D object detectors by dynamically halting tokens at different layers depending on their contribution to the detection task. Although halting a token is a non-differentiable operation, our method allows for differentiable end-to-end learning by leveraging an equivalent differentiable forward-pass. Furthermore, our framework allows halted tokens to be reused to inform the model's predictions through a straightforward token recycling mechanism. Our method significantly improves the Pareto frontier of efficiency versus accuracy when compared with the existing approaches. By halting tokens and increasing model capacity, we are able to improve the baseline model's performance without increasing the model's latency on the Waymo Open Dataset.

Deep neural networks are being used increasingly to automate data analysis and decision making, yet their decision-making process is largely unclear and is difficult to explain to the end users. In this paper, we address the problem of Explainable AI for deep neural networks that take images as input and output a class probability. We propose an approach called RISE that generates an importance map indicating how salient each pixel is for the model's prediction. In contrast to white-box approaches that estimate pixel importance using gradients or other internal network state, RISE works on black-box models. It estimates importance empirically by probing the model with randomly masked versions of the input image and obtaining the corresponding outputs. We compare our approach to state-of-the-art importance extraction methods using both an automatic deletion/insertion metric and a pointing metric based on human-annotated object segments. Extensive experiments on several benchmark datasets show that our approach matches or exceeds the performance of other methods, including white-box approaches. Project page: http://cs-people.bu.edu/vpetsiuk/rise/

Selecting appropriate training data is crucial for effective instruction fine-tuning of large language models (LLMs), which aims to (1) elicit strong capabilities, and (2) achieve balanced performance across a diverse range of tasks. Influence-based methods show promise in achieving (1) by estimating the contribution of each training example to the model's predictions, but often struggle with (2). Our systematic investigation reveals that this underperformance can be attributed to an inherent bias where certain tasks intrinsically have greater influence than others. As a result, data selection is often biased towards these tasks, not only hurting the model's performance on others but also, counterintuitively, harms performance on these high-influence tasks themselves. As a remedy, we propose BIDS, a Balanced and Influential Data Selection algorithm. BIDS first normalizes influence scores of the training data, and then iteratively balances data selection by choosing the training example with the highest influence on the most underrepresented task. Experiments with both Llama-3 and Mistral-v0.3 on seven benchmarks spanning five diverse capabilities show that BIDS consistently outperforms both state-of-the-art influence-based algorithms and other non-influence-based selection frameworks. Surprisingly, training on a 15% subset selected by BIDS can even outperform full-dataset training with a much more balanced performance. Our analysis further highlights the importance of both instance-level normalization and iterative optimization of selected data for balanced learning of diverse capabilities.

Explainable AI (XAI) is the study on how humans can be able to understand the cause of a model's prediction. In this work, the problem of interest is Scene Text Recognition (STR) Explainability, using XAI to understand the cause of an STR model's prediction. Recent XAI literatures on STR only provide a simple analysis and do not fully explore other XAI methods. In this study, we specifically work on data explainability frameworks, called attribution-based methods, that explain the important parts of an input data in deep learning models. However, integrating them into STR produces inconsistent and ineffective explanations, because they only explain the model in the global context. To solve this problem, we propose a new method, STRExp, to take into consideration the local explanations, i.e. the individual character prediction explanations. This is then benchmarked across different attribution-based methods on different STR datasets and evaluated across different STR models.

Test-time adaptation (TTA) methods, which generally rely on the model's predictions (e.g., entropy minimization) to adapt the source pretrained model to the unlabeled target domain, suffer from noisy signals originating from 1) incorrect or 2) open-set predictions. Long-term stable adaptation is hampered by such noisy signals, so training models without such error accumulation is crucial for practical TTA. To address these issues, including open-set TTA, we propose a simple yet effective sample selection method inspired by the following crucial empirical finding. While entropy minimization compels the model to increase the probability of its predicted label (i.e., confidence values), we found that noisy samples rather show decreased confidence values. To be more specific, entropy minimization attempts to raise the confidence values of an individual sample's prediction, but individual confidence values may rise or fall due to the influence of signals from numerous other predictions (i.e., wisdom of crowds). Due to this fact, noisy signals misaligned with such 'wisdom of crowds', generally found in the correct signals, fail to raise the individual confidence values of wrong samples, despite attempts to increase them. Based on such findings, we filter out the samples whose confidence values are lower in the adapted model than in the original model, as they are likely to be noisy. Our method is widely applicable to existing TTA methods and improves their long-term adaptation performance in both image classification (e.g., 49.4% reduced error rates with TENT) and semantic segmentation (e.g., 11.7% gain in mIoU with TENT).

We present a new general learning approach for action recognition, Prompt Learning for Action Recognition (PLAR), which leverages the strengths of prompt learning to guide the learning process. Our approach is designed to predict the action label by helping the models focus on the descriptions or instructions associated with actions in the input videos. Our formulation uses various prompts, including optical flow, large vision models, and learnable prompts to improve the recognition performance. Moreover, we propose a learnable prompt method that learns to dynamically generate prompts from a pool of prompt experts under different inputs. By sharing the same objective, our proposed PLAR can optimize prompts that guide the model's predictions while explicitly learning input-invariant (prompt experts pool) and input-specific (data-dependent) prompt knowledge. We evaluate our approach on datasets consisting of both ground camera videos and aerial videos, and scenes with single-agent and multi-agent actions. In practice, we observe a 3.17-10.2% accuracy improvement on the aerial multi-agent dataset, Okutamam and 0.8-2.6% improvement on the ground camera single-agent dataset, Something Something V2. We plan to release our code on the WWW.

Aligning with personalized preferences, which vary significantly across cultural, educational, and political differences, poses a significant challenge due to the computational costs and data demands of traditional alignment methods. In response, this paper presents Personalized Alignment at Decoding-time (PAD), a novel framework designed to align LLM outputs with diverse personalized preferences during the inference phase, eliminating the need for additional training. By introducing a unique personalized reward modeling strategy, this framework decouples the text generation process from personalized preferences, facilitating the generation of generalizable token-level personalized rewards. The PAD algorithm leverages these rewards to guide the decoding process, dynamically tailoring the base model's predictions to personalized preferences. Extensive experimental results demonstrate that PAD not only outperforms existing training-based alignment methods in terms of aligning with diverse preferences but also shows significant generalizability to preferences unseen during training and scalability across different base models. This work advances the capability of LLMs to meet user needs in real-time applications, presenting a substantial step forward in personalized LLM alignment.

Domain Adaptation (DA) is important for deep learning-based medical image segmentation models to deal with testing images from a new target domain. As the source-domain data are usually unavailable when a trained model is deployed at a new center, Source-Free Domain Adaptation (SFDA) is appealing for data and annotation-efficient adaptation to the target domain. However, existing SFDA methods have a limited performance due to lack of sufficient supervision with source-domain images unavailable and target-domain images unlabeled. We propose a novel Uncertainty-aware Pseudo Label guided (UPL) SFDA method for medical image segmentation. Specifically, we propose Target Domain Growing (TDG) to enhance the diversity of predictions in the target domain by duplicating the pre-trained model's prediction head multiple times with perturbations. The different predictions in these duplicated heads are used to obtain pseudo labels for unlabeled target-domain images and their uncertainty to identify reliable pseudo labels. We also propose a Twice Forward pass Supervision (TFS) strategy that uses reliable pseudo labels obtained in one forward pass to supervise predictions in the next forward pass. The adaptation is further regularized by a mean prediction-based entropy minimization term that encourages confident and consistent results in different prediction heads. UPL-SFDA was validated with a multi-site heart MRI segmentation dataset, a cross-modality fetal brain segmentation dataset, and a 3D fetal tissue segmentation dataset. It improved the average Dice by 5.54, 5.01 and 6.89 percentage points for the three tasks compared with the baseline, respectively, and outperformed several state-of-the-art SFDA methods.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

Attention heads are one of the building blocks of large language models (LLMs). Prior work on investigating their operation mostly focused on analyzing their behavior during inference for specific circuits or tasks. In this work, we seek a comprehensive mapping of the operations they implement in a model. We propose MAPS (Mapping Attention head ParameterS), an efficient framework that infers the functionality of attention heads from their parameters, without any model training or inference. We showcase the utility of MAPS for answering two types of questions: (a) given a predefined operation, mapping how strongly heads across the model implement it, and (b) given an attention head, inferring its salient functionality. Evaluating MAPS on 20 operations across 6 popular LLMs shows its estimations correlate with the head's outputs during inference and are causally linked to the model's predictions. Moreover, its mappings reveal attention heads of certain operations that were overlooked in previous studies, and valuable insights on function universality and architecture biases in LLMs. Next, we present an automatic pipeline and analysis that leverage MAPS to characterize the salient operations of a given head. Our pipeline produces plausible operation descriptions for most heads, as assessed by human judgment, while revealing diverse operations.

No experimental test precludes the possibility that the dark matter experiences forces beyond general relativity -- in fact, a variety of cosmic microwave background observations suggest greater late-time structure than predicted in the standard Lambda cold dark matter model. We show that minimal models of scalar-mediated forces between dark matter particles do not enhance the growth of unbiased tracers of structure: weak lensing observables depend on the total density perturbation, for which the enhanced growth of the density contrast in the matter era is cancelled by the more rapid dilution of the background dark matter density. Moreover, the same background-level effects imply that scenarios compatible with CMB temperature and polarization anisotropies in fact suppress structure growth, as fixing the distance to last scattering requires a substantially increased density of dark energy. Though massive mediators undo these effects upon oscillating, they suppress structure even further because their gravitational impact as nonclustering subcomponents of matter outweighs the enhanced clustering strength of dark matter. We support these findings with analytic insight that clarifies the physical impact of dark forces and explains how primary CMB measurements calibrate the model's predictions for low-redshift observables. We discuss implications for neutrino mass limits and other cosmological anomalies, and we also consider how nonminimal extensions of the model might be engineered to enhance structure.

Despite the success of Siamese encoder models such as sentence transformers (ST), little is known about the aspects of inputs they pay attention to. A barrier is that their predictions cannot be attributed to individual features, as they compare two inputs rather than processing a single one. This paper derives a local attribution method for Siamese encoders by generalizing the principle of integrated gradients to models with multiple inputs. The solution takes the form of feature-pair attributions, and can be reduced to a token-token matrix for STs. Our method involves the introduction of integrated Jacobians and inherits the advantageous formal properties of integrated gradients: it accounts for the model's full computation graph and is guaranteed to converge to the actual prediction. A pilot study shows that in an ST few token-pairs can often explain large fractions of predictions, and it focuses on nouns and verbs. For accurate predictions, it however needs to attend to the majority of tokens and parts of speech.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

The Shapley value is one of the most widely used measures of feature importance partly as it measures a feature's average effect on a model's prediction. We introduce joint Shapley values, which directly extend Shapley's axioms and intuitions: joint Shapley values measure a set of features' average contribution to a model's prediction. We prove the uniqueness of joint Shapley values, for any order of explanation. Results for games show that joint Shapley values present different insights from existing interaction indices, which assess the effect of a feature within a set of features. The joint Shapley values provide intuitive results in ML attribution problems. With binary features, we present a presence-adjusted global value that is more consistent with local intuitions than the usual approach.

Amid the expanding use of pre-training data, the phenomenon of benchmark dataset leakage has become increasingly prominent, exacerbated by opaque training processes and the often undisclosed inclusion of supervised data in contemporary Large Language Models (LLMs). This issue skews benchmark effectiveness and fosters potentially unfair comparisons, impeding the field's healthy development. To address this, we introduce a detection pipeline utilizing Perplexity and N-gram accuracy, two simple and scalable metrics that gauge a model's prediction precision on benchmark, to identify potential data leakages. By analyzing 31 LLMs under the context of mathematical reasoning, we reveal substantial instances of training even test set misuse, resulting in potentially unfair comparisons. These findings prompt us to offer several recommendations regarding model documentation, benchmark setup, and future evaluations. Notably, we propose the "Benchmark Transparency Card" to encourage clear documentation of benchmark utilization, promoting transparency and healthy developments of LLMs. we have made our leaderboard, pipeline implementation, and model predictions publicly available, fostering future research.

The Mutual Reinforcement Effect (MRE) investigates the synergistic relationship between word-level and text-level classifications in text classification tasks. It posits that the performance of both classification levels can be mutually enhanced. However, this mechanism has not been adequately demonstrated or explained in prior research. To address this gap, we employ empirical experiment to observe and substantiate the MRE theory. Our experiments on 21 MRE mix datasets revealed the presence of MRE in the model and its impact. Specifically, we conducted compare experiments use fine-tune. The results of findings from comparison experiments corroborates the existence of MRE. Furthermore, we extended the application of MRE to prompt learning, utilizing word-level information as a verbalizer to bolster the model's prediction of text-level classification labels. In our final experiment, the F1-score significantly surpassed the baseline in 18 out of 21 MRE Mix datasets, further validating the notion that word-level information enhances the language model's comprehension of the text as a whole.

Various XAI attribution methods have been recently proposed for the transformer architecture, allowing for insights into the decision-making process of large language models by assigning importance scores to input tokens and intermediate representations. One class of methods that seems very promising in this direction includes decomposition-based approaches, i.e., XAI-methods that redistribute the model's prediction logit through the network, as this value is directly related to the prediction. In the previous literature we note though that two prominent methods of this category, namely ALTI-Logit and LRP, have not yet been analyzed in juxtaposition and hence we propose to close this gap by conducting a careful quantitative evaluation w.r.t. ground truth annotations on a subject-verb agreement task, as well as various qualitative inspections, using BERT, GPT-2 and LLaMA-3 as a testbed. Along the way we compare and extend the ALTI-Logit and LRP methods, including the recently proposed AttnLRP variant, from an algorithmic and implementation perspective. We further incorporate in our benchmark two widely-used gradient-based attribution techniques. Finally, we make our carefullly constructed benchmark dataset for evaluating attributions on language models, as well as our code, publicly available in order to foster evaluation of XAI-methods on a well-defined common ground.

Retrieval-augmented generation (RAG) has emerged as a popular solution to mitigate the hallucination issues of large language models. However, existing studies on RAG seldom address the issue of predictive uncertainty, i.e., how likely it is that a RAG model's prediction is incorrect, resulting in uncontrollable risks in real-world applications. In this work, we emphasize the importance of risk control, ensuring that RAG models proactively refuse to answer questions with low confidence. Our research identifies two critical latent factors affecting RAG's confidence in its predictions: the quality of the retrieved results and the manner in which these results are utilized. To guide RAG models in assessing their own confidence based on these two latent factors, we develop a counterfactual prompting framework that induces the models to alter these factors and analyzes the effect on their answers. We also introduce a benchmarking procedure to collect answers with the option to abstain, facilitating a series of experiments. For evaluation, we introduce several risk-related metrics and the experimental results demonstrate the effectiveness of our approach.

Multi-choice questions (MCQs) serve as a common yet important task format in the research of large language models (LLMs). Our work shows that LLMs exhibit an inherent "selection bias" in MCQs, which refers to LLMs' preferences to select options located at specific positions (like "Option C"). This bias is prevalent across various LLMs, making their performance vulnerable to option position changes in MCQs. We identify that one primary cause resulting in selection bias is option numbering, i.e., the ID symbols A/B/C/D associated with the options. To mitigate selection bias, we propose a new method called PriDe. PriDe first decomposes the observed model prediction distribution into an intrinsic prediction over option contents and a prior distribution over option IDs. It then estimates the prior by permutating option contents on a small number of test samples, which is used to debias the subsequent test samples. We demonstrate that, as a label-free, inference-time method, PriDe achieves a more effective and computation-efficient debiasing than strong baselines. We further show that the priors estimated by PriDe generalize well across different domains, highlighting its practical potential in broader scenarios.

In this paper, we study the problem of generating obstinate (over-stability) adversarial examples by word substitution in NLP, where input text is meaningfully changed but the model's prediction does not, even though it should. Previous word substitution approaches have predominantly focused on manually designed antonym-based strategies for generating obstinate adversarial examples, which hinders its application as these strategies can only find a subset of obstinate adversarial examples and require human efforts. To address this issue, in this paper, we introduce a novel word substitution method named GradObstinate, a gradient-based approach that automatically generates obstinate adversarial examples without any constraints on the search space or the need for manual design principles. To empirically evaluate the efficacy of GradObstinate, we conduct comprehensive experiments on five representative models (Electra, ALBERT, Roberta, DistillBERT, and CLIP) finetuned on four NLP benchmarks (SST-2, MRPC, SNLI, and SQuAD) and a language-grounding benchmark (MSCOCO). Extensive experiments show that our proposed GradObstinate generates more powerful obstinate adversarial examples, exhibiting a higher attack success rate compared to antonym-based methods. Furthermore, to show the transferability of obstinate word substitutions found by GradObstinate, we replace the words in four representative NLP benchmarks with their obstinate substitutions. Notably, obstinate substitutions exhibit a high success rate when transferred to other models in black-box settings, including even GPT-3 and ChatGPT. Examples of obstinate adversarial examples found by GradObstinate are available at https://huggingface.co/spaces/anonauthors/SecretLanguage.

When deploying machine learning models in high-stakes real-world environments such as health care, it is crucial to accurately assess the uncertainty concerning a model's prediction on abnormal inputs. However, there is a scarcity of literature analyzing this problem on medical data, especially on mixed-type tabular data such as Electronic Health Records. We close this gap by presenting a series of tests including a large variety of contemporary uncertainty estimation techniques, in order to determine whether they are able to identify out-of-distribution (OOD) patients. In contrast to previous work, we design tests on realistic and clinically relevant OOD groups, and run experiments on real-world medical data. We find that almost all techniques fail to achieve convincing results, partly disagreeing with earlier findings.

This paper presents an innovative approach to enhance control over audio generation by emphasizing the alignment between audio and text representations during model training. In the context of language model-based audio generation, the model leverages input from both textual and audio token representations to predict subsequent audio tokens. However, the current configuration lacks explicit regularization to ensure the alignment between the chosen text representation and the language model's predictions. Our proposal involves the incorporation of audio and text representation regularization, particularly during the classifier-free guidance (CFG) phase, where the text condition is excluded from cross attention during language model training. The aim of this proposed representation regularization is to minimize discrepancies in audio and text similarity compared to other samples within the same training batch. Experimental results on both music and audio generation tasks demonstrate that our proposed methods lead to improvements in objective metrics for both audio and music generation, as well as an enhancement in the human perception for audio generation.

Within the context of Natural Language Processing (NLP), fairness evaluation is often associated with the assessment of bias and reduction of associated harm. In this regard, the evaluation is usually carried out by using a benchmark dataset, for a task such as Question Answering, created for the measurement of bias in the model's predictions along various dimensions, including gender identity. In our work, we evaluate gender bias in German Large Language Models (LLMs) using the Bias Benchmark for Question Answering by Parrish et al. (2022) as a reference. Specifically, the templates in the gender identity subset of this English dataset were machine translated into German. The errors in the machine translated templates were then manually reviewed and corrected with the help of a language expert. We find that manual revision of the translation is crucial when creating datasets for gender bias evaluation because of the limitations of machine translation from English to a language such as German with grammatical gender. Our final dataset is comprised of two subsets: Subset-I, which consists of group terms related to gender identity, and Subset-II, where group terms are replaced with proper names. We evaluate several LLMs used for German NLP on this newly created dataset and report the accuracy and bias scores. The results show that all models exhibit bias, both along and against existing social stereotypes.

The generalization and learning speed of a multi-class neural network can often be significantly improved by using soft targets that are a weighted average of the hard targets and the uniform distribution over labels. Smoothing the labels in this way prevents the network from becoming over-confident and label smoothing has been used in many state-of-the-art models, including image classification, language translation and speech recognition. Despite its widespread use, label smoothing is still poorly understood. Here we show empirically that in addition to improving generalization, label smoothing improves model calibration which can significantly improve beam-search. However, we also observe that if a teacher network is trained with label smoothing, knowledge distillation into a student network is much less effective. To explain these observations, we visualize how label smoothing changes the representations learned by the penultimate layer of the network. We show that label smoothing encourages the representations of training examples from the same class to group in tight clusters. This results in loss of information in the logits about resemblances between instances of different classes, which is necessary for distillation, but does not hurt generalization or calibration of the model's predictions.

Real-time assessment of near-term Air Traffic Controller (ATCO) task demand is a critical challenge in an increasingly crowded airspace, as existing complexity metrics often fail to capture nuanced operational drivers beyond simple aircraft counts. This work introduces an interpretable Graph Neural Network (GNN) framework to address this gap. Our attention-based model predicts the number of upcoming clearances, the instructions issued to aircraft by ATCOs, from interactions within static traffic scenarios. Crucially, we derive an interpretable, per-aircraft task demand score by systematically ablating aircraft and measuring the impact on the model's predictions. Our framework significantly outperforms an ATCO-inspired heuristic and is a more reliable estimator of scenario complexity than established baselines. The resulting tool can attribute task demand to specific aircraft, offering a new way to analyse and understand the drivers of complexity for applications in controller training and airspace redesign.

To interpret Vision Transformers, post-hoc explanations assign salience scores to input pixels, providing human-understandable heatmaps. However, whether these interpretations reflect true rationales behind the model's output is still underexplored. To address this gap, we study the faithfulness criterion of explanations: the assigned salience scores should represent the influence of the corresponding input pixels on the model's predictions. To evaluate faithfulness, we introduce Salience-guided Faithfulness Coefficient (SaCo), a novel evaluation metric leveraging essential information of salience distribution. Specifically, we conduct pair-wise comparisons among distinct pixel groups and then aggregate the differences in their salience scores, resulting in a coefficient that indicates the explanation's degree of faithfulness. Our explorations reveal that current metrics struggle to differentiate between advanced explanation methods and Random Attribution, thereby failing to capture the faithfulness property. In contrast, our proposed SaCo offers a reliable faithfulness measurement, establishing a robust metric for interpretations. Furthermore, our SaCo demonstrates that the use of gradient and multi-layer aggregation can markedly enhance the faithfulness of attention-based explanation, shedding light on potential paths for advancing Vision Transformer explainability.

This research paper presents an innovative multi-task learning framework that allows concurrent depth estimation and semantic segmentation using a single camera. The proposed approach is based on a shared encoder-decoder architecture, which integrates various techniques to improve the accuracy of the depth estimation and semantic segmentation task without compromising computational efficiency. Additionally, the paper incorporates an adversarial training component, employing a Wasserstein GAN framework with a critic network, to refine model's predictions. The framework is thoroughly evaluated on two datasets - the outdoor Cityscapes dataset and the indoor NYU Depth V2 dataset - and it outperforms existing state-of-the-art methods in both segmentation and depth estimation tasks. We also conducted ablation studies to analyze the contributions of different components, including pre-training strategies, the inclusion of critics, the use of logarithmic depth scaling, and advanced image augmentations, to provide a better understanding of the proposed framework. The accompanying source code is accessible at https://github.com/PardisTaghavi/SwinMTL.

In order to enhance the performance of language models while mitigating the risks of generating harmful content, it is crucial to identify which training dataset affects the model's outputs. Ideally, we can measure the influence of each dataset by removing it from training; however, it is prohibitively expensive to retrain a model multiple times. This paper presents UnTrac, which estimates the influence of a training dataset by unlearning it from the trained model. UnTrac is extremely simple; each training dataset is unlearned by gradient ascent, and we evaluate how much the model's predictions change after unlearning. We empirically examine if our methods can assess the influence of pretraining datasets on generating toxic, biased, and untruthful content. Experimental results demonstrate that our method estimates their influence much more accurately than existing methods while requiring neither excessive memory space nor multiple model checkpoints.

The disparity in accuracy between classes in standard training is amplified during adversarial training, a phenomenon termed the robust fairness problem. Existing methodologies aimed to enhance robust fairness by sacrificing the model's performance on easier classes in order to improve its performance on harder ones. However, we observe that under adversarial attacks, the majority of the model's predictions for samples from the worst class are biased towards classes similar to the worst class, rather than towards the easy classes. Through theoretical and empirical analysis, we demonstrate that robust fairness deteriorates as the distance between classes decreases. Motivated by these insights, we introduce the Distance-Aware Fair Adversarial training (DAFA) methodology, which addresses robust fairness by taking into account the similarities between classes. Specifically, our method assigns distinct loss weights and adversarial margins to each class and adjusts them to encourage a trade-off in robustness among similar classes. Experimental results across various datasets demonstrate that our method not only maintains average robust accuracy but also significantly improves the worst robust accuracy, indicating a marked improvement in robust fairness compared to existing methods.

Misclassification detection is an important problem in machine learning, as it allows for the identification of instances where the model's predictions are unreliable. However, conventional uncertainty measures such as Shannon entropy do not provide an effective way to infer the real uncertainty associated with the model's predictions. In this paper, we introduce a novel data-driven measure of uncertainty relative to an observer for misclassification detection. By learning patterns in the distribution of soft-predictions, our uncertainty measure can identify misclassified samples based on the predicted class probabilities. Interestingly, according to the proposed measure, soft-predictions corresponding to misclassified instances can carry a large amount of uncertainty, even though they may have low Shannon entropy. We demonstrate empirical improvements over multiple image classification tasks, outperforming state-of-the-art misclassification detection methods.

Deep learning offers state of the art solutions for image recognition. However, deep models are vulnerable to adversarial perturbations in images that are subtle but significantly change the model's prediction. In a white-box attack, these perturbations are generally learned for deep models that operate on RGB images and, hence, the perturbations are equally distributed in the RGB color space. In this paper, we show that the adversarial perturbations prevail in the Y-channel of the YCbCr space. Our finding is motivated from the fact that the human vision and deep models are more responsive to shape and texture rather than color. Based on our finding, we propose a defense against adversarial images. Our defence, coined ResUpNet, removes perturbations only from the Y-channel by exploiting ResNet features in an upsampling framework without the need for a bottleneck. At the final stage, the untouched CbCr-channels are combined with the refined Y-channel to restore the clean image. Note that ResUpNet is model agnostic as it does not modify the DNN structure. ResUpNet is trained end-to-end in Pytorch and the results are compared to existing defence techniques in the input transformation category. Our results show that our approach achieves the best balance between defence against adversarial attacks such as FGSM, PGD and DDN and maintaining the original accuracies of VGG-16, ResNet50 and DenseNet121 on clean images. We perform another experiment to show that learning adversarial perturbations only for the Y-channel results in higher fooling rates for the same perturbation magnitude.

An emerging solution for explaining Transformer-based models is to use vector-based analysis on how the representations are formed. However, providing a faithful vector-based explanation for a multi-layer model could be challenging in three aspects: (1) Incorporating all components into the analysis, (2) Aggregating the layer dynamics to determine the information flow and mixture throughout the entire model, and (3) Identifying the connection between the vector-based analysis and the model's predictions. In this paper, we present DecompX to tackle these challenges. DecompX is based on the construction of decomposed token representations and their successive propagation throughout the model without mixing them in between layers. Additionally, our proposal provides multiple advantages over existing solutions for its inclusion of all encoder components (especially nonlinear feed-forward networks) and the classification head. The former allows acquiring precise vectors while the latter transforms the decomposition into meaningful prediction-based values, eliminating the need for norm- or summation-based vector aggregation. According to the standard faithfulness evaluations, DecompX consistently outperforms existing gradient-based and vector-based approaches on various datasets. Our code is available at https://github.com/mohsenfayyaz/DecompX.

Large amounts of training data are one of the major reasons for the high performance of state-of-the-art NLP models. But what exactly in the training data causes a model to make a certain prediction? We seek to answer this question by providing a language for describing how training data influences predictions, through a causal framework. Importantly, our framework bypasses the need to retrain expensive models and allows us to estimate causal effects based on observational data alone. Addressing the problem of extracting factual knowledge from pretrained language models (PLMs), we focus on simple data statistics such as co-occurrence counts and show that these statistics do influence the predictions of PLMs, suggesting that such models rely on shallow heuristics. Our causal framework and our results demonstrate the importance of studying datasets and the benefits of causality for understanding NLP models.

This paper presents a novel technique for accelerating inference in large, pre-trained language models (LLMs) by introducing early exits during inference. The computational demands of these models, used across a wide range of applications, can be substantial. By capitalizing on the inherent variability in token complexity, our approach enables selective acceleration of the inference process. Specifically, we propose the integration of early exit ''heads'' atop existing transformer layers, which facilitate conditional terminations based on a confidence metric. These heads are trained in a self-supervised manner using the model's own predictions as training data, thereby eliminating the need for additional annotated data. The confidence metric, established using a calibration set, ensures a desired level of accuracy while enabling early termination when confidence exceeds a predetermined threshold. Notably, our method preserves the original accuracy and reduces computational time on certain tasks, leveraging the existing knowledge of pre-trained LLMs without requiring extensive retraining. This lightweight, modular modification has the potential to greatly enhance the practical usability of LLMs, particularly in applications like real-time language processing in resource-constrained environments.

Efficient and accurate motion prediction is crucial for ensuring safety and informed decision-making in autonomous driving, particularly under dynamic real-world conditions that necessitate multi-modal forecasts. We introduce TrajFlow, a novel flow matching-based motion prediction framework that addresses the scalability and efficiency challenges of existing generative trajectory prediction methods. Unlike conventional generative approaches that employ i.i.d. sampling and require multiple inference passes to capture diverse outcomes, TrajFlow predicts multiple plausible future trajectories in a single pass, significantly reducing computational overhead while maintaining coherence across predictions. Moreover, we propose a ranking loss based on the Plackett-Luce distribution to improve uncertainty estimation of predicted trajectories. Additionally, we design a self-conditioning training technique that reuses the model's own predictions to construct noisy inputs during a second forward pass, thereby improving generalization and accelerating inference. Extensive experiments on the large-scale Waymo Open Motion Dataset (WOMD) demonstrate that TrajFlow achieves state-of-the-art performance across various key metrics, underscoring its effectiveness for safety-critical autonomous driving applications. The code and other details are available on the project website https://traj-flow.github.io/.

Large language models (LLMs) are trained on massive internet corpora that often contain copyrighted content. This poses legal and ethical challenges for the developers and users of these models, as well as the original authors and publishers. In this paper, we propose a novel technique for unlearning a subset of the training data from a LLM, without having to retrain it from scratch. We evaluate our technique on the task of unlearning the Harry Potter books from the Llama2-7b model (a generative language model recently open-sourced by Meta). While the model took over 184K GPU-hours to pretrain, we show that in about 1 GPU hour of finetuning, we effectively erase the model's ability to generate or recall Harry Potter-related content, while its performance on common benchmarks (such as Winogrande, Hellaswag, arc, boolq and piqa) remains almost unaffected. We make our fine-tuned model publicly available on HuggingFace for community evaluation. To the best of our knowledge, this is the first paper to present an effective technique for unlearning in generative language models. Our technique consists of three main components: First, we use a reinforced model that is further trained on the target data to identify the tokens that are most related to the unlearning target, by comparing its logits with those of a baseline model. Second, we replace idiosyncratic expressions in the target data with generic counterparts, and leverage the model's own predictions to generate alternative labels for every token. These labels aim to approximate the next-token predictions of a model that has not been trained on the target data. Third, we finetune the model on these alternative labels, which effectively erases the original text from the model's memory whenever it is prompted with its context.

We train models to Predict Ego-centric Video from human Actions (PEVA), given the past video and an action represented by the relative 3D body pose. By conditioning on kinematic pose trajectories, structured by the joint hierarchy of the body, our model learns to simulate how physical human actions shape the environment from a first-person point of view. We train an auto-regressive conditional diffusion transformer on Nymeria, a large-scale dataset of real-world egocentric video and body pose capture. We further design a hierarchical evaluation protocol with increasingly challenging tasks, enabling a comprehensive analysis of the model's embodied prediction and control abilities. Our work represents an initial attempt to tackle the challenges of modeling complex real-world environments and embodied agent behaviors with video prediction from the perspective of a human.

Generating accurate and calibrated confidence estimates is critical for deploying LLMs in high-stakes or user-facing applications, and remains an open challenge. Prior research has often framed confidence as a problem of eliciting a model's "self-knowledge", i.e., the ability of an LLM to judge whether its own answers are correct; this approach implicitly assumes that there is some privileged information about the answer's correctness that is accessible to the model itself. However, our experiments reveal that an LLM attempting to predict the correctness of its own outputs generally performs no better than an unrelated LLM. Moreover, we hypothesize that a key factor in building a "Correctness Model" (CM) is exposure to a target model's historical predictions. We propose multiple methods to inject this historical correctness information, creating a Generalized Correctness Model (GCM). We first show that GCMs can be trained on the correctness data from many LLMs and learn patterns for correctness prediction applicable across datasets and models. We then use CMs as a lens for studying the source of correctness prediction ability and its generalization, systematically controlling their training data and finding that answer phrasing is a strong predictor for correctness. We further explore alternative methods of injecting history without training an LLM, finding that including history as in-context examples can help improve correctness prediction, and post-hoc calibration can provide complementary reductions in calibration error. We evaluate GCMs based on Qwen3-8B across 5 model families and the MMLU and TriviaQA datasets, as well as on a downstream selective prediction task, finding that reliable LLM confidence estimation is a generalizable and model-agnostic skill learned by systematically encoding correctness history rather than a model-specific skill reliant on self-introspection.

Aligning large language models with human objectives is paramount, yet common approaches including RLHF suffer from unstable and resource-intensive training. In response to this challenge, we introduce ARGS, Alignment as Reward-Guided Search, a novel framework that integrates alignment into the decoding process, eliminating the need for expensive RL training. By adjusting the model's probabilistic predictions using a reward signal, ARGS generates texts with semantic diversity while being aligned with human preferences, offering a promising and flexible solution for aligning language models. Notably, ARGS demonstrates consistent enhancements in average reward compared to baselines across diverse alignment tasks and various model dimensions. For example, under the same greedy-based decoding strategy, our method improves the average reward by 19.56% relative to the baseline and secures a preference or tie score of 64.33% in GPT-4 evaluation. We believe that our framework, emphasizing decoding-time alignment, paves the way for more responsive language models in the future. Code is publicly available at: https://github.com/deeplearning-wisc/args.

Automatic dependency parsing of Thai sentences has been underexplored, as evidenced by the lack of large Thai dependency treebanks with complete dependency structures and the lack of a published systematic evaluation of state-of-the-art models, especially transformer-based parsers. In this work, we address these problems by introducing Thai Universal Dependency Treebank (TUD), a new largest Thai treebank consisting of 3,627 trees annotated in accordance with the Universal Dependencies (UD) framework. We then benchmark dependency parsing models that incorporate pretrained transformers as encoders and train them on Thai-PUD and our TUD. The evaluation results show that most of our models can outperform other models reported in previous papers and provide insight into the optimal choices of components to include in Thai dependency parsers. The new treebank and every model's full prediction generated in our experiment are made available on a GitHub repository for further study.

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

Speculative decoding has demonstrated its effectiveness in accelerating the inference of large language models while maintaining a consistent sampling distribution. However, the conventional approach of training a separate draft model to achieve a satisfactory token acceptance rate can be costly. Drawing inspiration from early exiting, we propose a novel self-speculative decoding framework Kangaroo, which uses a fixed shallow sub-network as a self-draft model, with the remaining layers serving as the larger target model. We train a lightweight and efficient adapter module on top of the sub-network to bridge the gap between the sub-network and the full model's representation ability. It is noteworthy that the inference latency of the self-draft model may no longer be negligible compared to the large model, necessitating strategies to increase the token acceptance rate while minimizing the drafting steps of the small model. To address this challenge, we introduce an additional early exiting mechanism for generating draft tokens. Specifically, we halt the small model's subsequent prediction during the drafting phase once the confidence level for the current token falls below a certain threshold. Extensive experiments on the Spec-Bench demonstrate the effectiveness of Kangaroo. Under single-sequence verification, Kangaroo achieves speedups up to 1.68times on Spec-Bench, outperforming Medusa-1 with 88.7\% fewer additional parameters (67M compared to 591M). The code for Kangaroo is available at https://github.com/Equationliu/Kangaroo.

The recent emergence of Large Language Models based on the Transformer architecture has enabled dramatic advancements in the field of Natural Language Processing. However, these models have long inference latency, which limits their deployment and makes them prohibitively expensive for various real-time applications. The inference latency is further exacerbated by autoregressive generative tasks, as models need to run iteratively to generate tokens sequentially without leveraging token-level parallelization. To address this, we propose Big Little Decoder (BiLD), a framework that can improve inference efficiency and latency for a wide range of text generation applications. The BiLD framework contains two models with different sizes that collaboratively generate text. The small model runs autoregressively to generate text with a low inference cost, and the large model is only invoked occasionally to refine the small model's inaccurate predictions in a non-autoregressive manner. To coordinate the small and large models, BiLD introduces two simple yet effective policies: (1) the fallback policy that determines when to hand control over to the large model; and (2) the rollback policy that determines when the large model needs to correct the small model's inaccurate predictions. To evaluate our framework across different tasks and models, we apply BiLD to various text generation scenarios encompassing machine translation on IWSLT 2017 De-En and WMT 2014 De-En, and summarization on XSUM and CNN/DailyMail. On an NVIDIA T4 GPU, our framework achieves a speedup of up to 2.12x speedup with minimal generation quality degradation. Furthermore, our framework is fully plug-and-play and can be applied without any modifications in the training process or model architecture. Our code is open-sourced

The generalization capability of deep neural networks has been substantially improved by applying a wide spectrum of regularization methods, e.g., restricting function space, injecting randomness during training, augmenting data, etc. In this work, we propose a simple yet effective regularization method named progressive self-knowledge distillation (PS-KD), which progressively distills a model's own knowledge to soften hard targets (i.e., one-hot vectors) during training. Hence, it can be interpreted within a framework of knowledge distillation as a student becomes a teacher itself. Specifically, targets are adjusted adaptively by combining the ground-truth and past predictions from the model itself. We show that PS-KD provides an effect of hard example mining by rescaling gradients according to difficulty in classifying examples. The proposed method is applicable to any supervised learning tasks with hard targets and can be easily combined with existing regularization methods to further enhance the generalization performance. Furthermore, it is confirmed that PS-KD achieves not only better accuracy, but also provides high quality of confidence estimates in terms of calibration as well as ordinal ranking. Extensive experimental results on three different tasks, image classification, object detection, and machine translation, demonstrate that our method consistently improves the performance of the state-of-the-art baselines. The code is available at https://github.com/lgcnsai/PS-KD-Pytorch.

We analyze the storage and recall of factual associations in autoregressive transformer language models, finding evidence that these associations correspond to localized, directly-editable computations. We first develop a causal intervention for identifying neuron activations that are decisive in a model's factual predictions. This reveals a distinct set of steps in middle-layer feed-forward modules that mediate factual predictions while processing subject tokens. To test our hypothesis that these computations correspond to factual association recall, we modify feed-forward weights to update specific factual associations using Rank-One Model Editing (ROME). We find that ROME is effective on a standard zero-shot relation extraction (zsRE) model-editing task, comparable to existing methods. To perform a more sensitive evaluation, we also evaluate ROME on a new dataset of counterfactual assertions, on which it simultaneously maintains both specificity and generalization, whereas other methods sacrifice one or another. Our results confirm an important role for mid-layer feed-forward modules in storing factual associations and suggest that direct manipulation of computational mechanisms may be a feasible approach for model editing. The code, dataset, visualizations, and an interactive demo notebook are available at https://rome.baulab.info/

Classifier-free Guidance (CFG) is a widely used technique in modern diffusion models for enhancing sample quality and prompt adherence. However, through an empirical analysis on Gaussian mixture modeling with a closed-form solution, we observe a discrepancy between the suboptimal results produced by CFG and the ground truth. The model's excessive reliance on these suboptimal predictions often leads to semantic incoherence and low-quality outputs. To address this issue, we first empirically demonstrate that the model's suboptimal predictions can be effectively refined using sub-networks of the model itself. Building on this insight, we propose S^2-Guidance, a novel method that leverages stochastic block-dropping during the forward process to construct stochastic sub-networks, effectively guiding the model away from potential low-quality predictions and toward high-quality outputs. Extensive qualitative and quantitative experiments on text-to-image and text-to-video generation tasks demonstrate that S^2-Guidance delivers superior performance, consistently surpassing CFG and other advanced guidance strategies. Our code will be released.

This paper explores the limits of the current generation of large language models for program synthesis in general purpose programming languages. We evaluate a collection of such models (with between 244M and 137B parameters) on two new benchmarks, MBPP and MathQA-Python, in both the few-shot and fine-tuning regimes. Our benchmarks are designed to measure the ability of these models to synthesize short Python programs from natural language descriptions. The Mostly Basic Programming Problems (MBPP) dataset contains 974 programming tasks, designed to be solvable by entry-level programmers. The MathQA-Python dataset, a Python version of the MathQA benchmark, contains 23914 problems that evaluate the ability of the models to synthesize code from more complex text. On both datasets, we find that synthesis performance scales log-linearly with model size. Our largest models, even without finetuning on a code dataset, can synthesize solutions to 59.6 percent of the problems from MBPP using few-shot learning with a well-designed prompt. Fine-tuning on a held-out portion of the dataset improves performance by about 10 percentage points across most model sizes. On the MathQA-Python dataset, the largest fine-tuned model achieves 83.8 percent accuracy. Going further, we study the model's ability to engage in dialog about code, incorporating human feedback to improve its solutions. We find that natural language feedback from a human halves the error rate compared to the model's initial prediction. Additionally, we conduct an error analysis to shed light on where these models fall short and what types of programs are most difficult to generate. Finally, we explore the semantic grounding of these models by fine-tuning them to predict the results of program execution. We find that even our best models are generally unable to predict the output of a program given a specific input.

3D scene reconstruction is a long-standing vision task. Existing approaches can be categorized into geometry-based and learning-based methods. The former leverages multi-view geometry but can face catastrophic failures due to the reliance on accurate pixel correspondence across views. The latter was proffered to mitigate these issues by learning 2D or 3D representation directly. However, without a large-scale video or 3D training data, it can hardly generalize to diverse real-world scenarios due to the presence of tens of millions or even billions of optimization parameters in the deep network. Recently, robust monocular depth estimation models trained with large-scale datasets have been proven to possess weak 3D geometry prior, but they are insufficient for reconstruction due to the unknown camera parameters, the affine-invariant property, and inter-frame inconsistency. Here, we propose a novel test-time optimization approach that can transfer the robustness of affine-invariant depth models such as LeReS to challenging diverse scenes while ensuring inter-frame consistency, with only dozens of parameters to optimize per video frame. Specifically, our approach involves freezing the pre-trained affine-invariant depth model's depth predictions, rectifying them by optimizing the unknown scale-shift values with a geometric consistency alignment module, and employing the resulting scale-consistent depth maps to robustly obtain camera poses and achieve dense scene reconstruction, even in low-texture regions. Experiments show that our method achieves state-of-the-art cross-dataset reconstruction on five zero-shot testing datasets.

The Transformer architecture has emerged as the dominant choice for building large language models (LLMs). However, with new LLMs emerging on a frequent basis, it is important to consider the potential value of architecture-agnostic approaches that can provide interpretability across a variety of architectures. Despite recent successes in the interpretability of LLMs, many existing approaches rely on complex methods that are often tied to a specific model design and come with a significant computational cost. To address these limitations, we propose a novel technique, called NormXLogit, for assessing the significance of individual input tokens. This method operates based on the input and output representations associated with each token. First, we demonstrate that during the pre-training of LLMs, the norms of word embeddings capture the importance of input tokens. Second, we reveal a significant relationship between a token's importance and the extent to which its representation can resemble the model's final prediction. Through extensive analysis, we show that our approach consistently outperforms existing gradient-based methods in terms of faithfulness. Additionally, our method achieves better performance in layer-wise explanations compared to the most prominent architecture-specific methods.

Text-to-video diffusion models are notoriously limited in their ability to model temporal aspects such as motion, physics, and dynamic interactions. Existing approaches address this limitation by retraining the model or introducing external conditioning signals to enforce temporal consistency. In this work, we explore whether a meaningful temporal representation can be extracted directly from the predictions of a pre-trained model without any additional training or auxiliary inputs. We introduce FlowMo, a novel training-free guidance method that enhances motion coherence using only the model's own predictions in each diffusion step. FlowMo first derives an appearance-debiased temporal representation by measuring the distance between latents corresponding to consecutive frames. This highlights the implicit temporal structure predicted by the model. It then estimates motion coherence by measuring the patch-wise variance across the temporal dimension and guides the model to reduce this variance dynamically during sampling. Extensive experiments across multiple text-to-video models demonstrate that FlowMo significantly improves motion coherence without sacrificing visual quality or prompt alignment, offering an effective plug-and-play solution for enhancing the temporal fidelity of pre-trained video diffusion models.

In-context learning (ICL) has transformed the use of large language models (LLMs) for NLP tasks, enabling few-shot learning by conditioning on labeled examples without finetuning. Despite its effectiveness, ICL is prone to errors, especially for challenging examples. With the goal of improving the performance of ICL, we propose corrective in-context learning (CICL), an approach that incorporates a model's incorrect predictions alongside ground truth corrections into the prompt, aiming to enhance classification accuracy through self-correction. However, contrary to our hypothesis, extensive experiments on text classification tasks demonstrate that CICL consistently underperforms standard ICL, with performance degrading as the proportion of corrections in the prompt increases. Our findings indicate that CICL introduces confusion by disrupting the model's task understanding, rather than refining its predictions. Additionally, we observe that presenting harder examples in standard ICL does not improve performance, suggesting that example difficulty alone may not be a reliable criterion for effective selection. By presenting these negative results, we provide important insights into the limitations of self-corrective mechanisms in LLMs and offer directions for future research.

This paper presents a streaming extension for the Sortformer speaker diarization framework, whose key property is the arrival-time ordering of output speakers. The proposed approach employs an Arrival-Order Speaker Cache (AOSC) to store frame-level acoustic embeddings of previously observed speakers. Unlike conventional speaker-tracing buffers, AOSC orders embeddings by speaker index corresponding to their arrival time order, and is dynamically updated by selecting frames with the highest scores based on the model's past predictions. Notably, the number of stored embeddings per speaker is determined dynamically by the update mechanism, ensuring efficient cache utilization and precise speaker tracking. Experiments on benchmark datasets confirm the effectiveness and flexibility of our approach, even in low-latency setups. These results establish Streaming Sortformer as a robust solution for real-time multi-speaker tracking and a foundation for streaming multi-talker speech processing.

We propose Panoptic Lifting, a novel approach for learning panoptic 3D volumetric representations from images of in-the-wild scenes. Once trained, our model can render color images together with 3D-consistent panoptic segmentation from novel viewpoints. Unlike existing approaches which use 3D input directly or indirectly, our method requires only machine-generated 2D panoptic segmentation masks inferred from a pre-trained network. Our core contribution is a panoptic lifting scheme based on a neural field representation that generates a unified and multi-view consistent, 3D panoptic representation of the scene. To account for inconsistencies of 2D instance identifiers across views, we solve a linear assignment with a cost based on the model's current predictions and the machine-generated segmentation masks, thus enabling us to lift 2D instances to 3D in a consistent way. We further propose and ablate contributions that make our method more robust to noisy, machine-generated labels, including test-time augmentations for confidence estimates, segment consistency loss, bounded segmentation fields, and gradient stopping. Experimental results validate our approach on the challenging Hypersim, Replica, and ScanNet datasets, improving by 8.4, 13.8, and 10.6% in scene-level PQ over state of the art.

Generative models have become widely used in biomedical entity linking (BioEL) due to their excellent performance and efficient memory usage. However, these models are usually trained only with positive samples--entities that match the input mention's identifier--and do not explicitly learn from hard negative samples, which are entities that look similar but have different meanings. To address this limitation, we introduce ANGEL (Learning from Negative Samples in Generative Biomedical Entity Linking), the first framework that trains generative BioEL models using negative samples. Specifically, a generative model is initially trained to generate positive samples from the knowledge base for given input entities. Subsequently, both correct and incorrect outputs are gathered from the model's top-k predictions. The model is then updated to prioritize the correct predictions through direct preference optimization. Our models fine-tuned with ANGEL outperform the previous best baseline models by up to an average top-1 accuracy of 1.4% on five benchmarks. When incorporating our framework into pre-training, the performance improvement further increases to 1.7%, demonstrating its effectiveness in both the pre-training and fine-tuning stages. Our code is available at https://github.com/dmis-lab/ANGEL.

We present a data-driven, end-to-end approach to transaction-based dialog systems that performs at near-human levels in terms of verbal response quality and factual grounding accuracy. We show that two essential components of the system produce these results: a sufficiently large and diverse, in-domain labeled dataset, and a neural network-based, pre-trained model that generates both verbal responses and API call predictions. In terms of data, we introduce TicketTalk, a movie ticketing dialog dataset with 23,789 annotated conversations. The movie ticketing conversations range from completely open-ended and unrestricted to more structured, both in terms of their knowledge base, discourse features, and number of turns. In qualitative human evaluations, model-generated responses trained on just 10,000 TicketTalk dialogs were rated to "make sense" 86.5 percent of the time, almost the same as human responses in the same contexts. Our simple, API-focused annotation schema results in a much easier labeling task making it faster and more cost effective. It is also the key component for being able to predict API calls accurately. We handle factual grounding by incorporating API calls in the training data, allowing our model to learn which actions to take and when. Trained on the same 10,000-dialog set, the model's API call predictions were rated to be correct 93.9 percent of the time in our evaluations, surpassing the ratings for the corresponding human labels. We show how API prediction and response generation scores improve as the dataset size incrementally increases from 5000 to 21,000 dialogs. Our analysis also clearly illustrates the benefits of pre-training. We are publicly releasing the TicketTalk dataset with this paper to facilitate future work on transaction-based dialogs.

Existing ML-based atmospheric models are not suitable for climate prediction, which requires long-term stability and physical consistency. We present ACE (AI2 Climate Emulator), a 200M-parameter, autoregressive machine learning emulator of an existing comprehensive 100-km resolution global atmospheric model. The formulation of ACE allows evaluation of physical laws such as the conservation of mass and moisture. The emulator is stable for 100 years, nearly conserves column moisture without explicit constraints and faithfully reproduces the reference model's climate, outperforming a challenging baseline on over 90% of tracked variables. ACE requires nearly 100x less wall clock time and is 100x more energy efficient than the reference model using typically available resources. Without fine-tuning, ACE can stably generalize to a previously unseen historical sea surface temperature dataset.

PURPOSE: Subarachnoid hemorrhage (SAH) entails high morbidity and mortality rates. Convolutional neural networks (CNN), a form of deep learning, are capable of generating highly accurate predictions from imaging data. Our objective was to predict mortality in SAH patients by processing the initial CT scan on a CNN based algorithm. METHODS: Retrospective multicentric study of a consecutive cohort of patients with SAH between 2011-2022. Demographic, clinical and radiological variables were analyzed. Pre-processed baseline CT scan images were used as the input for training a CNN using AUCMEDI Framework. Our model's architecture leverages the DenseNet-121 structure, employing transfer learning principles. The output variable was mortality in the first three months. Performance of the model was evaluated by statistical parameters conventionally used in studies involving artificial intelligence methods. RESULTS: Images from 219 patients were processed, 175 for training and validation of the CNN and 44 for its evaluation. 52%(115/219) of patients were female, and the median age was 58(SD=13.06) years. 18.5%(39/219) were idiopathic SAH. Mortality rate was 28.5%(63/219). The model showed good accuracy at predicting mortality in SAH patients exclusively using the images of the initial CT scan (Accuracy=74%, F1=75% and AUC=82%). CONCLUSION: Modern image processing techniques based on AI and CNN make possible to predict mortality in SAH patients with high accuracy using CT scan images as the only input. These models might be optimized by including more data and patients resulting in better training, development and performance on tasks which are beyond the skills of conventional clinical knowledge.

Recent vision foundation models (VFMs), typically based on Vision Transformer (ViT), have significantly advanced numerous computer vision tasks. Despite their success in tasks focused solely on RGB images, the potential of VFMs in RGB-depth driving scene parsing remains largely under-explored. In this article, we take one step toward this emerging research area by investigating a feasible technique to fully exploit VFMs for generalizable RGB-depth driving scene parsing. Specifically, we explore the inherent characteristics of RGB and depth data, thereby presenting a Heterogeneous Feature Integration Transformer (HFIT). This network enables the efficient extraction and integration of comprehensive heterogeneous features without re-training ViTs. Relative depth prediction results from VFMs, used as inputs to the HFIT side adapter, overcome the limitations of the dependence on depth maps. Our proposed HFIT demonstrates superior performance compared to all other traditional single-modal and data-fusion scene parsing networks, pre-trained VFMs, and ViT adapters on the Cityscapes and KITTI Semantics datasets. We believe this novel strategy paves the way for future innovations in VFM-based data-fusion techniques for driving scene parsing. Our source code is publicly available at https://mias.group/HFIT.

We propose a Pose-Free Large Reconstruction Model (PF-LRM) for reconstructing a 3D object from a few unposed images even with little visual overlap, while simultaneously estimating the relative camera poses in ~1.3 seconds on a single A100 GPU. PF-LRM is a highly scalable method utilizing the self-attention blocks to exchange information between 3D object tokens and 2D image tokens; we predict a coarse point cloud for each view, and then use a differentiable Perspective-n-Point (PnP) solver to obtain camera poses. When trained on a huge amount of multi-view posed data of ~1M objects, PF-LRM shows strong cross-dataset generalization ability, and outperforms baseline methods by a large margin in terms of pose prediction accuracy and 3D reconstruction quality on various unseen evaluation datasets. We also demonstrate our model's applicability in downstream text/image-to-3D task with fast feed-forward inference. Our project website is at: https://totoro97.github.io/pf-lrm .

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

Entity linking is a prominent thread of research focused on structured data creation by linking spans of text to an ontology or knowledge source. We revisit the use of structured prediction for entity linking which classifies each individual input token as an entity, and aggregates the token predictions. Our system, called SpEL (Structured prediction for Entity Linking) is a state-of-the-art entity linking system that uses some new ideas to apply structured prediction to the task of entity linking including: two refined fine-tuning steps; a context sensitive prediction aggregation strategy; reduction of the size of the model's output vocabulary, and; we address a common problem in entity-linking systems where there is a training vs. inference tokenization mismatch. Our experiments show that we can outperform the state-of-the-art on the commonly used AIDA benchmark dataset for entity linking to Wikipedia. Our method is also very compute efficient in terms of number of parameters and speed of inference.

This work focuses on Clothes Changing Re-IDentification (CC-ReID) for the real world. Existing works perform well with high-quality (HQ) images, but struggle with low-quality (LQ) where we can have artifacts like pixelation, out-of-focus blur, and motion blur. These artifacts introduce noise to not only external biometric attributes (e.g. pose, body shape, etc.) but also corrupt the model's internal feature representation. Models usually cluster LQ image features together, making it difficult to distinguish between them, leading to incorrect matches. We propose a novel framework Robustness against Low-Quality (RLQ) to improve CC-ReID model on real-world data. RLQ relies on Coarse Attributes Prediction (CAP) and Task Agnostic Distillation (TAD) operating in alternate steps in a novel training mechanism. CAP enriches the model with external fine-grained attributes via coarse predictions, thereby reducing the effect of noisy inputs. On the other hand, TAD enhances the model's internal feature representation by bridging the gap between HQ and LQ features, via an external dataset through task-agnostic self-supervision and distillation. RLQ outperforms the existing approaches by 1.6%-2.9% Top-1 on real-world datasets like LaST, and DeepChange, while showing consistent improvement of 5.3%-6% Top-1 on PRCC with competitive performance on LTCC. *The code will be made public soon.*

In many industries, predicting metric outcomes of large systems is a fundamental problem, driven largely by traditional tabular regression. However, such methods struggle on complex systems data in the wild such as configuration files or system logs, where feature engineering is often infeasible. We propose text-to-text regression as a general, scalable alternative. For predicting resource efficiency on Borg, Google's massive compute cluster scheduling system, a 60M parameter encoder-decoder, trained from random initialization, achieves up to a near perfect 0.99 (0.9 average) rank correlation across the entire fleet, and 100x lower MSE than tabular approaches. The model also easily adapts to new tasks in only 500 few-shot examples and captures the densities of complex outcome distributions. Ablation studies highlight the importance of using encoders, increasing sequence length, and the model's inherent uncertainty quantification. These findings pave the way for universal simulators of real-world outcomes.

Large Language Models (LLMs) are discovered to suffer from accurately retrieving key information. To address this, we propose Mask-Enhanced Autoregressive Prediction (MEAP), a simple yet effective training paradigm that seamlessly integrates Masked Language Modeling (MLM) into Next-Token Prediction (NTP) to enhance the latter's in-context retrieval capabilities. Specifically, MEAP first randomly masks a small fraction of input tokens and then directly performs the standard next-token prediction autoregressive using a decoder-only Transformer. MEAP eliminates the need for bidirectional attention or encoder-decoder architectures for MLM, incurring no additional computational overhead during pre-training or inference. Intensive experiments demonstrate that MEAP substantially outperforms NTP on key information retrieval and long-context reasoning tasks, while performing on par or better on commonsense reasoning tasks. The benefits of MEAP also extend to supervised fine-tuning, where it shows remarkable advantages in lost-in-the-middle scenarios, outperforming NTP by 11.77 percentage points. Our analysis indicates that MEAP's effectiveness arises from its ability to promote more distinguishable attention scores by concentrating on a reduced set of non-masked tokens. This mechanism improves the model's focus on task-relevant signals while mitigating the influence of peripheral context. These findings position MEAP as a promising training paradigm for large language models.

Category-Agnostic Pose Estimation (CAPE) localizes keypoints across diverse object categories with a single model, using one or a few annotated support images. Recent works have shown that using a pose graph (i.e., treating keypoints as nodes in a graph rather than isolated points) helps handle occlusions and break symmetry. However, these methods assume a static pose graph with equal-weight edges, leading to suboptimal results. We introduce EdgeCape, a novel framework that overcomes these limitations by predicting the graph's edge weights which optimizes localization. To further leverage structural priors, we propose integrating Markovian Structural Bias, which modulates the self-attention interaction between nodes based on the number of hops between them. We show that this improves the model's ability to capture global spatial dependencies. Evaluated on the MP-100 benchmark, which includes 100 categories and over 20K images, EdgeCape achieves state-of-the-art results in the 1-shot setting and leads among similar-sized methods in the 5-shot setting, significantly improving keypoint localization accuracy. Our code is publicly available.

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ reinforcement learning for an extended ``thinking'' process, their reasoning can be verbose and lack relevance. We introduce AttriLens-Mol, an attribute-guided reinforcement learning framework for molecular property prediction with LLMs. AttriLens-Mol steers the model's reasoning by using: (1) a format reward encouraging attribute-based structured output, (2) a count reward to avoid enumerating irrelevant attributes, and (3) a rationality reward using advanced LLMs and RDKit to verify the relatedness of the generated attributes. This approach implicitly elicits the model's inherent knowledge of relevant molecular attributes during reasoning, enables making predictions for the molecular property more effectively. Experiments on both in-distribution and out-of-distribution datasets show that, training both 7B-size R1-Distilled-Qwen2.5 and R1-Distilled-LLaMA3.1 models on 4,000 samples with our proposed AttriLens-Mol method significantly boosts the performance, getting comparable or better results than supervised fine-tuning models (Mol-Instructions, ChemDFM, etc.) and advanced models (GPT-3.5, GPT-4o, DeepSeek-V3, DeepSeek-R1, etc.). Further, our extracted attributes for the target property, when used as features for an interpretable decision tree model, yield superior performance compared to attributes generated by prompting LLMs. This shows that AttriLens-Mol effectively elicits more relevant and predictive molecular attributes, leading to enhanced interpretability and performance for property prediction. We release the code in https://github.com/szu-tera/AttriLens-Mol.

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability to reconstruct biologically meaningful PPI networks, which is crucial for biology research. To address this gap, we introduce PRING, the first comprehensive benchmark that evaluates protein-protein interaction prediction from a graph-level perspective. PRING curates a high-quality, multi-species PPI network dataset comprising 21,484 proteins and 186,818 interactions, with well-designed strategies to address both data redundancy and leakage. Building on this golden-standard dataset, we establish two complementary evaluation paradigms: (1) topology-oriented tasks, which assess intra and cross-species PPI network construction, and (2) function-oriented tasks, including protein complex pathway prediction, GO module analysis, and essential protein justification. These evaluations not only reflect the model's capability to understand the network topology but also facilitate protein function annotation, biological module detection, and even disease mechanism analysis. Extensive experiments on four representative model categories, consisting of sequence similarity-based, naive sequence-based, protein language model-based, and structure-based approaches, demonstrate that current PPI models have potential limitations in recovering both structural and functional properties of PPI networks, highlighting the gap in supporting real-world biological applications. We believe PRING provides a reliable platform to guide the development of more effective PPI prediction models for the community. The dataset and source code of PRING are available at https://github.com/SophieSarceau/PRING.

In this work, we present a novel method for music emotion recognition that leverages Large Language Model (LLM) embeddings for label alignment across multiple datasets and zero-shot prediction on novel categories. First, we compute LLM embeddings for emotion labels and apply non-parametric clustering to group similar labels, across multiple datasets containing disjoint labels. We use these cluster centers to map music features (MERT) to the LLM embedding space. To further enhance the model, we introduce an alignment regularization that enables dissociation of MERT embeddings from different clusters. This further enhances the model's ability to better adaptation to unseen datasets. We demonstrate the effectiveness of our approach by performing zero-shot inference on a new dataset, showcasing its ability to generalize to unseen labels without additional training.

Large language models (LLMs) have achieved notable progress. Despite their success, next-token prediction (NTP), the dominant method for LLM training and inference, is constrained in both contextual coverage and inference efficiency due to its inherently sequential process. To overcome these challenges, we propose leap multi-token prediction~(L-MTP), an innovative token prediction method that extends the capabilities of multi-token prediction (MTP) by introducing a leap-based mechanism. Unlike conventional MTP, which generates multiple tokens at adjacent positions, L-MTP strategically skips over intermediate tokens, predicting non-sequential ones in a single forward pass. This structured leap not only enhances the model's ability to capture long-range dependencies but also enables a decoding strategy specially optimized for non-sequential leap token generation, effectively accelerating inference. We theoretically demonstrate the benefit of L-MTP in improving inference efficiency. Experiments across diverse benchmarks validate its merit in boosting both LLM performance and inference speed. The source code is available at https://github.com/Xiaohao-Liu/L-MTP.

An accurate solar wind speed model is important for space weather predictions, catastrophic event warnings, and other issues concerning solar wind - magnetosphere interaction. In this work, we construct a model based on convolutional neural network (CNN) and Potential Field Source Surface (PFSS) magnetograms, considering a solar wind source surface of R_{rm SS}=2.5R_odot, aiming to predict the solar wind speed at the Lagrange 1 (L1) point of the Sun-Earth system. The input of our model consists of four Potential Field Source Surface (PFSS) magnetograms at R_{rm SS}, which are 7, 6, 5, and 4 days before the target epoch. Reduced magnetograms are used to promote the model's efficiency. We use the Global Oscillation Network Group (GONG) photospheric magnetograms and the potential field extrapolation model to generate PFSS magnetograms at the source surface. The model provides predictions of the continuous test dataset with an averaged correlation coefficient (CC) of 0.52 and a root mean square error (RMSE) of 80.8 km/s in an eight-fold validation training scheme with the time resolution of the data as small as one hour. The model also has the potential to forecast high speed streams of the solar wind, which can be quantified with a general threat score of 0.39.

Being able to provide explanations for a model's decision has become a central requirement for the development, deployment, and adoption of machine learning models. However, we are yet to understand what explanation methods can and cannot do. How do upstream factors such as data, model prediction, hyperparameters, and random initialization influence downstream explanations? While previous work raised concerns that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we study the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors, i.e., on hyperparameters and inputs used to generate saliency-based Es or Ys. Our results suggest that the relationships between E and Y is far from ideal. In fact, the gap between 'ideal' case only increase in higher-performing models -- models that are likely to be deployed. Our work is a promising first step towards providing a quantitative measure of the relationship between E and Y, which could also inform the future development of methods for E with a quantitative metric.

Inference with transformer-based language models begins with a prompt processing step. In this step, the model generates the first output token and stores the KV cache needed for future generation steps. This prompt processing step can be computationally expensive, taking 10s of seconds or more for billion-parameter models on edge devices when prompt lengths or batch sizes rise. This degrades user experience by introducing significant latency into the model's outputs. To reduce the time spent producing the first output (known as the ``time to first token'', or TTFT) of a pretrained model, we introduce a novel method called KV Prediction. In our method, a small auxiliary model is used to process the prompt and produce an approximation of the KV cache used by a base model. This approximated KV cache is then used with the base model for autoregressive generation without the need to query the auxiliary model again. We demonstrate that our method produces a pareto-optimal efficiency-accuracy trade-off when compared to baselines. On TriviaQA, we demonstrate relative accuracy improvements in the range of 15%-50% across a range of TTFT FLOPs budgets. We also demonstrate accuracy improvements of up to 30% on HumanEval python code completion at fixed TTFT FLOPs budgets. Additionally, we benchmark models on an Apple M2 Pro CPU and demonstrate that our improvement in FLOPs translates to a TTFT speedup on hardware. We release our code at https://github.com/apple/corenet/tree/main/projects/kv-prediction .

We present an approach to pose object recognition as next token prediction. The idea is to apply a language decoder that auto-regressively predicts the text tokens from image embeddings to form labels. To ground this prediction process in auto-regression, we customize a non-causal attention mask for the decoder, incorporating two key features: modeling tokens from different labels to be independent, and treating image tokens as a prefix. This masking mechanism inspires an efficient method - one-shot sampling - to simultaneously sample tokens of multiple labels in parallel and rank generated labels by their probabilities during inference. To further enhance the efficiency, we propose a simple strategy to construct a compact decoder by simply discarding the intermediate blocks of a pretrained language model. This approach yields a decoder that matches the full model's performance while being notably more efficient. The code is available at https://github.com/kaiyuyue/nxtp

While neural networks allow highly accurate predictions in many tasks, their lack of robustness towards even slight input perturbations often hampers their deployment. Adversarial attacks such as the seminal projected gradient descent (PGD) offer an effective means to evaluate a model's robustness and dedicated solutions have been proposed for attacks on semantic segmentation or optical flow estimation. While they attempt to increase the attack's efficiency, a further objective is to balance its effect, so that it acts on the entire image domain instead of isolated point-wise predictions. This often comes at the cost of optimization stability and thus efficiency. Here, we propose CosPGD, an attack that encourages more balanced errors over the entire image domain while increasing the attack's overall efficiency. To this end, CosPGD leverages a simple alignment score computed from any pixel-wise prediction and its target to scale the loss in a smooth and fully differentiable way. It leads to efficient evaluations of a model's robustness for semantic segmentation as well as regression models (such as optical flow, disparity estimation, or image restoration), and it allows it to outperform the previous SotA attack on semantic segmentation. We provide code for the CosPGD algorithm and example usage at https://github.com/shashankskagnihotri/cospgd.

Machine learning models are often trained to predict the outcome resulting from a human decision. For example, if a doctor decides to test a patient for disease, will the patient test positive? A challenge is that historical decision-making determines whether the outcome is observed: we only observe test outcomes for patients doctors historically tested. Untested patients, for whom outcomes are unobserved, may differ from tested patients along observed and unobserved dimensions. We propose a Bayesian model class which captures this setting. The purpose of the model is to accurately estimate risk for both tested and untested patients. Estimating this model is challenging due to the wide range of possibilities for untested patients. To address this, we propose two domain constraints which are plausible in health settings: a prevalence constraint, where the overall disease prevalence is known, and an expertise constraint, where the human decision-maker deviates from purely risk-based decision-making only along a constrained feature set. We show theoretically and on synthetic data that domain constraints improve parameter inference. We apply our model to a case study of cancer risk prediction, showing that the model's inferred risk predicts cancer diagnoses, its inferred testing policy captures known public health policies, and it can identify suboptimalities in test allocation. Though our case study is in healthcare, our analysis reveals a general class of domain constraints which can improve model estimation in many settings.

We present WorldVLA, an autoregressive action world model that unifies action and image understanding and generation. Our WorldVLA intergrates Vision-Language-Action (VLA) model and world model in one single framework. The world model predicts future images by leveraging both action and image understanding, with the purpose of learning the underlying physics of the environment to improve action generation. Meanwhile, the action model generates the subsequent actions based on image observations, aiding in visual understanding and in turn helps visual generation of the world model. We demonstrate that WorldVLA outperforms standalone action and world models, highlighting the mutual enhancement between the world model and the action model. In addition, we find that the performance of the action model deteriorates when generating sequences of actions in an autoregressive manner. This phenomenon can be attributed to the model's limited generalization capability for action prediction, leading to the propagation of errors from earlier actions to subsequent ones. To address this issue, we propose an attention mask strategy that selectively masks prior actions during the generation of the current action, which shows significant performance improvement in the action chunk generation task.

Foundation models are premised on the idea that sequence prediction can uncover deeper domain understanding, much like how Kepler's predictions of planetary motion later led to the discovery of Newtonian mechanics. However, evaluating whether these models truly capture deeper structure remains a challenge. We develop a technique for evaluating foundation models that examines how they adapt to synthetic datasets generated from some postulated world model. Our technique measures whether the foundation model's inductive bias aligns with the world model, and so we refer to it as an inductive bias probe. Across multiple domains, we find that foundation models can excel at their training tasks yet fail to develop inductive biases towards the underlying world model when adapted to new tasks. We particularly find that foundation models trained on orbital trajectories consistently fail to apply Newtonian mechanics when adapted to new physics tasks. Further analysis reveals that these models behave as if they develop task-specific heuristics that fail to generalize.

Multimodal large language models (MLLMs) have shown great potential in perception and interpretation tasks, but their capabilities in predictive reasoning remain under-explored. To address this gap, we introduce a novel benchmark that assesses the predictive reasoning capabilities of MLLMs across diverse scenarios. Our benchmark targets three important domains: abstract pattern reasoning, human activity prediction, and physical interaction prediction. We further develop three evaluation methods powered by large language model to robustly quantify a model's performance in predicting and reasoning the future based on multi-visual context. Empirical experiments confirm the soundness of the proposed benchmark and evaluation methods via rigorous testing and reveal pros and cons of current popular MLLMs in the task of predictive reasoning. Lastly, our proposed benchmark provides a standardized evaluation framework for MLLMs and can facilitate the development of more advanced models that can reason and predict over complex long sequence of multimodal input.

This study presents an innovative approach for predicting cryptocurrency time series, specifically focusing on Bitcoin, Ethereum, and Litecoin. The methodology integrates the use of technical indicators, a Performer neural network, and BiLSTM (Bidirectional Long Short-Term Memory) to capture temporal dynamics and extract significant features from raw cryptocurrency data. The application of technical indicators, such facilitates the extraction of intricate patterns, momentum, volatility, and trends. The Performer neural network, employing Fast Attention Via positive Orthogonal Random features (FAVOR+), has demonstrated superior computational efficiency and scalability compared to the traditional Multi-head attention mechanism in Transformer models. Additionally, the integration of BiLSTM in the feedforward network enhances the model's capacity to capture temporal dynamics in the data, processing it in both forward and backward directions. This is particularly advantageous for time series data where past and future data points can influence the current state. The proposed method has been applied to the hourly and daily timeframes of the major cryptocurrencies and its performance has been benchmarked against other methods documented in the literature. The results underscore the potential of the proposed method to outperform existing models, marking a significant progression in the field of cryptocurrency price prediction.

Autonomous vehicles operating in complex real-world environments require accurate predictions of interactive behaviors between traffic participants. This paper tackles the interaction prediction problem by formulating it with hierarchical game theory and proposing the GameFormer model for its implementation. The model incorporates a Transformer encoder, which effectively models the relationships between scene elements, alongside a novel hierarchical Transformer decoder structure. At each decoding level, the decoder utilizes the prediction outcomes from the previous level, in addition to the shared environmental context, to iteratively refine the interaction process. Moreover, we propose a learning process that regulates an agent's behavior at the current level to respond to other agents' behaviors from the preceding level. Through comprehensive experiments on large-scale real-world driving datasets, we demonstrate the state-of-the-art accuracy of our model on the Waymo interaction prediction task. Additionally, we validate the model's capacity to jointly reason about the motion plan of the ego agent and the behaviors of multiple agents in both open-loop and closed-loop planning tests, outperforming various baseline methods. Furthermore, we evaluate the efficacy of our model on the nuPlan planning benchmark, where it achieves leading performance.

The human driver is no longer the only one concerned with the complexity of the driving scenarios. Autonomous vehicles (AV) are similarly becoming involved in the process. Nowadays, the development of AVs in urban places raises essential safety concerns for vulnerable road users (VRUs) such as pedestrians. Therefore, to make the roads safer, it is critical to classify and predict the pedestrians' future behavior. In this paper, we present a framework based on multiple variations of the Transformer models able to infer predict the pedestrian street-crossing decision-making based on the dynamics of its initiated trajectory. We showed that using solely bounding boxes as input features can outperform the previous state-of-the-art results by reaching a prediction accuracy of 91\% and an F1-score of 0.83 on the PIE dataset. In addition, we introduced a large-size simulated dataset (CP2A) using CARLA for action prediction. Our model has similarly reached high accuracy (91\%) and F1-score (0.91) on this dataset. Interestingly, we showed that pre-training our Transformer model on the CP2A dataset and then fine-tuning it on the PIE dataset is beneficial for the action prediction task. Finally, our model's results are successfully supported by the "human attention to bounding boxes" experiment which we created to test humans ability for pedestrian action prediction without the need for environmental context. The code for the dataset and the models is available at: https://github.com/linaashaji/Action_Anticipation

We propose DOME, a diffusion-based world model that predicts future occupancy frames based on past occupancy observations. The ability of this world model to capture the evolution of the environment is crucial for planning in autonomous driving. Compared to 2D video-based world models, the occupancy world model utilizes a native 3D representation, which features easily obtainable annotations and is modality-agnostic. This flexibility has the potential to facilitate the development of more advanced world models. Existing occupancy world models either suffer from detail loss due to discrete tokenization or rely on simplistic diffusion architectures, leading to inefficiencies and difficulties in predicting future occupancy with controllability. Our DOME exhibits two key features:(1) High-Fidelity and Long-Duration Generation. We adopt a spatial-temporal diffusion transformer to predict future occupancy frames based on historical context. This architecture efficiently captures spatial-temporal information, enabling high-fidelity details and the ability to generate predictions over long durations. (2)Fine-grained Controllability. We address the challenge of controllability in predictions by introducing a trajectory resampling method, which significantly enhances the model's ability to generate controlled predictions. Extensive experiments on the widely used nuScenes dataset demonstrate that our method surpasses existing baselines in both qualitative and quantitative evaluations, establishing a new state-of-the-art performance on nuScenes. Specifically, our approach surpasses the baseline by 10.5% in mIoU and 21.2% in IoU for occupancy reconstruction and by 36.0% in mIoU and 24.6% in IoU for 4D occupancy forecasting.

Next token prediction paradigm has been prevailing for autoregressive models in the era of LLMs. The current default sampling choice for popular LLMs is temperature scaling together with nucleus sampling to balance diversity and coherence. Nevertheless, such approach leads to inferior performance in various NLP tasks when the model is not certain about testing questions. To this end, we propose a brand new training-free decoding strategy, dubbed as Cautious Next Token Prediction (CNTP). In the decoding process, if the model has comparatively high prediction entropy at a certain step, we sample multiple trials starting from the step independently and stop when encountering any punctuation. Then we select the trial with the lowest perplexity score viewed as the most probable and reliable trial path given the model's capacity. The trial number is negatively correlated with the prediction confidence, i.e., the less confident the model is, the more trials it should sample. This is consistent with human beings' behaviour: when feeling uncertain or unconfident, one tends to think more creatively, exploring multiple thinking paths, to cautiously select the path one feels most confident about. Extensive experiments on both LLMs and MLLMs show that our proposed CNTP approach outperforms existing standard decoding strategies consistently by a clear margin. Moreover, the integration of CNTP with self consistency can further improve over vanilla self consistency. We believe our proposed CNTP has the potential to become one of the default choices for LLM decoding. Code is available at https://github.com/wyzjack/CNTP.

The recent advancements in large language models (LLMs) and pre-trained vision models have accelerated the development of vision-language large models (VLLMs), enhancing the interaction between visual and linguistic modalities. Despite their notable success across various domains, VLLMs face challenges in modality alignment, which can lead to issues like hallucinations and unsafe content generation. Current alignment techniques often rely on coarse feedback and external datasets, limiting scalability and performance. In this paper, we propose FiSAO (Fine-Grained Self-Alignment Optimization), a novel self-alignment method that utilizes the model's own visual encoder as a fine-grained verifier to improve vision-language alignment without the need for additional data. By leveraging token-level feedback from the vision encoder, FiSAO significantly improves vision-language alignment, even surpassing traditional preference tuning methods that require additional data. Through both theoretical analysis and experimental validation, we demonstrate that FiSAO effectively addresses the misalignment problem in VLLMs, marking the first instance of token-level rewards being applied to such models.

Visual Planning for Assistance (VPA) aims to predict a sequence of user actions required to achieve a specified goal based on a video showing the user's progress. Although recent advances in multimodal large language models (MLLMs) have shown promising results in video understanding, long-horizon visual planning remains a challenging problem. We identify two challenges in training large MLLMs for video-based planning tasks: (1) scarcity of procedural annotations, limiting the model's ability to learn procedural task dynamics effectively, and (2) inefficiency of next-token prediction objective to explicitly capture the structured action space for visual planning when compared to free-form, natural language. To tackle data scarcity, we introduce Auxiliary Task Augmentation. We design and train our model on auxiliary tasks relevant to long-horizon video-based planning (e.g., goal prediction) to augment the model's planning ability. To more explicitly model the structured action space unique to visual planning tasks, we leverage Multi-token Prediction, extending traditional next-token prediction by using multiple heads to predict multiple future tokens during training. Our approach, VideoPlan, achieves state-of-the-art VPA performance on the COIN and CrossTask datasets, surpassing prior methods by 7.3% and 3.4%, respectively, when predicting 3 future actions. We further extend our method to the challenging Ego4D Long-term Action Anticipation task, and show that it is on par with the state-of-the-art approaches despite not using specialized egocentric features. Code will be made available.

In this paper, we propose a unified framework that leverages a single pretrained LLM for Motion-related Multimodal Generation, referred to as MoMug. MoMug integrates diffusion-based continuous motion generation with the model's inherent autoregressive discrete text prediction capabilities by fine-tuning a pretrained LLM. This enables seamless switching between continuous motion output and discrete text token prediction within a single model architecture, effectively combining the strengths of both diffusion- and LLM-based approaches. Experimental results show that, compared to the most recent LLM-based baseline, MoMug improves FID by 38% and mean accuracy across seven metrics by 16.61% on the text-to-motion task. Additionally, it improves mean accuracy across eight metrics by 8.44% on the text-to-motion task. To the best of our knowledge, this is the first approach to integrate diffusion- and LLM-based generation within a single model for motion-related multimodal tasks while maintaining low training costs. This establishes a foundation for future advancements in motion-related generation, paving the way for high-quality yet cost-efficient motion synthesis.

This paper explores feature prediction as a stand-alone objective for unsupervised learning from video and introduces V-JEPA, a collection of vision models trained solely using a feature prediction objective, without the use of pretrained image encoders, text, negative examples, reconstruction, or other sources of supervision. The models are trained on 2 million videos collected from public datasets and are evaluated on downstream image and video tasks. Our results show that learning by predicting video features leads to versatile visual representations that perform well on both motion and appearance-based tasks, without adaption of the model's parameters; e.g., using a frozen backbone. Our largest model, a ViT-H/16 trained only on videos, obtains 81.9% on Kinetics-400, 72.2% on Something-Something-v2, and 77.9% on ImageNet1K.

Interpretability is essential for machine learning models to be trusted and deployed in critical domains. However, existing methods for interpreting text models are often complex, lack mathematical foundations, and their performance is not guaranteed. In this paper, we propose FRED (Faithful and Robust Explainer for textual Documents), a novel method for interpreting predictions over text. FRED offers three key insights to explain a model prediction: (1) it identifies the minimal set of words in a document whose removal has the strongest influence on the prediction, (2) it assigns an importance score to each token, reflecting its influence on the model's output, and (3) it provides counterfactual explanations by generating examples similar to the original document, but leading to a different prediction. We establish the reliability of FRED through formal definitions and theoretical analyses on interpretable classifiers. Additionally, our empirical evaluation against state-of-the-art methods demonstrates the effectiveness of FRED in providing insights into text models.

Cross-lingual transfer learning has proven useful in a variety of Natural Language Processing (NLP) tasks, but it is understudied in the context of legal NLP, and not at all in Legal Judgment Prediction (LJP). We explore transfer learning techniques on LJP using the trilingual Swiss-Judgment-Prediction dataset, including cases written in three languages. We find that cross-lingual transfer improves the overall results across languages, especially when we use adapter-based fine-tuning. Finally, we further improve the model's performance by augmenting the training dataset with machine-translated versions of the original documents, using a 3x larger training corpus. Further on, we perform an analysis exploring the effect of cross-domain and cross-regional transfer, i.e., train a model across domains (legal areas), or regions. We find that in both settings (legal areas, origin regions), models trained across all groups perform overall better, while they also have improved results in the worst-case scenarios. Finally, we report improved results when we ambitiously apply cross-jurisdiction transfer, where we further augment our dataset with Indian legal cases.

Using prompts to utilize language models to perform various downstream tasks, also known as prompt-based learning or prompt-learning, has lately gained significant success in comparison to the pre-train and fine-tune paradigm. Nonetheless, virtually all prompt-based methods are token-level, meaning they all utilize GPT's left-to-right language model or BERT's masked language model to perform cloze-style tasks. In this paper, we attempt to accomplish several NLP tasks in the zero-shot scenario using a BERT original pre-training task abandoned by RoBERTa and other models--Next Sentence Prediction (NSP). Unlike token-level techniques, our sentence-level prompt-based method NSP-BERT does not need to fix the length of the prompt or the position to be predicted, allowing it to handle tasks such as entity linking with ease. Based on the characteristics of NSP-BERT, we offer several quick building templates for various downstream tasks. We suggest a two-stage prompt method for word sense disambiguation tasks in particular. Our strategies for mapping the labels significantly enhance the model's performance on sentence pair tasks. On the FewCLUE benchmark, our NSP-BERT outperforms other zero-shot methods on most of these tasks and comes close to the few-shot methods.

A multi-modal guardrail must effectively filter image content based on user-defined policies, identifying material that may be hateful, reinforce harmful stereotypes, contain explicit material, or spread misinformation. Deploying such guardrails in real-world applications, however, poses significant challenges. Users often require varied and highly customizable policies and typically cannot provide abundant examples for each custom policy. Consequently, an ideal guardrail should be scalable to the multiple policies and adaptable to evolving user standards with minimal retraining. Existing fine-tuning methods typically condition predictions on pre-defined policies, restricting their generalizability to new policies or necessitating extensive retraining to adapt. Conversely, training-free methods struggle with limited context lengths, making it difficult to incorporate all the policies comprehensively. To overcome these limitations, we propose to condition model's judgment on "precedents", which are the reasoning processes of prior data points similar to the given input. By leveraging precedents instead of fixed policies, our approach greatly enhances the flexibility and adaptability of the guardrail. In this paper, we introduce a critique-revise mechanism for collecting high-quality precedents and two strategies that utilize precedents for robust prediction. Experimental results demonstrate that our approach outperforms previous methods across both few-shot and full-dataset scenarios and exhibits superior generalization to novel policies.

Dynamics prediction, which is the problem of predicting future states of scene objects based on current and prior states, is drawing increasing attention as an instance of learning physics. To solve this problem, Region Proposal Convolutional Interaction Network (RPCIN), a vision-based model, was proposed and achieved state-of-the-art performance in long-term prediction. RPCIN only takes raw images and simple object descriptions, such as the bounding box and segmentation mask of each object, as input. However, despite its success, the model's capability can be compromised under conditions of environment misalignment. In this paper, we investigate two challenging conditions for environment misalignment: Cross-Domain and Cross-Context by proposing four datasets that are designed for these challenges: SimB-Border, SimB-Split, BlenB-Border, and BlenB-Split. The datasets cover two domains and two contexts. Using RPCIN as a probe, experiments conducted on the combinations of the proposed datasets reveal potential weaknesses of the vision-based long-term dynamics prediction model. Furthermore, we propose a promising direction to mitigate the Cross-Domain challenge and provide concrete evidence supporting such a direction, which provides dramatic alleviation of the challenge on the proposed datasets.

Machine learning models trained on Earth observation data, such as satellite imagery, have demonstrated significant promise in predicting household-level wealth indices, enabling the creation of high-resolution wealth maps that can be leveraged across multiple causal trials. However, because standard training objectives prioritize overall predictive accuracy, these predictions inherently suffer from shrinkage toward the mean, leading to attenuated estimates of causal treatment effects and limiting their utility in policy. Existing debiasing methods, such as Prediction-Powered Inference, can handle this attenuation bias but require additional fresh ground-truth data at the downstream stage of causal inference, which restricts their applicability in data-scarce environments. Here, we introduce and evaluate two correction methods -- linear calibration correction and Tweedie's correction -- that substantially reduce prediction bias without relying on newly collected labeled data. Linear calibration corrects bias through a straightforward linear transformation derived from held-out calibration data, whereas Tweedie's correction leverages empirical Bayes principles to directly address shrinkage-induced biases by exploiting score functions derived from the model's learning patterns. Through analytical exercises and experiments using Demographic and Health Survey data, we demonstrate that the proposed methods meet or outperform existing approaches that either require (a) adjustments to training pipelines or (b) additional labeled data. These approaches may represent a promising avenue for improving the reliability of causal inference when direct outcome measures are limited or unavailable, enabling a "one map, many trials" paradigm where a single upstream data creation team produces predictions usable by many downstream teams across diverse ML pipelines.

Object detection has long been dominated by traditional coordinate regression-based models, such as YOLO, DETR, and Grounding DINO. Although recent efforts have attempted to leverage MLLMs to tackle this task, they face challenges like low recall rate, duplicate predictions, coordinate misalignment, etc. In this work, we bridge this gap and propose Rex-Omni, a 3B-scale MLLM that achieves state-of-the-art object perception performance. On benchmarks like COCO and LVIS, Rex-Omni attains performance comparable to or exceeding regression-based models (e.g., DINO, Grounding DINO) in a zero-shot setting. This is enabled by three key designs: 1) Task Formulation: we use special tokens to represent quantized coordinates from 0 to 999, reducing the model's learning difficulty and improving token efficiency for coordinate prediction; 2) Data Engines: we construct multiple data engines to generate high-quality grounding, referring, and pointing data, providing semantically rich supervision for training; \3) Training Pipelines: we employ a two-stage training process, combining supervised fine-tuning on 22 million data with GRPO-based reinforcement post-training. This RL post-training leverages geometry-aware rewards to effectively bridge the discrete-to-continuous coordinate prediction gap, improve box accuracy, and mitigate undesirable behaviors like duplicate predictions that stem from the teacher-guided nature of the initial SFT stage. Beyond conventional detection, Rex-Omni's inherent language understanding enables versatile capabilities such as object referring, pointing, visual prompting, GUI grounding, spatial referring, OCR and key-pointing, all systematically evaluated on dedicated benchmarks. We believe that Rex-Omni paves the way for more versatile and language-aware visual perception systems.

For deployment, neural architecture search should be hardware-aware, in order to satisfy the device-specific constraints (e.g., memory usage, latency and energy consumption) and enhance the model efficiency. Existing methods on hardware-aware NAS collect a large number of samples (e.g., accuracy and latency) from a target device, either builds a lookup table or a latency estimator. However, such approach is impractical in real-world scenarios as there exist numerous devices with different hardware specifications, and collecting samples from such a large number of devices will require prohibitive computational and monetary cost. To overcome such limitations, we propose Hardware-adaptive Efficient Latency Predictor (HELP), which formulates the device-specific latency estimation problem as a meta-learning problem, such that we can estimate the latency of a model's performance for a given task on an unseen device with a few samples. To this end, we introduce novel hardware embeddings to embed any devices considering them as black-box functions that output latencies, and meta-learn the hardware-adaptive latency predictor in a device-dependent manner, using the hardware embeddings. We validate the proposed HELP for its latency estimation performance on unseen platforms, on which it achieves high estimation performance with as few as 10 measurement samples, outperforming all relevant baselines. We also validate end-to-end NAS frameworks using HELP against ones without it, and show that it largely reduces the total time cost of the base NAS method, in latency-constrained settings. Code is available at https://github.com/HayeonLee/HELP.

Transformers are increasingly dominating multi-modal reasoning tasks, such as visual question answering, achieving state-of-the-art results thanks to their ability to contextualize information using the self-attention and co-attention mechanisms. These attention modules also play a role in other computer vision tasks including object detection and image segmentation. Unlike Transformers that only use self-attention, Transformers with co-attention require to consider multiple attention maps in parallel in order to highlight the information that is relevant to the prediction in the model's input. In this work, we propose the first method to explain prediction by any Transformer-based architecture, including bi-modal Transformers and Transformers with co-attentions. We provide generic solutions and apply these to the three most commonly used of these architectures: (i) pure self-attention, (ii) self-attention combined with co-attention, and (iii) encoder-decoder attention. We show that our method is superior to all existing methods which are adapted from single modality explainability.

Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability. This limits their ability to capture organ-specific toxicities driven by complex biological mechanisms. Large language models (LLMs) offer a promising alternative through step-by-step reasoning and integration of textual data, yet prior approaches lack biological context and transparent rationale. To address this issue, we propose CoTox, a novel framework that integrates LLM with chain-of-thought (CoT) reasoning for multi-toxicity prediction. CoTox combines chemical structure data, biological pathways, and gene ontology (GO) terms to generate interpretable toxicity predictions through step-by-step reasoning. Using GPT-4o, we show that CoTox outperforms both traditional machine learning and deep learning model. We further examine its performance across various LLMs to identify where CoTox is most effective. Additionally, we find that representing chemical structures with IUPAC names, which are easier for LLMs to understand than SMILES, enhances the model's reasoning ability and improves predictive performance. To demonstrate its practical utility in drug development, we simulate the treatment of relevant cell types with drug and incorporated the resulting biological context into the CoTox framework. This approach allow CoTox to generate toxicity predictions aligned with physiological responses, as shown in case study. This result highlights the potential of LLM-based frameworks to improve interpretability and support early-stage drug safety assessment. The code and prompt used in this work are available at https://github.com/dmis-lab/CoTox.

Interpretability research now offers a variety of techniques for identifying abstract internal mechanisms in neural networks. Can such techniques be used to predict how models will behave on out-of-distribution examples? In this work, we provide a positive answer to this question. Through a diverse set of language modeling tasks--including symbol manipulation, knowledge retrieval, and instruction following--we show that the most robust features for correctness prediction are those that play a distinctive causal role in the model's behavior. Specifically, we propose two methods that leverage causal mechanisms to predict the correctness of model outputs: counterfactual simulation (checking whether key causal variables are realized) and value probing (using the values of those variables to make predictions). Both achieve high AUC-ROC in distribution and outperform methods that rely on causal-agnostic features in out-of-distribution settings, where predicting model behaviors is more crucial. Our work thus highlights a novel and significant application for internal causal analysis of language models.

Human trajectory prediction is a practical task of predicting the future positions of pedestrians on the road, which typically covers all temporal ranges from short-term to long-term within a trajectory. However, existing works attempt to address the entire trajectory prediction with a singular, uniform training paradigm, neglecting the distinction between short-term and long-term dynamics in human trajectories. To overcome this limitation, we introduce a novel Progressive Pretext Task learning (PPT) framework, which progressively enhances the model's capacity of capturing short-term dynamics and long-term dependencies for the final entire trajectory prediction. Specifically, we elaborately design three stages of training tasks in the PPT framework. In the first stage, the model learns to comprehend the short-term dynamics through a stepwise next-position prediction task. In the second stage, the model is further enhanced to understand long-term dependencies through a destination prediction task. In the final stage, the model aims to address the entire future trajectory task by taking full advantage of the knowledge from previous stages. To alleviate the knowledge forgetting, we further apply a cross-task knowledge distillation. Additionally, we design a Transformer-based trajectory predictor, which is able to achieve highly efficient two-step reasoning by integrating a destination-driven prediction strategy and a group of learnable prompt embeddings. Extensive experiments on popular benchmarks have demonstrated that our proposed approach achieves state-of-the-art performance with high efficiency. Code is available at https://github.com/iSEE-Laboratory/PPT.

The task of chemical reaction predictions (CRPs) plays a pivotal role in advancing drug discovery and material science. However, its effectiveness is constrained by the vast and uncertain chemical reaction space and challenges in capturing reaction selectivity, particularly due to existing methods' limitations in exploiting the data's inherent knowledge. To address these challenges, we introduce a data-curated self-feedback knowledge elicitation approach. This method starts from iterative optimization of molecular representations and facilitates the extraction of knowledge on chemical reaction types (RTs). Then, we employ adaptive prompt learning to infuse the prior knowledge into the large language model (LLM). As a result, we achieve significant enhancements: a 14.2% increase in retrosynthesis prediction accuracy, a 74.2% rise in reagent prediction accuracy, and an expansion in the model's capability for handling multi-task chemical reactions. This research offers a novel paradigm for knowledge elicitation in scientific research and showcases the untapped potential of LLMs in CRPs.

Language models such as GPT-2 have performed well on constructing syntactically sound sentences for text auto-completion task. However, such models often require considerable training effort to adapt to specific writing domains (e.g., medical). In this paper, we propose an intermediate training strategy to enhance pre-trained language models' performance in the text auto-completion task and fastly adapt them to specific domains. Our strategy includes a novel self-supervised training objective called Next Phrase Prediction (NPP), which encourages a language model to complete the partial query with enriched phrases and eventually improve the model's text auto-completion performance. Preliminary experiments have shown that our approach is able to outperform the baselines in auto-completion for email and academic writing domains.

This paper is dedicated to an efficient compression of weights and optimizer states (called checkpoints) obtained at different stages during a neural network training process. First, we propose a prediction-based compression approach, where values from the previously saved checkpoint are used for context modeling in arithmetic coding. Second, in order to enhance the compression performance, we also propose to apply pruning and quantization of the checkpoint values. Experimental results show that our approach achieves substantial bit size reduction, while enabling near-lossless training recovery from restored checkpoints, preserving the model's performance and making it suitable for storage-limited environments.

The rapid advancement of generative models in creating highly realistic images poses substantial risks for misinformation dissemination. For instance, a synthetic image, when shared on social media, can mislead extensive audiences and erode trust in digital content, resulting in severe repercussions. Despite some progress, academia has not yet created a large and diversified deepfake detection dataset for social media, nor has it devised an effective solution to address this issue. In this paper, we introduce the Social media Image Detection dataSet (SID-Set), which offers three key advantages: (1) extensive volume, featuring 300K AI-generated/tampered and authentic images with comprehensive annotations, (2) broad diversity, encompassing fully synthetic and tampered images across various classes, and (3) elevated realism, with images that are predominantly indistinguishable from genuine ones through mere visual inspection. Furthermore, leveraging the exceptional capabilities of large multimodal models, we propose a new image deepfake detection, localization, and explanation framework, named SIDA (Social media Image Detection, localization, and explanation Assistant). SIDA not only discerns the authenticity of images, but also delineates tampered regions through mask prediction and provides textual explanations of the model's judgment criteria. Compared with state-of-the-art deepfake detection models on SID-Set and other benchmarks, extensive experiments demonstrate that SIDA achieves superior performance among diversified settings. The code, model, and dataset will be released.

Visual-language foundation Models (FMs) exhibit remarkable zero-shot generalization across diverse tasks, largely attributed to extensive pre-training on largescale datasets. However, their robustness on low-resolution/pixelated (LR) images, a common challenge in real-world scenarios, remains underexplored. We introduce LR0.FM, a comprehensive benchmark evaluating the impact of low resolution on the zero-shot classification performance of 10 FM(s) across 66 backbones and 15 datasets. We propose a novel metric, Weighted Aggregated Robustness, to address the limitations of existing metrics and better evaluate model performance across resolutions and datasets. Our key findings show that: (i) model size positively correlates with robustness to resolution degradation, (ii) pre-training dataset quality is more important than its size, and (iii) fine-tuned and higher resolution models are less robust against LR. Our analysis further reveals that the model makes semantically reasonable predictions at LR, and the lack of fine-grained details in input adversely impacts the model's initial layers more than the deeper layers. We use these insights and introduce a simple strategy, LR-TK0, to enhance the robustness of models without compromising their pre-trained weights. We demonstrate the effectiveness of LR-TK0 for robustness against low-resolution across several datasets and its generalization capability across backbones and other approaches. Code is available at https://github.com/shyammarjit/LR0.FM

Genomic language models (gLMs) have shown mostly modest success in identifying evolutionarily constrained elements in mammalian genomes. To address this issue, we introduce a novel framework for training gLMs that explicitly models nucleotide evolution on phylogenetic trees using multispecies whole-genome alignments. Our approach integrates an alignment into the loss function during training but does not require it for making predictions, thereby enhancing the model's applicability. We applied this framework to train PhyloGPN, a model that excels at predicting functionally disruptive variants from a single sequence alone and demonstrates strong transfer learning capabilities.

Accurate weather forecasting is essential for understanding and mitigating weather-related impacts. In this paper, we present PuYun, an autoregressive cascade model that leverages large kernel attention convolutional networks. The model's design inherently supports extended weather prediction horizons while broadening the effective receptive field. The integration of large kernel attention mechanisms within the convolutional layers enhances the model's capacity to capture fine-grained spatial details, thereby improving its predictive accuracy for meteorological phenomena. We introduce PuYun, comprising PuYun-Short for 0-5 day forecasts and PuYun-Medium for 5-10 day predictions. This approach enhances the accuracy of 10-day weather forecasting. Through evaluation, we demonstrate that PuYun-Short alone surpasses the performance of both GraphCast and FuXi-Short in generating accurate 10-day forecasts. Specifically, on the 10th day, PuYun-Short reduces the RMSE for Z500 to 720 m^2/s^2, compared to 732 m^2/s^2 for GraphCast and 740 m^2/s^2 for FuXi-Short. Additionally, the RMSE for T2M is reduced to 2.60 K, compared to 2.63 K for GraphCast and 2.65 K for FuXi-Short. Furthermore, when employing a cascaded approach by integrating PuYun-Short and PuYun-Medium, our method achieves superior results compared to the combined performance of FuXi-Short and FuXi-Medium. On the 10th day, the RMSE for Z500 is further reduced to 638 m^2/s^2, compared to 641 m^2/s^2 for FuXi. These findings underscore the effectiveness of our model ensemble in advancing medium-range weather prediction. Our training code and model will be open-sourced.

Understanding sources of a model's uncertainty regarding its predictions is crucial for effective human-AI collaboration. Prior work proposes using numerical uncertainty or hedges ("I'm not sure, but ..."), which do not explain uncertainty that arises from conflicting evidence, leaving users unable to resolve disagreements or rely on the output. We introduce CLUE (Conflict-and-Agreement-aware Language-model Uncertainty Explanations), the first framework to generate natural language explanations of model uncertainty by (i) identifying relationships between spans of text that expose claim-evidence or inter-evidence conflicts and agreements that drive the model's predictive uncertainty in an unsupervised way, and (ii) generating explanations via prompting and attention steering that verbalize these critical interactions. Across three language models and two fact-checking datasets, we show that CLUE produces explanations that are more faithful to the model's uncertainty and more consistent with fact-checking decisions than prompting for uncertainty explanations without span-interaction guidance. Human evaluators judge our explanations to be more helpful, more informative, less redundant, and more logically consistent with the input than this baseline. CLUE requires no fine-tuning or architectural changes, making it plug-and-play for any white-box language model. By explicitly linking uncertainty to evidence conflicts, it offers practical support for fact-checking and generalises readily to other tasks that require reasoning over complex information.

In the current environment, psychological issues are prevalent and widespread, with social media serving as a key outlet for individuals to share their feelings. This results in the generation of vast quantities of data daily, where negative emotions have the potential to precipitate crisis situations. There is a recognized need for models capable of efficient analysis. While pre-trained language models have demonstrated their effectiveness broadly, there's a noticeable gap in pre-trained models tailored for specialized domains like psychology. To address this, we have collected a huge dataset from Chinese social media platforms and enriched it with publicly available datasets to create a comprehensive database encompassing 3.36 million text entries. To enhance the model's applicability to psychological text analysis, we integrated psychological lexicons into the pre-training masking mechanism. Building on an existing Chinese language model, we performed adaptive training to develop a model specialized for the psychological domain. We assessed our model's effectiveness across four public benchmarks, where it not only surpassed the performance of standard pre-trained models but also showed a inclination for making psychologically relevant predictions. Due to concerns regarding data privacy, the dataset will not be made publicly available. However, we have made the pre-trained models and codes publicly accessible to the community via: https://github.com/zwzzzQAQ/Chinese-MentalBERT.

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.

Multimodal large language models (MLLMs) hold considerable promise for applications in healthcare. However, their deployment in safety-critical settings is hindered by two key limitations: (i) sensitivity to prompt design, and (ii) a tendency to generate incorrect responses with high confidence. As clinicians may rely on a model's stated confidence to gauge the reliability of its predictions, it is especially important that when a model expresses high confidence, it is also highly accurate. We introduce Prompt4Trust, the first reinforcement learning (RL) framework for prompt augmentation targeting confidence calibration in MLLMs. A lightweight LLM is trained to produce context-aware auxiliary prompts that guide a downstream task MLLM to generate responses in which the expressed confidence more accurately reflects predictive accuracy. Unlike conventional calibration techniques, Prompt4Trust specifically prioritizes aspects of calibration most critical for safe and trustworthy clinical decision-making. Beyond improvements driven by this clinically motivated calibration objective, our proposed method also improves task accuracy, achieving state-of-the-art medical visual question answering (VQA) performance on the PMC-VQA benchmark, which is composed of multiple-choice questions spanning diverse medical imaging modalities. Moreover, our framework trained with a small downstream task MLLM showed promising zero-shot generalization to larger MLLMs in our experiments, suggesting the potential for scalable calibration without the associated computational costs. This work demonstrates the potential of automated yet human-aligned prompt engineering for improving the the trustworthiness of MLLMs in safety critical settings. Our codebase can be found at https://github.com/xingbpshen/prompt4trust.

As global fertilizer application rates increase, high-quality datasets are paramount for comprehensive analyses to support informed decision-making and policy formulation in crucial areas such as food security or climate change. This study aims to fill existing data gaps by employing two machine learning models, eXtreme Gradient Boosting and HistGradientBoosting algorithms to produce precise country-level predictions of nitrogen (N), phosphorus pentoxide (P_2O_5), and potassium oxide (K_2O) application rates. Subsequently, we created a comprehensive dataset of 5-arcmin resolution maps depicting the application rates of each fertilizer for 13 major crop groups from 1961 to 2019. The predictions were validated by both comparing with existing databases and by assessing the drivers of fertilizer application rates using the model's SHapley Additive exPlanations. This extensive dataset is poised to be a valuable resource for assessing fertilization trends, identifying the socioeconomic, agricultural, and environmental drivers of fertilizer application rates, and serving as an input for various applications, including environmental modeling, causal analysis, fertilizer price predictions, and forecasting.

As black-box models increasingly power high-stakes applications, a variety of data-driven explanation methods have been introduced. Meanwhile, machine learning models are constantly challenged by distributional shifts. A question naturally arises: Are data-driven explanations robust against out-of-distribution data? Our empirical results show that even though predict correctly, the model might still yield unreliable explanations under distributional shifts. How to develop robust explanations against out-of-distribution data? To address this problem, we propose an end-to-end model-agnostic learning framework Distributionally Robust Explanations (DRE). The key idea is, inspired by self-supervised learning, to fully utilizes the inter-distribution information to provide supervisory signals for the learning of explanations without human annotation. Can robust explanations benefit the model's generalization capability? We conduct extensive experiments on a wide range of tasks and data types, including classification and regression on image and scientific tabular data. Our results demonstrate that the proposed method significantly improves the model's performance in terms of explanation and prediction robustness against distributional shifts.

Abbreviation expansion is a strategy used to speed up communication by limiting the amount of typing and using a language model to suggest expansions. Here we look at personalizing a Large Language Model's (LLM) suggestions based on prior conversations to enhance the relevance of predictions, particularly when the user data is small (~1000 samples). Specifically, we compare fine-tuning, prompt-tuning, and retrieval augmented generation of expanded text suggestions for abbreviated inputs. Our case study with a deployed 8B parameter LLM on a real user living with ALS, and experiments on movie character personalization indicates that (1) customization may be necessary in some scenarios and prompt-tuning generalizes well to those, (2) fine-tuning on in-domain data (with as few as 600 samples) still shows some gains, however (3) retrieval augmented few-shot selection also outperforms fine-tuning. (4) Parameter efficient tuning allows for efficient and scalable personalization. For prompt-tuning, we also find that initializing the learned "soft-prompts" to user relevant concept tokens leads to higher accuracy than random initialization.

Deep learning techniques have revolutionized image classification by mimicking human cognition and automating complex decision-making processes. However, the deployment of AI systems in the wild, especially in high-security domains such as defence, is curbed by the lack of explainability of the model. To this end, eXplainable AI (XAI) is an emerging area of research that is intended to explore the unexplained hidden black box nature of deep neural networks. This paper explores the application of the eXplainable Artificial Intelligence (XAI) tool to interpret the underwater image classification results, one of the first works in the domain to the best of our knowledge. Our study delves into the realm of SONAR image classification using a custom dataset derived from diverse sources, including the Seabed Objects KLSG dataset, the camera SONAR dataset, the mine SONAR images dataset, and the SCTD dataset. An extensive analysis of transfer learning techniques for image classification using benchmark Convolutional Neural Network (CNN) architectures such as VGG16, ResNet50, InceptionV3, DenseNet121, etc. is carried out. On top of this classification model, a post-hoc XAI technique, viz. Local Interpretable Model-Agnostic Explanations (LIME) are incorporated to provide transparent justifications for the model's decisions by perturbing input data locally to see how predictions change. Furthermore, Submodular Picks LIME (SP-LIME) a version of LIME particular to images, that perturbs the image based on the submodular picks is also extensively studied. To this end, two submodular optimization algorithms i.e. Quickshift and Simple Linear Iterative Clustering (SLIC) are leveraged towards submodular picks. The extensive analysis of XAI techniques highlights interpretability of the results in a more human-compliant way, thus boosting our confidence and reliability.

Learning efficient representations for decision-making policies is a challenge in imitation learning (IL). Current IL methods require expert demonstrations, which are expensive to collect. Consequently, they often have underdeveloped world models. Self-supervised learning (SSL) offers an alternative by allowing models to learn from diverse, unlabeled data, including failures. However, SSL methods often operate in raw input space, making them inefficient. In this work, we propose ACT-JEPA, a novel architecture that integrates IL and SSL to enhance policy representations. We train a policy to predict (1) action sequences and (2) abstract observation sequences. The first objective uses action chunking to improve action prediction and reduce compounding errors. The second objective extends this idea of chunking by predicting abstract observation sequences. We utilize Joint-Embedding Predictive Architecture to predict in abstract representation space, allowing the model to filter out irrelevant details, improve efficiency, and develop a robust world model. Our experiments show that ACT-JEPA improves the quality of representations by learning temporal environment dynamics. Additionally, the model's ability to predict abstract observation sequences results in representations that effectively generalize to action sequence prediction. ACT-JEPA performs on par with established baselines across a range of decision-making tasks.

Recent advancements in data-driven weather forecasting models have delivered deterministic models that outperform the leading operational forecast systems based on traditional, physics-based models. However, these data-driven models are typically trained with a mean squared error loss function, which causes smoothing of fine scales through a "double penalty" effect. We develop a simple, parameter-free modification to this loss function that avoids this problem by separating the loss attributable to decorrelation from the loss attributable to spectral amplitude errors. Fine-tuning the GraphCast model with this new loss function results in sharp deterministic weather forecasts, an increase of the model's effective resolution from 1,250km to 160km, improvements to ensemble spread, and improvements to predictions of tropical cyclone strength and surface wind extremes.

The widespread use of large language models (LLMs) has sparked concerns about the potential misuse of AI-generated text, as these models can produce content that closely resembles human-generated text. Current detectors for AI-generated text (AIGT) lack robustness against adversarial perturbations, with even minor changes in characters or words causing a reversal in distinguishing between human-created and AI-generated text. This paper investigates the robustness of existing AIGT detection methods and introduces a novel detector, the Siamese Calibrated Reconstruction Network (SCRN). The SCRN employs a reconstruction network to add and remove noise from text, extracting a semantic representation that is robust to local perturbations. We also propose a siamese calibration technique to train the model to make equally confidence predictions under different noise, which improves the model's robustness against adversarial perturbations. Experiments on four publicly available datasets show that the SCRN outperforms all baseline methods, achieving 6.5\%-18.25\% absolute accuracy improvement over the best baseline method under adversarial attacks. Moreover, it exhibits superior generalizability in cross-domain, cross-genre, and mixed-source scenarios. The code is available at https://github.com/CarlanLark/Robust-AIGC-Detector.

Language model developers typically filter out high-risk content -- such as toxic or copyrighted text -- from their pre-training data to prevent models from generating similar outputs. However, removing such data altogether limits models' ability to recognize and appropriately respond to harmful or sensitive content. In this paper, we introduce Selective Loss to Understand but Not Generate (SLUNG), a pre-training paradigm through which models learn to understand high-risk data without learning to generate it. Instead of uniformly applying the next-token prediction loss, SLUNG selectively avoids incentivizing the generation of high-risk tokens while ensuring they remain within the model's context window. As the model learns to predict low-risk tokens that follow high-risk ones, it is forced to understand the high-risk content. Through our experiments, we show that SLUNG consistently improves models' understanding of high-risk data (e.g., ability to recognize toxic content) without increasing its generation (e.g., toxicity of model responses). Overall, our SLUNG paradigm enables models to benefit from high-risk text that would otherwise be filtered out.

Large pre-trained Vision-Language Models (VLMs) have become ubiquitous foundational components of other models and downstream tasks. Although powerful, our empirical results reveal that such models might not be able to identify fine-grained concepts. Specifically, the explanations of VLMs with respect to fine-grained concepts are entangled and mislocalized. To address this issue, we propose to DisEntAngle and Localize (DEAL) the concept-level explanations for VLMs without human annotations. The key idea is encouraging the concept-level explanations to be distinct while maintaining consistency with category-level explanations. We conduct extensive experiments and ablation studies on a wide range of benchmark datasets and vision-language models. Our empirical results demonstrate that the proposed method significantly improves the concept-level explanations of the model in terms of disentanglability and localizability. Surprisingly, the improved explainability alleviates the model's reliance on spurious correlations, which further benefits the prediction accuracy.

Recent advances in natural language processing highlight two key factors for improving reasoning in large language models (LLMs): (i) allocating more test-time compute tends to help on harder problems but often introduces redundancy in the reasoning trace, and (ii) compute is most effective when reasoning is systematic and incremental, forming structured chains of thought (CoTs) akin to human problem-solving. To study these factors in isolation, we introduce a controlled setting based on shortest-path tasks in layered graphs. We train decoder-only transformers on question-trace-answer triples using a custom tokenizer, comparing models trained on optimal bottom-up dynamic programming traces with those trained on longer, valid traces involving backtracking. Surprisingly, with the same training-token budget, models trained on inefficient traces generalize better to unseen graphs. This benefit is not due to length alone-injecting arbitrary redundancy into reasoning traces fails to help and can even hurt performance. Instead, we find that generalization correlates with the model's confidence in next-token prediction, suggesting that long, coherent, and locally incremental traces make the training signal easier to optimize.

Video Question Answering (VideoQA) is a challenging task that entails complex multi-modal reasoning. In contrast to multiple-choice VideoQA which aims to predict the answer given several options, the goal of open-ended VideoQA is to answer questions without restricting candidate answers. However, the majority of previous VideoQA models formulate open-ended VideoQA as a classification task to classify the video-question pairs into a fixed answer set, i.e., closed-vocabulary, which contains only frequent answers (e.g., top-1000 answers). This leads the model to be biased toward only frequent answers and fail to generalize on out-of-vocabulary answers. We hence propose a new benchmark, Open-vocabulary Video Question Answering (OVQA), to measure the generalizability of VideoQA models by considering rare and unseen answers. In addition, in order to improve the model's generalization power, we introduce a novel GNN-based soft verbalizer that enhances the prediction on rare and unseen answers by aggregating the information from their similar words. For evaluation, we introduce new baselines by modifying the existing (closed-vocabulary) open-ended VideoQA models and improve their performances by further taking into account rare and unseen answers. Our ablation studies and qualitative analyses demonstrate that our GNN-based soft verbalizer further improves the model performance, especially on rare and unseen answers. We hope that our benchmark OVQA can serve as a guide for evaluating the generalizability of VideoQA models and inspire future research. Code is available at https://github.com/mlvlab/OVQA.

Large Language Models are known to capture real-world knowledge, allowing them to excel in many downstream tasks. Despite recent advances, these models are still prone to what are commonly known as hallucinations, causing them to emit unwanted and factually incorrect text. In this work, we propose a novel calibration method that can be used to combat hallucinations. We add a special [IDK] ("I don't know") token to the model's vocabulary and introduce an objective function that shifts probability mass to the [IDK] token for incorrect predictions. This approach allows the model to express uncertainty in its output explicitly. We evaluate our proposed method across multiple model architectures and factual downstream tasks. We find that models trained with our method are able to express uncertainty in places where they would previously make mistakes while suffering only a small loss of encoded knowledge. We further perform extensive ablation studies of multiple variations of our approach and provide a detailed analysis of the precision-recall tradeoff of our method.

In Recurrent Neural Networks (RNNs), encoding information in a suboptimal or erroneous way can impact the quality of representations based on later elements in the sequence and subsequently lead to wrong predictions and a worse model performance. In humans, challenging cases like garden path sentences (an instance of this being the infamous "The horse raced past the barn fell") can lead their language understanding astray. However, they are still able to correct their representation accordingly and recover when new information is encountered. Inspired by this, I propose an augmentation to standard RNNs in form of a gradient-based correction mechanism: This way I hope to enable such models to dynamically adapt their inner representation of a sentence, adding a way to correct deviations as soon as they occur. This could therefore lead to more robust models using more flexible representations, even during inference time. I conduct different experiments in the context of language modeling, where the impact of using such a mechanism is examined in detail. To this end, I look at modifications based on different kinds of time-dependent error signals and how they influence the model performance. Furthermore, this work contains a study of the model's confidence in its predictions during training and for challenging test samples and the effect of the manipulation thereof. Lastly, I also study the difference in behavior of these novel models compared to a standard LSTM baseline and investigate error cases in detail to identify points of future research. I show that while the proposed approach comes with promising theoretical guarantees and an appealing intuition, it is only able to produce minor improvements over the baseline due to challenges in its practical application and the efficacy of the tested model variants.

Time-series forecasting is one of the most active research topics in artificial intelligence. Applications in real-world time series should consider two factors for achieving reliable predictions: modeling dynamic dependencies among multiple variables and adjusting the model's intrinsic hyperparameters. A still open gap in that literature is that statistical and ensemble learning approaches systematically present lower predictive performance than deep learning methods. They generally disregard the data sequence aspect entangled with multivariate data represented in more than one time series. Conversely, this work presents a novel neural network architecture for time-series forecasting that combines the power of graph evolution with deep recurrent learning on distinct data distributions; we named our method Recurrent Graph Evolution Neural Network (ReGENN). The idea is to infer multiple multivariate relationships between co-occurring time-series by assuming that the temporal data depends not only on inner variables and intra-temporal relationships (i.e., observations from itself) but also on outer variables and inter-temporal relationships (i.e., observations from other-selves). An extensive set of experiments was conducted comparing ReGENN with dozens of ensemble methods and classical statistical ones, showing sound improvement of up to 64.87% over the competing algorithms. Furthermore, we present an analysis of the intermediate weights arising from ReGENN, showing that by looking at inter and intra-temporal relationships simultaneously, time-series forecasting is majorly improved if paying attention to how multiple multivariate data synchronously evolve.

By leveraging the text-to-image diffusion priors, score distillation can synthesize 3D contents without paired text-3D training data. Instead of spending hours of online optimization per text prompt, recent studies have been focused on learning a text-to-3D generative network for amortizing multiple text-3D relations, which can synthesize 3D contents in seconds. However, existing score distillation methods are hard to scale up to a large amount of text prompts due to the difficulties in aligning pretrained diffusion prior with the distribution of rendered images from various text prompts. Current state-of-the-arts such as Variational Score Distillation finetune the pretrained diffusion model to minimize the noise prediction error so as to align the distributions, which are however unstable to train and will impair the model's comprehension capability to numerous text prompts. Based on the observation that the diffusion models tend to have lower noise prediction errors at earlier timesteps, we propose Asynchronous Score Distillation (ASD), which minimizes the noise prediction error by shifting the diffusion timestep to earlier ones. ASD is stable to train and can scale up to 100k prompts. It reduces the noise prediction error without changing the weights of pre-trained diffusion model, thus keeping its strong comprehension capability to prompts. We conduct extensive experiments across different 2D diffusion models, including Stable Diffusion and MVDream, and text-to-3D generators, including Hyper-iNGP, 3DConv-Net and Triplane-Transformer. The results demonstrate ASD's effectiveness in stable 3D generator training, high-quality 3D content synthesis, and its superior prompt-consistency, especially under large prompt corpus.

Long-context models (LCMs) have demonstrated great potential in processing long sequences, facilitating many real-world applications. The success of LCMs can be attributed to their ability to locate implicit critical information within the context for further prediction. However, recent research reveals that LCMs are often susceptible to contextual noise, i.e., irrelevant tokens, that can mislead model attention. In this paper, we conduct a fine-grained analysis of the context noise and propose an effective metric, the Integrated Gradient (IG) score, to detect and quantify the noise information within the context. Our findings reveal that even simple mitigation of detected context noise can substantially boost the model's attention on critical tokens and benefit subsequent predictions. Building on this insight, we propose Context Denoising Training (CDT), a straightforward yet effective training strategy that improves attention on critical tokens while reinforcing their influence on model predictions. Extensive experiments across four tasks, under both context window scaling and long-context alignment settings, demonstrate the superiority of CDT. Notably, when trained with CDT, an open-source 8B model can achieve performance (50.92) comparable to GPT-4o (51.00).

Recent Multimodal Large Language Models (MLLMs) have demonstrated strong performance in visual grounding, establishing themselves as a general interface for various vision-language applications. This progress has driven the development of token pruning methods to mitigate the high computational costs associated with processing numerous visual tokens. However, we observe that pruning significantly weakens the model's grounding ability, leading to incorrect predictions and drastic performance degradation. In Referring Expression Comprehension (REC), for instance, pruning causes the accuracy of LLaVA on the RefCOCO validation set to drop from 56.14% to 15.34%. Our analysis identifies misaligned position IDs after pruning as the primary cause of this degradation, as both the order and value of these IDs are crucial for maintaining performance in grounding tasks. To address this issue, we propose Grounding-Aware Token Pruning (GAP), a simple yet effective adjustment to position IDs that recovers REC accuracy back to 51.42%, which is 90% of the original performance in the without pruning setting, all while requiring no additional training, memory, or computational overhead. Applied to models such as Shikra, MiniGPTv2, and the LLaVA series, our method consistently improves performance across various token pruning strategies.

Pretrained large language models (LLMs) are currently state-of-the-art for solving the vast majority of natural language processing tasks. While many real-world applications still require fine-tuning to reach satisfactory levels of performance, many of them are in the low-data regime, making fine-tuning challenging. To address this, we propose LLM2LLM, a targeted and iterative data augmentation strategy that uses a teacher LLM to enhance a small seed dataset by augmenting additional data that can be used for fine-tuning on a specific task. LLM2LLM (1) fine-tunes a baseline student LLM on the initial seed data, (2) evaluates and extracts data points that the model gets wrong, and (3) uses a teacher LLM to generate synthetic data based on these incorrect data points, which are then added back into the training data. This approach amplifies the signal from incorrectly predicted data points by the LLM during training and reintegrates them into the dataset to focus on more challenging examples for the LLM. Our results show that LLM2LLM significantly enhances the performance of LLMs in the low-data regime, outperforming both traditional fine-tuning and other data augmentation baselines. LLM2LLM reduces the dependence on labor-intensive data curation and paves the way for more scalable and performant LLM solutions, allowing us to tackle data-constrained domains and tasks. We achieve improvements up to 24.2% on the GSM8K dataset, 32.6% on CaseHOLD, 32.0% on SNIPS, 52.6% on TREC and 39.8% on SST-2 over regular fine-tuning in the low-data regime using a LLaMA2-7B student model.

Despite their capabilities, Large Language Models (LLMs) remain opaque with limited understanding of their internal representations. Current interpretability methods, such as direct logit attribution (DLA) and sparse autoencoders (SAEs), provide restricted insight due to limitations such as the model's output vocabulary or unclear feature names. This work introduces Hyperdimensional Probe, a novel paradigm for decoding information from the LLM vector space. It combines ideas from symbolic representations and neural probing to project the model's residual stream into interpretable concepts via Vector Symbolic Architectures (VSAs). This probe combines the strengths of SAEs and conventional probes while overcoming their key limitations. We validate our decoding paradigm with controlled input-completion tasks, probing the model's final state before next-token prediction on inputs spanning syntactic pattern recognition, key-value associations, and abstract inference. We further assess it in a question-answering setting, examining the state of the model both before and after text generation. Our experiments show that our probe reliably extracts meaningful concepts across varied LLMs, embedding sizes, and input domains, also helping identify LLM failures. Our work advances information decoding in LLM vector space, enabling extracting more informative, interpretable, and structured features from neural representations.

Despite the success of convolutional neural networks (CNNs) in many academic benchmarks for computer vision tasks, their application in the real-world is still facing fundamental challenges. One of these open problems is the inherent lack of robustness, unveiled by the striking effectiveness of adversarial attacks. Current attack methods are able to manipulate the network's prediction by adding specific but small amounts of noise to the input. In turn, adversarial training (AT) aims to achieve robustness against such attacks and ideally a better model generalization ability by including adversarial samples in the trainingset. However, an in-depth analysis of the resulting robust models beyond adversarial robustness is still pending. In this paper, we empirically analyze a variety of adversarially trained models that achieve high robust accuracies when facing state-of-the-art attacks and we show that AT has an interesting side-effect: it leads to models that are significantly less overconfident with their decisions, even on clean data than non-robust models. Further, our analysis of robust models shows that not only AT but also the model's building blocks (like activation functions and pooling) have a strong influence on the models' prediction confidences. Data & Project website: https://github.com/GeJulia/robustness_confidences_evaluation

Self-Rewarding Language Models propose an architecture in which the Large Language Models(LLMs) both generates responses and evaluates its own outputs via LLM-as-a-Judge prompting, dynamically improving its generative capabilities through iterative Direct Preference Optimization (DPO). However, our analysis reveals a critical limitation in existing Self-Rewarding paradigms: the synchronized improvement of chosen and rejected responses progressively narrows the representational difference between contrasting samples, undermining effective preference learning. We propose Temporal Self-Rewarding Language Models that strategically coordinate past, present, and future model generations to sustain learning signals. Our dual-phase framework introduces: (1) Anchored Rejection - fixing rejected responses using the past initial model's outputs and (2) Future-Guided Chosen - dynamically curating chosen samples using next-generation model predictions. Extensive experiments across three model families (Llama, Qwen, Mistral) and different model sizes (Llama3B/8B/70B) demonstrate significant improvements when trained with our method compared to Self-Rewarding using same computation resources. For example, Llama3.1-8B reaches a 29.44 win rate on AlpacaEval 2.0 with our method, outperforming the Self-Rewarding baseline (19.69) by 9.75. Notably, our method also demonstrates superior out-of-distribution generalization across mathematical reasoning (GSM8K), knowledge-based QA (ARC, TruthfulQA), and code generation (HumanEval) tasks, even though we do not specifically collect such training data.

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought (CoT) prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious mistakes and contradictions, raising doubts about their ability to robustly process and utilize generated rationales. In this work, we investigate CoT reasoning in LLMs through the lens of internal representations, focusing on how these representations are influenced by generated rationales. Our preliminary analysis reveals that while generated rationales improve answer accuracy, inconsistencies emerge between the model's internal representations in middle layers and those in final layers, potentially undermining the reliability of their reasoning processes. To address this, we propose internal consistency as a measure of the model's confidence by examining the agreement of latent predictions decoded from intermediate layers. Extensive empirical studies across different models and datasets demonstrate that internal consistency effectively distinguishes between correct and incorrect reasoning paths. Motivated by this, we propose a new approach to calibrate CoT reasoning by up-weighting reasoning paths with high internal consistency, resulting in a significant boost in reasoning performance. Further analysis uncovers distinct patterns in attention and feed-forward modules across layers, providing insights into the emergence of internal inconsistency. In summary, our results demonstrate the potential of using internal representations for self-evaluation of LLMs.

Diffusion models have demonstrated their effectiveness across various generative tasks. However, when applied to medical image segmentation, these models encounter several challenges, including significant resource and time requirements. They also necessitate a multi-step reverse process and multiple samples to produce reliable predictions. To address these challenges, we introduce the first latent diffusion segmentation model, named SDSeg, built upon stable diffusion (SD). SDSeg incorporates a straightforward latent estimation strategy to facilitate a single-step reverse process and utilizes latent fusion concatenation to remove the necessity for multiple samples. Extensive experiments indicate that SDSeg surpasses existing state-of-the-art methods on five benchmark datasets featuring diverse imaging modalities. Remarkably, SDSeg is capable of generating stable predictions with a solitary reverse step and sample, epitomizing the model's stability as implied by its name. The code is available at https://github.com/lin-tianyu/Stable-Diffusion-Seg

This study introduces a parameter-efficient Hierarchical Spatial Temporal Network (HiSTN) specifically designed for the task of emotion classification using multi-channel electroencephalogram data. The network incorporates a graph hierarchy constructed from bottom-up at various abstraction levels, offering the dual advantages of enhanced task-relevant deep feature extraction and a lightweight design. The model's effectiveness is further amplified when used in conjunction with a proposed unique label smoothing method. Comprehensive benchmark experiments reveal that this combined approach yields high, balanced performance in terms of both quantitative and qualitative predictions. HiSTN, which has approximately 1,000 parameters, achieves mean F1 scores of 96.82% (valence) and 95.62% (arousal) in subject-dependent tests on the rarely-utilized 5-classification task problem from the DREAMER dataset. In the subject-independent settings, the same model yields mean F1 scores of 78.34% for valence and 81.59% for arousal. The adoption of the Sequential Top-2 Hit Rate (Seq2HR) metric highlights the significant enhancements in terms of the balance between model's quantitative and qualitative for predictions achieved through our approach when compared to training with regular one-hot labels. These improvements surpass 50% in subject-dependent tasks and 30% in subject-independent tasks. The study also includes relevant ablation studies and case explorations to further elucidate the workings of the proposed model and enhance its interpretability.

Concept Bottleneck Models (CBMs) are regarded as inherently interpretable because they first predict a set of human-defined concepts which are used to predict a task label. For inherent interpretability to be fully realised, and ensure trust in a model's output, it's desirable for concept predictions to use semantically meaningful input features. For instance, in an image, pixels representing a broken bone should contribute to predicting a fracture. However, current literature suggests that concept predictions often rely on irrelevant input features. We hypothesise that this occurs when dataset labels include inaccurate concept annotations, or the relationship between input features and concepts is unclear. In general, the effect of dataset labelling on concept representations remains an understudied area. In this paper, we demonstrate that CBMs can learn to map concepts to semantically meaningful input features, by utilising datasets with a clear link between the input features and the desired concept predictions. This is achieved, for instance, by ensuring multiple concepts do not always co-occur and, therefore provide a clear training signal for the CBM to distinguish the relevant input features for each concept. We validate our hypothesis on both synthetic and real-world image datasets, and demonstrate under the correct conditions, CBMs can learn to attribute semantically meaningful input features to the correct concept predictions.

Multi-Label Text Classification (MLTC) aims to assign the most relevant labels to each given text. Existing methods demonstrate that label dependency can help to improve the model's performance. However, the introduction of label dependency may cause the model to suffer from unwanted prediction bias. In this study, we attribute the bias to the model's misuse of label dependency, i.e., the model tends to utilize the correlation shortcut in label dependency rather than fusing text information and label dependency for prediction. Motivated by causal inference, we propose a CounterFactual Text Classifier (CFTC) to eliminate the correlation bias, and make causality-based predictions. Specifically, our CFTC first adopts the predict-then-modify backbone to extract precise label information embedded in label dependency, then blocks the correlation shortcut through the counterfactual de-bias technique with the help of the human causal graph. Experimental results on three datasets demonstrate that our CFTC significantly outperforms the baselines and effectively eliminates the correlation bias in datasets.

This paper proposes a simple method for controllable text generation based on weighting logits with a free-form classifier, namely CAIF sampling. Using an arbitrary text classifier, we adjust a small part of a language model's logits and guide text generation towards or away from classifier prediction. We experimented with toxicity avoidance and sentiment control tasks and showed that the proposed method significantly outperforms recent PPLM, GeDi, and DExperts on PPL and task accuracy metrics based on the external classifier of generated texts. In addition, compared to other approaches, it is easier to implement and tune and has significantly fewer restrictions and requirements.

The inference process in Large Language Models (LLMs) is often limited due to the absence of parallelism in the auto-regressive decoding process, resulting in most operations being restricted by the memory bandwidth of accelerators. While methods such as speculative decoding have been suggested to address this issue, their implementation is impeded by the challenges associated with acquiring and maintaining a separate draft model. In this paper, we present Medusa, an efficient method that augments LLM inference by adding extra decoding heads to predict multiple subsequent tokens in parallel. Using a tree-based attention mechanism, Medusa constructs multiple candidate continuations and verifies them simultaneously in each decoding step. By leveraging parallel processing, Medusa introduces only minimal overhead in terms of single-step latency while substantially reducing the number of decoding steps required. We present two levels of fine-tuning procedures for Medusa to meet the needs of different use cases: Medusa-1: Medusa is directly fine-tuned on top of a frozen backbone LLM, enabling lossless inference acceleration. Medusa-2: Medusa is fine-tuned together with the backbone LLM, enabling better prediction accuracy of Medusa heads and higher speedup but needing a special training recipe that preserves the backbone model's capabilities. Moreover, we propose several extensions that improve or expand the utility of Medusa, including a self-distillation to handle situations where no training data is available and a typical acceptance scheme to boost the acceptance rate while maintaining generation quality. We evaluate Medusa on models of various sizes and training procedures. Our experiments demonstrate that Medusa-1 can achieve over 2.2x speedup without compromising generation quality, while Medusa-2 further improves the speedup to 2.3-3.6x.

Pretrained language models (PLMs) have made significant strides in various natural language processing tasks. However, the lack of interpretability due to their ``black-box'' nature poses challenges for responsible implementation. Although previous studies have attempted to improve interpretability by using, e.g., attention weights in self-attention layers, these weights often lack clarity, readability, and intuitiveness. In this research, we propose a novel approach to interpreting PLMs by employing high-level, meaningful concepts that are easily understandable for humans. For example, we learn the concept of ``Food'' and investigate how it influences the prediction of a model's sentiment towards a restaurant review. We introduce C^3M, which combines human-annotated and machine-generated concepts to extract hidden neurons designed to encapsulate semantically meaningful and task-specific concepts. Through empirical evaluations on real-world datasets, we manifest that our approach offers valuable insights to interpret PLM behavior, helps diagnose model failures, and enhances model robustness amidst noisy concept labels.

Autonomous driving visual question answering (AD-VQA) aims to answer questions related to perception, prediction, and planning based on given driving scene images, heavily relying on the model's spatial understanding capabilities. Prior works typically express spatial information through textual representations of coordinates, resulting in semantic gaps between visual coordinate representations and textual descriptions. This oversight hinders the accurate transmission of spatial information and increases the expressive burden. To address this, we propose a novel Marker-based Prompt learning framework (MPDrive), which represents spatial coordinates by concise visual markers, ensuring linguistic expressive consistency and enhancing the accuracy of both visual perception and spatial expression in AD-VQA. Specifically, we create marker images by employing a detection expert to overlay object regions with numerical labels, converting complex textual coordinate generation into straightforward text-based visual marker predictions. Moreover, we fuse original and marker images as scene-level features and integrate them with detection priors to derive instance-level features. By combining these features, we construct dual-granularity visual prompts that stimulate the LLM's spatial perception capabilities. Extensive experiments on the DriveLM and CODA-LM datasets show that MPDrive achieves state-of-the-art performance, particularly in cases requiring sophisticated spatial understanding.

The reasoning abilities of Large Language Models (LLMs) have demonstrated remarkable advancement and exceptional performance across diverse domains. However, leveraging these reasoning capabilities to enhance LLM safety against adversarial attacks and jailbreak queries remains largely unexplored. To bridge this gap, we propose Reasoning-to-Defend (R2D), a novel training paradigm that integrates safety reflections of queries and responses into LLMs' generation process, unlocking a safety-aware reasoning mechanism. This approach enables self-evaluation at each reasoning step to create safety pivot tokens as indicators of the response's safety status. Furthermore, in order to improve the learning efficiency of pivot token prediction, we propose Contrastive Pivot Optimization(CPO), which enhances the model's ability to perceive the safety status of dialogues. Through this mechanism, LLMs dynamically adjust their response strategies during reasoning, significantly enhancing their defense capabilities against jailbreak attacks. Extensive experimental results demonstrate that R2D effectively mitigates various attacks and improves overall safety, highlighting the substantial potential of safety-aware reasoning in strengthening LLMs' robustness against jailbreaks.

Understanding temporal dynamics is critical for conversational agents, enabling effective content analysis and informed decision-making. However, time-aware datasets, particularly for persona-grounded conversations, are still limited, which narrows their scope and diminishes their complexity. To address this gap, we introduce MTPChat, a multimodal, time-aware persona dialogue dataset that integrates linguistic, visual, and temporal elements within dialogue and persona memory. Leveraging MTPChat, we propose two time-sensitive tasks: Temporal Next Response Prediction (TNRP) and Temporal Grounding Memory Prediction (TGMP), both designed to assess a model's ability to understand implicit temporal cues and dynamic interactions. Additionally, we present an innovative framework featuring an adaptive temporal module to effectively integrate multimodal streams and capture temporal dependencies. Experimental results validate the challenges posed by MTPChat and demonstrate the effectiveness of our framework in multimodal time-sensitive scenarios.

Deep co-training has been introduced to semi-supervised segmentation and achieves impressive results, yet few studies have explored the working mechanism behind it. In this work, we revisit the core assumption that supports co-training: multiple compatible and conditionally independent views. By theoretically deriving the generalization upper bound, we prove the prediction similarity between two models negatively impacts the model's generalization ability. However, most current co-training models are tightly coupled together and violate this assumption. Such coupling leads to the homogenization of networks and confirmation bias which consequently limits the performance. To this end, we explore different dimensions of co-training and systematically increase the diversity from the aspects of input domains, different augmentations and model architectures to counteract homogenization. Our Diverse Co-training outperforms the state-of-the-art (SOTA) methods by a large margin across different evaluation protocols on the Pascal and Cityscapes. For example. we achieve the best mIoU of 76.2%, 77.7% and 80.2% on Pascal with only 92, 183 and 366 labeled images, surpassing the previous best results by more than 5%.

We present TexFusion (Texture Diffusion), a new method to synthesize textures for given 3D geometries, using large-scale text-guided image diffusion models. In contrast to recent works that leverage 2D text-to-image diffusion models to distill 3D objects using a slow and fragile optimization process, TexFusion introduces a new 3D-consistent generation technique specifically designed for texture synthesis that employs regular diffusion model sampling on different 2D rendered views. Specifically, we leverage latent diffusion models, apply the diffusion model's denoiser on a set of 2D renders of the 3D object, and aggregate the different denoising predictions on a shared latent texture map. Final output RGB textures are produced by optimizing an intermediate neural color field on the decodings of 2D renders of the latent texture. We thoroughly validate TexFusion and show that we can efficiently generate diverse, high quality and globally coherent textures. We achieve state-of-the-art text-guided texture synthesis performance using only image diffusion models, while avoiding the pitfalls of previous distillation-based methods. The text-conditioning offers detailed control and we also do not rely on any ground truth 3D textures for training. This makes our method versatile and applicable to a broad range of geometry and texture types. We hope that TexFusion will advance AI-based texturing of 3D assets for applications in virtual reality, game design, simulation, and more.

In the landscape of Recommender System (RS) applications, reinforcement learning (RL) has recently emerged as a powerful tool, primarily due to its proficiency in optimizing long-term rewards. Nevertheless, it suffers from instability in the learning process, stemming from the intricate interactions among bootstrapping, off-policy training, and function approximation. Moreover, in multi-reward recommendation scenarios, designing a proper reward setting that reconciles the inner dynamics of various tasks is quite intricate. In response to these challenges, we introduce DT4IER, an advanced decision transformer-based recommendation model that is engineered to not only elevate the effectiveness of recommendations but also to achieve a harmonious balance between immediate user engagement and long-term retention. The DT4IER applies an innovative multi-reward design that adeptly balances short and long-term rewards with user-specific attributes, which serve to enhance the contextual richness of the reward sequence ensuring a more informed and personalized recommendation process. To enhance its predictive capabilities, DT4IER incorporates a high-dimensional encoder, skillfully designed to identify and leverage the intricate interrelations across diverse tasks. Furthermore, we integrate a contrastive learning approach within the action embedding predictions, a strategy that significantly boosts the model's overall performance. Experiments on three real-world datasets demonstrate the effectiveness of DT4IER against state-of-the-art Sequential Recommender Systems (SRSs) and Multi-Task Learning (MTL) models in terms of both prediction accuracy and effectiveness in specific tasks. The source code is accessible online to facilitate replication

Offline Reinforcement Learning (RL) is structured to derive policies from static trajectory data without requiring real-time environment interactions. Recent studies have shown the feasibility of framing offline RL as a sequence modeling task, where the sole aim is to predict actions based on prior context using the transformer architecture. However, the limitation of this single task learning approach is its potential to undermine the transformer model's attention mechanism, which should ideally allocate varying attention weights across different tokens in the input context for optimal prediction. To address this, we reformulate offline RL as a multi-objective optimization problem, where the prediction is extended to states and returns. We also highlight a potential flaw in the trajectory representation used for sequence modeling, which could generate inaccuracies when modeling the state and return distributions. This is due to the non-smoothness of the action distribution within the trajectory dictated by the behavioral policy. To mitigate this issue, we introduce action space regions to the trajectory representation. Our experiments on D4RL benchmark locomotion tasks reveal that our propositions allow for more effective utilization of the attention mechanism in the transformer model, resulting in performance that either matches or outperforms current state-of-the art methods.

Transformers, currently the state-of-the-art in natural language understanding (NLU) tasks, are prone to generate uncalibrated predictions or extreme probabilities, making the process of taking different decisions based on their output relatively difficult. In this paper we propose to build several inductive Venn--ABERS predictors (IVAP), which are guaranteed to be well calibrated under minimal assumptions, based on a selection of pre-trained transformers. We test their performance over a set of diverse NLU tasks and show that they are capable of producing well-calibrated probabilistic predictions that are uniformly spread over the [0,1] interval -- all while retaining the original model's predictive accuracy.

Despite tremendous recent progress, generative video models still struggle to capture real-world motion, dynamics, and physics. We show that this limitation arises from the conventional pixel reconstruction objective, which biases models toward appearance fidelity at the expense of motion coherence. To address this, we introduce VideoJAM, a novel framework that instills an effective motion prior to video generators, by encouraging the model to learn a joint appearance-motion representation. VideoJAM is composed of two complementary units. During training, we extend the objective to predict both the generated pixels and their corresponding motion from a single learned representation. During inference, we introduce Inner-Guidance, a mechanism that steers the generation toward coherent motion by leveraging the model's own evolving motion prediction as a dynamic guidance signal. Notably, our framework can be applied to any video model with minimal adaptations, requiring no modifications to the training data or scaling of the model. VideoJAM achieves state-of-the-art performance in motion coherence, surpassing highly competitive proprietary models while also enhancing the perceived visual quality of the generations. These findings emphasize that appearance and motion can be complementary and, when effectively integrated, enhance both the visual quality and the coherence of video generation. Project website: https://hila-chefer.github.io/videojam-paper.github.io/

The rapid evolution of software libraries presents a significant challenge for code generation models, which must adapt to frequent version updates while maintaining compatibility with previous versions. Existing code completion benchmarks often overlook this dynamic aspect, and the one that does consider it relies on static code prediction tasks without execution-based evaluation, offering a limited perspective on a model's practical usability. To address this gap, we introduce \GitChameleon{}, a novel, manually curated dataset comprising 116 Python code completion problems, each conditioned on specific library versions and accompanied by executable unit tests. is designed to rigorously assess the ability of modern large language models (LLMs) to generate version-specific code that is not only syntactically correct but also functionally accurate upon execution. Our comprehensive evaluations reveal that state-of-the-art LLMs struggle with this task; for instance, GPT-4o achieves a pass@10 of only 39.9\% (43.7\% when provided with error feedback), highlighting the complexity of the problem and the limitations of current models. By providing an execution-based benchmark that emphasizes the dynamic nature of code libraries, serves as a critical tool to advance the development of more adaptable and reliable code generation models. For facilitation for further exploration of version-conditioned code generation, we make our code repository publicly accessible at https://github.com/NizarIslah/GitChameleon.

Commonsense reasoning is fundamentally based on multimodal knowledge. However, existing large language models (LLMs) are primarily trained using textual data only, limiting their ability to incorporate essential visual information. In contrast, Visual Language Models, which excel at visually-oriented tasks, often fail at non-visual tasks such as basic commonsense reasoning. This divergence highlights a critical challenge - the integration of robust visual understanding with foundational text-based language reasoning. To this end, we introduce a method aimed at enhancing LLMs' visual commonsense. Specifically, our method generates multiple images based on the input text prompt and integrates these into the model's decision-making process by mixing their prediction probabilities. To facilitate multimodal grounded language modeling, we employ a late-fusion layer that combines the projected visual features with the output of a pre-trained LLM conditioned on text only. This late-fusion layer enables predictions based on comprehensive image-text knowledge as well as text only when this is required. We evaluate our approach using several visual commonsense reasoning tasks together with traditional NLP tasks, including common sense reasoning and reading comprehension. Our experimental results demonstrate significant superiority over existing baselines. When applied to recent state-of-the-art LLMs (e.g., Llama3), we observe improvements not only in visual common sense but also in traditional NLP benchmarks. Code and models are available under https://github.com/guyyariv/vLMIG.

Learning from human feedback has enabled the alignment of language models (LMs) with human preferences. However, directly collecting human preferences can be expensive, time-consuming, and can have high variance. An appealing alternative is to distill preferences from LMs as a source of synthetic annotations as they are more consistent, cheaper, and scale better than human annotation; however, they are also prone to biases and errors. In this work, we introduce a routing framework that combines inputs from humans and LMs to achieve better annotation quality, while reducing the total cost of human annotation. The crux of our approach is to identify preference instances that will benefit from human annotations. We formulate this as an optimization problem: given a preference dataset and an evaluation metric, we train a performance prediction model to predict a reward model's performance on an arbitrary combination of human and LM annotations and employ a routing strategy that selects a combination that maximizes predicted performance. We train the performance prediction model on MultiPref, a new preference dataset with 10K instances paired with human and LM labels. We show that the selected hybrid mixture of LM and direct human preferences using our routing framework achieves better reward model performance compared to using either one exclusively. We simulate selective human preference collection on three other datasets and show that our method generalizes well to all three. We analyze features from the routing model to identify characteristics of instances that can benefit from human feedback, e.g., prompts with a moderate safety concern or moderate intent complexity. We release the dataset, annotation platform, and source code used in this study to foster more efficient and accurate preference collection in the future.

We propose a learning-based method to recover normals, specularity, and roughness from a single diffuse image of a material, using microgeometry appearance as our primary cue. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. In contrast, in this work, we propose a novel capture approach that leverages a generative network with attention and a U-Net discriminator, which shows outstanding performance integrating global information at reduced computational complexity. We showcase the performance of our method with a real dataset of digitized textile materials and show that a commodity flatbed scanner can produce the type of diffuse illumination required as input to our method. Additionally, because the problem might be illposed -more than a single diffuse image might be needed to disambiguate the specular reflection- or because the training dataset is not representative enough of the real distribution, we propose a novel framework to quantify the model's confidence about its prediction at test time. Our method is the first one to deal with the problem of modeling uncertainty in material digitization, increasing the trustworthiness of the process and enabling more intelligent strategies for dataset creation, as we demonstrate with an active learning experiment.

As large language models (LLMs) are increasingly deployed in user-facing applications, building trust and maintaining safety by accurately quantifying a model's confidence in its prediction becomes even more important. However, finding effective ways to calibrate LLMs - especially when the only interface to the models is their generated text - remains a challenge. We propose APRICOT (auxiliary prediction of confidence targets): A method to set confidence targets and train an additional model that predicts an LLM's confidence based on its textual input and output alone. This approach has several advantages: It is conceptually simple, does not require access to the target model beyond its output, does not interfere with the language generation, and has a multitude of potential usages, for instance by verbalizing the predicted confidence or adjusting the given answer based on the confidence. We show how our approach performs competitively in terms of calibration error for white-box and black-box LLMs on closed-book question-answering to detect incorrect LLM answers.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

Phishing attacks remain one of the most prevalent and persistent cybersecurity threat with attackers continuously evolving and intensifying tactics to evade the general detection system. Despite significant advances in artificial intelligence and machine learning, faithfully reproducing the interpretable reasoning with classification and explainability that underpin phishing judgments remains challenging. Due to recent advancement in Natural Language Processing, Large Language Models (LLMs) show a promising direction and potential for improving domain specific phishing classification tasks. However, enhancing the reliability and robustness of classification models requires not only accurate predictions from LLMs but also consistent and trustworthy explanations aligning with those predictions. Therefore, a key question remains: can LLMs not only classify phishing emails accurately but also generate explanations that are reliably aligned with their predictions and internally self-consistent? To answer these questions, we have fine-tuned transformer based models, including BERT, Llama models, and Wizard, to improve domain relevance and make them more tailored to phishing specific distinctions, using Binary Sequence Classification, Contrastive Learning (CL) and Direct Preference Optimization (DPO). To that end, we examined their performance in phishing classification and explainability by applying the ConsistenCy measure based on SHAPley values (CC SHAP), which measures prediction explanation token alignment to test the model's internal faithfulness and consistency and uncover the rationale behind its predictions and reasoning. Overall, our findings show that Llama models exhibit stronger prediction explanation token alignment with higher CC SHAP scores despite lacking reliable decision making accuracy, whereas Wizard achieves better prediction accuracy but lower CC SHAP scores.

Neural networks often learn simple explanations that fit the majority of the data while memorizing exceptions that deviate from these explanations.This behavior leads to poor generalization when the learned explanations rely on spurious correlations. In this work, we formalize the interplay between memorization and generalization, showing that spurious correlations would particularly lead to poor generalization when are combined with memorization. Memorization can reduce training loss to zero, leaving no incentive to learn robust, generalizable patterns. To address this, we propose memorization-aware training (MAT), which uses held-out predictions as a signal of memorization to shift a model's logits. MAT encourages learning robust patterns invariant across distributions, improving generalization under distribution shifts.

Large language models (LLMs) have recently achieved impressive performance across a wide range of natural language tasks and are now widely used in real-world applications. Among them, black-box LLMs--served via APIs without access to model internals--are especially dominant due to their scalability and ease of deployment. Despite their strong capabilities, these models typically produce generalized responses that overlook personal preferences and reasoning styles. This has led to growing interest in black-box LLM personalization, which aims to tailor model outputs to user-specific context without modifying model parameters. However, existing approaches primarily focus on response-level personalization, attempting to match final outputs without modeling personal thought process. To address this limitation, we propose RPM, a framework for reasoning-level personalization that aligns the model's reasoning process with a user's personalized logic. RPM first constructs statistical user-specific factors by extracting and grouping response-influential features from user history. It then builds personalized reasoning paths that reflect how these factors are used in context. In the inference stage, RPM retrieves reasoning-aligned examples for new queries via feature-level similarity and performs inference conditioned on the structured factors and retrieved reasoning paths, enabling the model to follow user-specific reasoning trajectories. This reasoning-level personalization enhances both predictive accuracy and interpretability by grounding model outputs in user-specific logic through structured information. Extensive experiments across diverse tasks show that RPM consistently outperforms response-level personalization methods, demonstrating the effectiveness of reasoning-level personalization in black-box LLMs.

Quantifying the uncertainty of predictions made by large language models (LLMs) in binary text classification tasks remains a challenge. Calibration, in the context of LLMs, refers to the alignment between the model's predicted probabilities and the actual correctness of its predictions. A well-calibrated model should produce probabilities that accurately reflect the likelihood of its predictions being correct. We propose a novel approach that utilizes the inductive Venn--Abers predictor (IVAP) to calibrate the probabilities associated with the output tokens corresponding to the binary labels. Our experiments on the BoolQ dataset using the Llama 2 model demonstrate that IVAP consistently outperforms the commonly used temperature scaling method for various label token choices, achieving well-calibrated probabilities while maintaining high predictive quality. Our findings contribute to the understanding of calibration techniques for LLMs and provide a practical solution for obtaining reliable uncertainty estimates in binary question answering tasks, enhancing the interpretability and trustworthiness of LLM predictions.

The lack of interpretability of the Vision Transformer may hinder its use in critical real-world applications despite its effectiveness. To overcome this issue, we propose a post-hoc interpretability method called VISION DIFFMASK, which uses the activations of the model's hidden layers to predict the relevant parts of the input that contribute to its final predictions. Our approach uses a gating mechanism to identify the minimal subset of the original input that preserves the predicted distribution over classes. We demonstrate the faithfulness of our method, by introducing a faithfulness task, and comparing it to other state-of-the-art attribution methods on CIFAR-10 and ImageNet-1K, achieving compelling results. To aid reproducibility and further extension of our work, we open source our implementation: https://github.com/AngelosNal/Vision-DiffMask

Image memes and specifically their widely-known variation image macros, is a special new media type that combines text with images and is used in social media to playfully or subtly express humour, irony, sarcasm and even hate. It is important to accurately retrieve image memes from social media to better capture the cultural and social aspects of online phenomena and detect potential issues (hate-speech, disinformation). Essentially, the background image of an image macro is a regular image easily recognized as such by humans but cumbersome for the machine to do so due to feature map similarity with the complete image macro. Hence, accumulating suitable feature maps in such cases can lead to deep understanding of the notion of image memes. To this end, we propose a methodology, called Visual Part Utilization, that utilizes the visual part of image memes as instances of the regular image class and the initial image memes as instances of the image meme class to force the model to concentrate on the critical parts that characterize an image meme. Additionally, we employ a trainable attention mechanism on top of a standard ViT architecture to enhance the model's ability to focus on these critical parts and make the predictions interpretable. Several training and test scenarios involving web-scraped regular images of controlled text presence are considered for evaluating the model in terms of robustness and accuracy. The findings indicate that light visual part utilization combined with sufficient text presence during training provides the best and most robust model, surpassing state of the art. Source code and dataset are available at https://github.com/mever-team/memetector.

Recent language model (LM) advancements have showcased impressive zero-shot voice conversion (VC) performance. However, existing LM-based VC models usually apply offline conversion from source semantics to acoustic features, demanding the complete source speech, and limiting their deployment to real-time applications. In this paper, we introduce StreamVoice, a novel streaming LM-based model for zero-shot VC, facilitating real-time conversion given arbitrary speaker prompts and source speech. Specifically, to enable streaming capability, StreamVoice employs a fully causal context-aware LM with a temporal-independent acoustic predictor, while alternately processing semantic and acoustic features at each time step of autoregression which eliminates the dependence on complete source speech. To address the potential performance degradation from the incomplete context in streaming processing, we enhance the context-awareness of the LM through two strategies: 1) teacher-guided context foresight, using a teacher model to summarize the present and future semantic context during training to guide the model's forecasting for missing context; 2) semantic masking strategy, promoting acoustic prediction from preceding corrupted semantic and acoustic input, enhancing context-learning ability. Notably, StreamVoice is the first LM-based streaming zero-shot VC model without any future look-ahead. Experimental results demonstrate StreamVoice's streaming conversion capability while maintaining zero-shot performance comparable to non-streaming VC systems.

This paper presents the Jazz Transformer, a generative model that utilizes a neural sequence model called the Transformer-XL for modeling lead sheets of Jazz music. Moreover, the model endeavors to incorporate structural events present in the Weimar Jazz Database (WJazzD) for inducing structures in the generated music. While we are able to reduce the training loss to a low value, our listening test suggests however a clear gap between the average ratings of the generated and real compositions. We therefore go one step further and conduct a series of computational analysis of the generated compositions from different perspectives. This includes analyzing the statistics of the pitch class, grooving, and chord progression, assessing the structureness of the music with the help of the fitness scape plot, and evaluating the model's understanding of Jazz music through a MIREX-like continuation prediction task. Our work presents in an analytical manner why machine-generated music to date still falls short of the artwork of humanity, and sets some goals for future work on automatic composition to further pursue.

Understanding why a model makes a certain prediction can be as crucial as the prediction's accuracy in many applications. However, the highest accuracy for large modern datasets is often achieved by complex models that even experts struggle to interpret, such as ensemble or deep learning models, creating a tension between accuracy and interpretability. In response, various methods have recently been proposed to help users interpret the predictions of complex models, but it is often unclear how these methods are related and when one method is preferable over another. To address this problem, we present a unified framework for interpreting predictions, SHAP (SHapley Additive exPlanations). SHAP assigns each feature an importance value for a particular prediction. Its novel components include: (1) the identification of a new class of additive feature importance measures, and (2) theoretical results showing there is a unique solution in this class with a set of desirable properties. The new class unifies six existing methods, notable because several recent methods in the class lack the proposed desirable properties. Based on insights from this unification, we present new methods that show improved computational performance and/or better consistency with human intuition than previous approaches.

Alongside neuroimaging such as MRI scans and PET, Alzheimer's disease (AD) datasets contain valuable tabular data including AD biomarkers and clinical assessments. Existing computer vision approaches struggle to utilize this additional information. To address these needs, we propose a generalizable framework for multimodal contrastive learning of image data and tabular data, a novel tabular attention module for amplifying and ranking salient features in tables, and the application of these techniques onto Alzheimer's disease prediction. Experimental evaulations demonstrate the strength of our framework by detecting Alzheimer's disease (AD) from over 882 MR image slices from the ADNI database. We take advantage of the high interpretability of tabular data and our novel tabular attention approach and through attribution of the attention scores for each row of the table, we note and rank the most predominant features. Results show that the model is capable of an accuracy of over 83.8%, almost a 10% increase from previous state of the art.

Self-supervised learning (SSL) speech models such as wav2vec and HuBERT have demonstrated state-of-the-art performance on automatic speech recognition (ASR) and proved to be extremely useful in low label-resource settings. However, the success of SSL models has yet to transfer to utterance-level tasks such as speaker, emotion, and language recognition, which still require supervised fine-tuning of the SSL models to obtain good performance. We argue that the problem is caused by the lack of disentangled representations and an utterance-level learning objective for these tasks. Inspired by how HuBERT uses clustering to discover hidden acoustic units, we formulate a factor analysis (FA) model that uses the discovered hidden acoustic units to align the SSL features. The underlying utterance-level representations are disentangled from the content of speech using probabilistic inference on the aligned features. Furthermore, the variational lower bound derived from the FA model provides an utterance-level objective, allowing error gradients to be backpropagated to the Transformer layers to learn highly discriminative acoustic units. When used in conjunction with HuBERT's masked prediction training, our models outperform the current best model, WavLM, on all utterance-level non-semantic tasks on the SUPERB benchmark with only 20% of labeled data.

Finetuning large language models (LLMs) has been empirically effective on a variety of downstream tasks. Existing approaches to finetuning an LLM either focus on parameter-efficient finetuning, which only updates a small number of trainable parameters, or attempt to reduce the memory footprint during the training phase of the finetuning. Typically, the memory footprint during finetuning stems from three contributors: model weights, optimizer states, and intermediate activations. However, existing works still require considerable memory and none can simultaneously mitigate memory footprint for all three sources. In this paper, we present Quantized Side Tuing (QST), which enables memory-efficient and fast finetuning of LLMs by operating through a dual-stage process. First, QST quantizes an LLM's model weights into 4-bit to reduce the memory footprint of the LLM's original weights; QST also introduces a side network separated from the LLM, which utilizes the hidden states of the LLM to make task-specific predictions. Using a separate side network avoids performing backpropagation through the LLM, thus reducing the memory requirement of the intermediate activations. Furthermore, QST leverages several low-rank adaptors and gradient-free downsample modules to significantly reduce the trainable parameters, so as to save the memory footprint of the optimizer states. Experiments show that QST can reduce the total memory footprint by up to 2.3 times and speed up the finetuning process by up to 3 times while achieving competent performance compared with the state-of-the-art. When it comes to full finetuning, QST can reduce the total memory footprint up to 7 times.

As object detection techniques continue to evolve, understanding their relationships with complementary visual tasks becomes crucial for optimising model architectures and computational resources. This paper investigates the correlations between object detection accuracy and two fundamental visual tasks: depth prediction and visual saliency prediction. Through comprehensive experiments using state-of-the-art models (DeepGaze IIE, Depth Anything, DPT-Large, and Itti's model) on COCO and Pascal VOC datasets, we find that visual saliency shows consistently stronger correlations with object detection accuracy (mArho up to 0.459 on Pascal VOC) compared to depth prediction (mArho up to 0.283). Our analysis reveals significant variations in these correlations across object categories, with larger objects showing correlation values up to three times higher than smaller objects. These findings suggest incorporating visual saliency features into object detection architectures could be more beneficial than depth information, particularly for specific object categories. The observed category-specific variations also provide insights for targeted feature engineering and dataset design improvements, potentially leading to more efficient and accurate object detection systems.

To meet the growing mobility needs in intra-city transportation, the concept of urban air mobility (UAM) has been proposed in which vertical takeoff and landing (VTOL) aircraft are used to provide a ride-hailing service. In UAM, aircraft can operate in designated air spaces known as corridors, that link the aerodromes. A reliable communication network between GBSs and aircraft enables UAM to adequately utilize the airspace and create a fast, efficient, and safe transportation system. In this paper, to characterize the wireless connectivity performance for UAM, a spatial model is proposed. For this setup, the distribution of the distance between an arbitrarily selected GBS and its associated aircraft and the Laplace transform of the interference experienced by the GBS are derived. Using these results, the signal-to-interference ratio (SIR)-based connectivity probability is determined to capture the connectivity performance of the UAM aircraft-to-ground communication network. Then, leveraging these connectivity results, a wireless-enabled asynchronous federated learning (AFL) framework that uses a Fourier neural network is proposed to tackle the challenging problem of turbulence prediction during UAM operations. For this AFL scheme, a staleness-aware global aggregation scheme is introduced to expedite the convergence to the optimal turbulence prediction model used by UAM aircraft. Simulation results validate the theoretical derivations for the UAM wireless connectivity. The results also demonstrate that the proposed AFL framework converges to the optimal turbulence prediction model faster than the synchronous federated learning baselines and a staleness-free AFL approach. Furthermore, the results characterize the performance of wireless connectivity and convergence of the aircraft's turbulence model under different parameter settings, offering useful UAM design guidelines.

Diffusion-based Large Language Models (dLLMs) have emerged as a competitive alternative to autoregressive models, offering unique advantages through bidirectional attention and parallel generation paradigms. However, the generation results of current parallel decoding methods deviate from stepwise decoding, introducing potential performance degradation, which limits their practical deployment. To address this problem, we propose Self Speculative Decoding (SSD), a lossless inference acceleration method that leverages the dLLM itself as both speculative decoding drafter and verifier without auxiliary modules. SSD introduces a self-drafting mechanism where the model generates predictions for multiple positions, then verifies them through hierarchical verification trees in a single forward pass. Unlike traditional speculative decoding that requires separate draft models, SSD eliminates model redundancy and memory overhead by exploiting the dLLM's inherent parallel prediction capability for multiple positions. This self-speculative approach allows the model to progressively verify and accept multiple tokens in a single forward pass. Our experiments demonstrate that SSD achieves up to 3.46times speedup while keeping the output identical to stepwise decoding on open source models such as LLaDA and Dream. Code will be made publicly available on GitHub.

In today's digital age, conspiracies and information campaigns can emerge rapidly and erode social and democratic cohesion. While recent deep learning approaches have made progress in modeling engagement through language and propagation models, they struggle with irregularly sampled data and early trajectory assessment. We present IC-Mamba, a novel state space model that forecasts social media engagement by modeling interval-censored data with integrated temporal embeddings. Our model excels at predicting engagement patterns within the crucial first 15-30 minutes of posting (RMSE 0.118-0.143), enabling rapid assessment of content reach. By incorporating interval-censored modeling into the state space framework, IC-Mamba captures fine-grained temporal dynamics of engagement growth, achieving a 4.72% improvement over state-of-the-art across multiple engagement metrics (likes, shares, comments, and emojis). Our experiments demonstrate IC-Mamba's effectiveness in forecasting both post-level dynamics and broader narrative patterns (F1 0.508-0.751 for narrative-level predictions). The model maintains strong predictive performance across extended time horizons, successfully forecasting opinion-level engagement up to 28 days ahead using observation windows of 3-10 days. These capabilities enable earlier identification of potentially problematic content, providing crucial lead time for designing and implementing countermeasures. Code is available at: https://github.com/ltian678/ic-mamba. An interactive dashboard demonstrating our results is available at: https://ic-mamba.behavioral-ds.science.

Accurately predicting the future would be an important milestone in the capabilities of artificial intelligence. However, research on the ability of large language models to provide probabilistic predictions about future events remains nascent. To empirically test this ability, we enrolled OpenAI's state-of-the-art large language model, GPT-4, in a three-month forecasting tournament hosted on the Metaculus platform. The tournament, running from July to October 2023, attracted 843 participants and covered diverse topics including Big Tech, U.S. politics, viral outbreaks, and the Ukraine conflict. Focusing on binary forecasts, we show that GPT-4's probabilistic forecasts are significantly less accurate than the median human-crowd forecasts. We find that GPT-4's forecasts did not significantly differ from the no-information forecasting strategy of assigning a 50% probability to every question. We explore a potential explanation, that GPT-4 might be predisposed to predict probabilities close to the midpoint of the scale, but our data do not support this hypothesis. Overall, we find that GPT-4 significantly underperforms in real-world predictive tasks compared to median human-crowd forecasts. A potential explanation for this underperformance is that in real-world forecasting tournaments, the true answers are genuinely unknown at the time of prediction; unlike in other benchmark tasks like professional exams or time series forecasting, where strong performance may at least partly be due to the answers being memorized from the training data. This makes real-world forecasting tournaments an ideal environment for testing the generalized reasoning and prediction capabilities of artificial intelligence going forward.

Battery degradation remains a critical challenge in the pursuit of green technologies and sustainable energy solutions. Despite significant research efforts, predicting battery capacity loss accurately remains a formidable task due to its complex nature, influenced by both aging and cycling behaviors. To address this challenge, we introduce a novel general-purpose model for battery degradation prediction and synthesis, DiffBatt. Leveraging an innovative combination of conditional and unconditional diffusion models with classifier-free guidance and transformer architecture, DiffBatt achieves high expressivity and scalability. DiffBatt operates as a probabilistic model to capture uncertainty in aging behaviors and a generative model to simulate battery degradation. The performance of the model excels in prediction tasks while also enabling the generation of synthetic degradation curves, facilitating enhanced model training by data augmentation. In the remaining useful life prediction task, DiffBatt provides accurate results with a mean RMSE of 196 cycles across all datasets, outperforming all other models and demonstrating superior generalizability. This work represents an important step towards developing foundational models for battery degradation.

Stock Price Trend Prediction (SPTP) based on Limit Order Book (LOB) data is a fundamental challenge in financial markets. Despite advances in deep learning, existing models fail to generalize across different market conditions and struggle to reliably predict short-term trends. Surprisingly, by adapting a simple MLP-based architecture to LOB, we show that we surpass SoTA performance; thus, challenging the necessity of complex architectures. Unlike past work that shows robustness issues, we propose TLOB, a transformer-based model that uses a dual attention mechanism to capture spatial and temporal dependencies in LOB data. This allows it to adaptively focus on the market microstructure, making it particularly effective for longer-horizon predictions and volatile market conditions. We also introduce a new labeling method that improves on previous ones, removing the horizon bias. We evaluate TLOB's effectiveness using the established FI-2010 benchmark, which exceeds the state-of-the-art by an average of 3.7 F1-score(\%). Additionally, TLOB shows improvements on Tesla and Intel with a 1.3 and 7.7 increase in F1-score(\%), respectively. Additionally, we empirically show how stock price predictability has declined over time (-6.68 absolute points in F1-score(\%)), highlighting the growing market efficiencies. Predictability must be considered in relation to transaction costs, so we experimented with defining trends using an average spread, reflecting the primary transaction cost. The resulting performance deterioration underscores the complexity of translating trend classification into profitable trading strategies. We argue that our work provides new insights into the evolving landscape of stock price trend prediction and sets a strong foundation for future advancements in financial AI. We release the code at https://github.com/LeonardoBerti00/TLOB.

Recently, State Space Models (SSMs) with efficient hardware-aware designs, i.e., Mamba, have demonstrated significant potential in computer vision tasks due to their linear computational complexity with respect to token length and their global receptive field. However, Mamba's performance on dense prediction tasks, including human pose estimation and semantic segmentation, has been constrained by three key challenges: insufficient inductive bias, long-range forgetting, and low-resolution output representation. To address these challenges, we introduce the Dynamic Visual State Space (DVSS) block, which utilizes multi-scale convolutional kernels to extract local features across different scales and enhance inductive bias, and employs deformable convolution to mitigate the long-range forgetting problem while enabling adaptive spatial aggregation based on input and task-specific information. By leveraging the multi-resolution parallel design proposed in HRNet, we introduce High-Resolution Visual State Space Model (HRVMamba) based on the DVSS block, which preserves high-resolution representations throughout the entire process while promoting effective multi-scale feature learning. Extensive experiments highlight HRVMamba's impressive performance on dense prediction tasks, achieving competitive results against existing benchmark models without bells and whistles. Code is available at https://github.com/zhanghao5201/HRVMamba.

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

With the increasing volume of high-frequency data in the information age, both challenges and opportunities arise in the prediction of stock volatility. On one hand, the outcome of prediction using tradition method combining stock technical and macroeconomic indicators still leaves room for improvement; on the other hand, macroeconomic indicators and peoples' search record on those search engines affecting their interested topics will intuitively have an impact on the stock volatility. For the convenience of assessment of the influence of these indicators, macroeconomic indicators and stock technical indicators are then grouped into objective factors, while Baidu search indices implying people's interested topics are defined as subjective factors. To align different frequency data, we introduce GARCH-MIDAS model. After mixing all the above data, we then feed them into Transformer model as part of the training data. Our experiments show that this model outperforms the baselines in terms of mean square error. The adaption of both types of data under Transformer model significantly reduces the mean square error from 1.00 to 0.86.

Recent advances in Language Models have enabled the protein modeling community with a powerful tool since protein sequences can be represented as text. Specifically, by taking advantage of Transformers, sequence-to-property prediction will be amenable without the need for explicit structural data. In this work, inspired by recent progress in Large Language Models (LLMs), we introduce PeptideBERT, a protein language model for predicting three key properties of peptides (hemolysis, solubility, and non-fouling). The PeptideBert utilizes the ProtBERT pretrained transformer model with 12 attention heads and 12 hidden layers. We then finetuned the pretrained model for the three downstream tasks. Our model has achieved state of the art (SOTA) for predicting Hemolysis, which is a task for determining peptide's potential to induce red blood cell lysis. Our PeptideBert non-fouling model also achieved remarkable accuracy in predicting peptide's capacity to resist non-specific interactions. This model, trained predominantly on shorter sequences, benefits from the dataset where negative examples are largely associated with insoluble peptides. Codes, models, and data used in this study are freely available at: https://github.com/ChakradharG/PeptideBERT

This paper introduces TopoDiffuser, a diffusion-based framework for multimodal trajectory prediction that incorporates topometric maps to generate accurate, diverse, and road-compliant future motion forecasts. By embedding structural cues from topometric maps into the denoising process of a conditional diffusion model, the proposed approach enables trajectory generation that naturally adheres to road geometry without relying on explicit constraints. A multimodal conditioning encoder fuses LiDAR observations, historical motion, and route information into a unified bird's-eye-view (BEV) representation. Extensive experiments on the KITTI benchmark demonstrate that TopoDiffuser outperforms state-of-the-art methods, while maintaining strong geometric consistency. Ablation studies further validate the contribution of each input modality, as well as the impact of denoising steps and the number of trajectory samples. To support future research, we publicly release our code at https://github.com/EI-Nav/TopoDiffuser.

Non-coding RNA structure and function are essential to understanding various biological processes, such as cell signaling, gene expression, and post-transcriptional regulations. These are all among the core problems in the RNA field. With the rapid growth of sequencing technology, we have accumulated a massive amount of unannotated RNA sequences. On the other hand, expensive experimental observatory results in only limited numbers of annotated data and 3D structures. Hence, it is still challenging to design computational methods for predicting their structures and functions. The lack of annotated data and systematic study causes inferior performance. To resolve the issue, we propose a novel RNA foundation model (RNA-FM) to take advantage of all the 23 million non-coding RNA sequences through self-supervised learning. Within this approach, we discover that the pre-trained RNA-FM could infer sequential and evolutionary information of non-coding RNAs without using any labels. Furthermore, we demonstrate RNA-FM's effectiveness by applying it to the downstream secondary/3D structure prediction, SARS-CoV-2 genome structure and evolution prediction, protein-RNA binding preference modeling, and gene expression regulation modeling. The comprehensive experiments show that the proposed method improves the RNA structural and functional modelling results significantly and consistently. Despite only being trained with unlabelled data, RNA-FM can serve as the foundational model for the field.

It is of great significance to estimate the performance of a given model architecture without training in the application of Neural Architecture Search (NAS) as it may take a lot of time to evaluate the performance of an architecture. In this paper, a novel NAS framework called GP-NAS-ensemble is proposed to predict the performance of a neural network architecture with a small training dataset. We make several improvements on the GP-NAS model to make it share the advantage of ensemble learning methods. Our method ranks second in the CVPR2022 second lightweight NAS challenge performance prediction track.

Bank credit risk is a significant challenge in modern financial transactions, and the ability to identify qualified credit card holders among a large number of applicants is crucial for the profitability of a bank'sbank's credit card business. In the past, screening applicants'applicants' conditions often required a significant amount of manual labor, which was time-consuming and labor-intensive. Although the accuracy and reliability of previously used ML models have been continuously improving, the pursuit of more reliable and powerful AI intelligent models is undoubtedly the unremitting pursuit by major banks in the financial industry. In this study, we used a dataset of over 40,000 records provided by a commercial bank as the research object. We compared various dimensionality reduction techniques such as PCA and T-SNE for preprocessing high-dimensional datasets and performed in-depth adaptation and tuning of distributed models such as LightGBM and XGBoost, as well as deep models like Tabnet. After a series of research and processing, we obtained excellent research results by combining SMOTEENN with these techniques. The experiments demonstrated that LightGBM combined with PCA and SMOTEENN techniques can assist banks in accurately predicting potential high-quality customers, showing relatively outstanding performance compared to other models.

This paper addresses a critical challenge in cybersecurity: the gap between vulnerability information represented by Common Vulnerabilities and Exposures (CVEs) and the resulting cyberattack actions. CVEs provide insights into vulnerabilities, but often lack details on potential threat actions (tactics, techniques, and procedures, or TTPs) within the ATT&CK framework. This gap hinders accurate CVE categorization and proactive countermeasure initiation. The paper introduces the TTPpredictor tool, which uses innovative techniques to analyze CVE descriptions and infer plausible TTP attacks resulting from CVE exploitation. TTPpredictor overcomes challenges posed by limited labeled data and semantic disparities between CVE and TTP descriptions. It initially extracts threat actions from unstructured cyber threat reports using Semantic Role Labeling (SRL) techniques. These actions, along with their contextual attributes, are correlated with MITRE's attack functionality classes. This automated correlation facilitates the creation of labeled data, essential for categorizing novel threat actions into threat functionality classes and TTPs. The paper presents an empirical assessment, demonstrating TTPpredictor's effectiveness with accuracy rates of approximately 98% and F1-scores ranging from 95% to 98% in precise CVE classification to ATT&CK techniques. TTPpredictor outperforms state-of-the-art language model tools like ChatGPT. Overall, this paper offers a robust solution for linking CVEs to potential attack techniques, enhancing cybersecurity practitioners' ability to proactively identify and mitigate threats.

The correct use of Dutch pronouns 'die' and 'dat' is a stumbling block for both native and non-native speakers of Dutch due to the multiplicity of syntactic functions and the dependency on the antecedent's gender and number. Drawing on previous research conducted on neural context-dependent dt-mistake correction models (Heyman et al. 2018), this study constructs the first neural network model for Dutch demonstrative and relative pronoun resolution that specifically focuses on the correction and part-of-speech prediction of these two pronouns. Two separate datasets are built with sentences obtained from, respectively, the Dutch Europarl corpus (Koehn 2015) - which contains the proceedings of the European Parliament from 1996 to the present - and the SoNaR corpus (Oostdijk et al. 2013) - which contains Dutch texts from a variety of domains such as newspapers, blogs and legal texts. Firstly, a binary classification model solely predicts the correct 'die' or 'dat'. The classifier with a bidirectional long short-term memory architecture achieves 84.56% accuracy. Secondly, a multitask classification model simultaneously predicts the correct 'die' or 'dat' and its part-of-speech tag. The model containing a combination of a sentence and context encoder with both a bidirectional long short-term memory architecture results in 88.63% accuracy for die/dat prediction and 87.73% accuracy for part-of-speech prediction. More evenly-balanced data, larger word embeddings, an extra bidirectional long short-term memory layer and integrated part-of-speech knowledge positively affects die/dat prediction performance, while a context encoder architecture raises part-of-speech prediction performance. This study shows promising results and can serve as a starting point for future research on machine learning models for Dutch anaphora resolution.

Large language models (LLMs) show impressive capabilities, matching and sometimes exceeding human performance in many domains. This study explores the potential of LLMs to augment judgement in forecasting tasks. We evaluated the impact on forecasting accuracy of two GPT-4-Turbo assistants: one designed to provide high-quality advice ('superforecasting'), and the other designed to be overconfident and base-rate-neglecting. Participants (N = 991) had the option to consult their assigned LLM assistant throughout the study, in contrast to a control group that used a less advanced model (DaVinci-003) without direct forecasting support. Our preregistered analyses reveal that LLM augmentation significantly enhances forecasting accuracy by 23% across both types of assistants, compared to the control group. This improvement occurs despite the superforecasting assistant's higher accuracy in predictions, indicating the augmentation's benefit is not solely due to model prediction accuracy. Exploratory analyses showed a pronounced effect in one forecasting item, without which we find that the superforecasting assistant increased accuracy by 43%, compared with 28% for the biased assistant. We further examine whether LLM augmentation disproportionately benefits less skilled forecasters, degrades the wisdom-of-the-crowd by reducing prediction diversity, or varies in effectiveness with question difficulty. Our findings do not consistently support these hypotheses. Our results suggest that access to an LLM assistant, even a biased one, can be a helpful decision aid in cognitively demanding tasks where the answer is not known at the time of interaction.

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

In this work we study static neutron stars in the context of several inflationary models which are popular in cosmology. These inflationary models are non-minimally coupled scalar theories which yield a viable inflationary phenomenology in both Jordan and Einstein frames. By considering the constraints from inflationary theories, which basically determine the values of the potential strength, usually considered as a free parameter in astrophysical neutron star works, we construct and solve the Tolman-Oppenheimer-Volkoff equations using a solid python-3 LSODA integrator. For our study we consider several popular inflationary models, such as the universal attractors, the R^p attractors (three distinct model values), the induced inflation, the quadratic inflation, the Higgs inflation and the a-attractors (two distinct model values) and for the following popular equations of state the WFF1, the SLy, the APR, the MS1, the AP3, the AP4, the ENG, the MPA1 and the MS1b. We construct the M-R diagram and we confront the resulting theory with theoretical and observational constraints. As we demonstrate, remarkably, all the neutron stars produced by all the inflationary models we considered are compatible with all the constraints for the MPA1 equation of state. It is notable that for this particular equation of state, the maximum masses of the neutron stars are in the mass-gap region with M>2.5M_{odot}, but lower than the 3 solar masses causal limit. We also make the observation that as the NICER constraints are pushed towards larger radii, as for example in the case of the black widow pulsar PSR J0952-0607, it seems that equations of state that produce neutron stars with maximum masses in the mass gap region, with M>2.5M_{odot}, but lower than the 3 solar masses causal limit, are favored and are compatible with the modified NICER constraints.

Artificial Intelligence (AI) weather prediction (AIWP) models are powerful tools for medium-range forecasts but often lack physical consistency, leading to outputs that violate conservation laws. This study introduces a set of novel physics-based schemes designed to enforce the conservation of global dry air mass, moisture budget, and total atmospheric energy in AIWP models. The schemes are highly modular, allowing for seamless integration into a wide range of AI model architectures. Forecast experiments are conducted to demonstrate the benefit of conservation schemes using FuXi, an example AIWP model, modified and adapted for 1.0-degree grid spacing. Verification results show that the conservation schemes can guide the model in producing forecasts that obey conservation laws. The forecast skills of upper-air and surface variables are also improved, with longer forecast lead times receiving larger benefits. Notably, large performance gains are found in the total precipitation forecasts, owing to the reduction of drizzle bias. The proposed conservation schemes establish a foundation for implementing other physics-based schemes in the future. They also provide a new way to integrate atmospheric domain knowledge into the design and refinement of AIWP models.

Weather radar is the primary tool used by forecasters to detect and warn for tornadoes in near-real time. In order to assist forecasters in warning the public, several algorithms have been developed to automatically detect tornadic signatures in weather radar observations. Recently, Machine Learning (ML) algorithms, which learn directly from large amounts of labeled data, have been shown to be highly effective for this purpose. Since tornadoes are extremely rare events within the corpus of all available radar observations, the selection and design of training datasets for ML applications is critical for the performance, robustness, and ultimate acceptance of ML algorithms. This study introduces a new benchmark dataset, TorNet to support development of ML algorithms in tornado detection and prediction. TorNet contains full-resolution, polarimetric, Level-II WSR-88D data sampled from 10 years of reported storm events. A number of ML baselines for tornado detection are developed and compared, including a novel deep learning (DL) architecture capable of processing raw radar imagery without the need for manual feature extraction required for existing ML algorithms. Despite not benefiting from manual feature engineering or other preprocessing, the DL model shows increased detection performance compared to non-DL and operational baselines. The TorNet dataset, as well as source code and model weights of the DL baseline trained in this work, are made freely available.

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses and designing novel biotherapeutic proteins. Deep generative models of protein sequences trained on multiple sequence alignments have been the most successful approaches so far to address these tasks. The performance of these methods is however contingent on the availability of sufficiently deep and diverse alignments for reliable training. Their potential scope is thus limited by the fact many protein families are hard, if not impossible, to align. Large language models trained on massive quantities of non-aligned protein sequences from diverse families address these problems and show potential to eventually bridge the performance gap. We introduce Tranception, a novel transformer architecture leveraging autoregressive predictions and retrieval of homologous sequences at inference to achieve state-of-the-art fitness prediction performance. Given its markedly higher performance on multiple mutants, robustness to shallow alignments and ability to score indels, our approach offers significant gain of scope over existing approaches. To enable more rigorous model testing across a broader range of protein families, we develop ProteinGym -- an extensive set of multiplexed assays of variant effects, substantially increasing both the number and diversity of assays compared to existing benchmarks.

Central to our understanding of chemical reactivity is the principle of mass conservation, which is fundamental for ensuring physical consistency, balancing equations, and guiding reaction design. However, data-driven computational models for tasks such as reaction product prediction rarely abide by this most basic constraint. In this work, we recast the problem of reaction prediction as a problem of electron redistribution using the modern deep generative framework of flow matching. Our model, FlowER, overcomes limitations inherent in previous approaches by enforcing exact mass conservation, thereby resolving hallucinatory failure modes, recovering mechanistic reaction sequences for unseen substrate scaffolds, and generalizing effectively to out-of-domain reaction classes with extremely data-efficient fine-tuning. FlowER additionally enables estimation of thermodynamic or kinetic feasibility and manifests a degree of chemical intuition in reaction prediction tasks. This inherently interpretable framework represents a significant step in bridging the gap between predictive accuracy and mechanistic understanding in data-driven reaction outcome prediction.

This work demonstrates that Legal Judgement Prediction systems without expert-informed adjustments can be vulnerable to shallow, distracting surface signals that arise from corpus construction, case distribution, and confounding factors. To mitigate this, we use domain expertise to strategically identify statistically predictive but legally irrelevant information. We adopt adversarial training to prevent the system from relying on it. We evaluate our deconfounded models by employing interpretability techniques and comparing to expert annotations. Quantitative experiments and qualitative analysis show that our deconfounded model consistently aligns better with expert rationales than baselines trained for prediction only. We further contribute a set of reference expert annotations to the validation and testing partitions of an existing benchmark dataset of European Court of Human Rights cases.

Tracking Any Point (TAP) in a video is a challenging computer vision problem with many demonstrated applications in robotics, video editing, and 3D reconstruction. Existing methods for TAP rely heavily on complex tracking-specific inductive biases and heuristics, limiting their generality and potential for scaling. To address these challenges, we present TAPNext, a new approach that casts TAP as sequential masked token decoding. Our model is causal, tracks in a purely online fashion, and removes tracking-specific inductive biases. This enables TAPNext to run with minimal latency, and removes the temporal windowing required by many existing state of art trackers. Despite its simplicity, TAPNext achieves a new state-of-the-art tracking performance among both online and offline trackers. Finally, we present evidence that many widely used tracking heuristics emerge naturally in TAPNext through end-to-end training.

Machine learning interatomic potentials (MLIPs) have become increasingly effective at approximating quantum mechanical calculations at a fraction of the computational cost. However, lower errors on held out test sets do not always translate to improved results on downstream physical property prediction tasks. In this paper, we propose testing MLIPs on their practical ability to conserve energy during molecular dynamic simulations. If passed, improved correlations are found between test errors and their performance on physical property prediction tasks. We identify choices which may lead to models failing this test, and use these observations to improve upon highly-expressive models. The resulting model, eSEN, provides state-of-the-art results on a range of physical property prediction tasks, including materials stability prediction, thermal conductivity prediction, and phonon calculations.

This article presents the prediction difference analysis method for visualizing the response of a deep neural network to a specific input. When classifying images, the method highlights areas in a given input image that provide evidence for or against a certain class. It overcomes several shortcoming of previous methods and provides great additional insight into the decision making process of classifiers. Making neural network decisions interpretable through visualization is important both to improve models and to accelerate the adoption of black-box classifiers in application areas such as medicine. We illustrate the method in experiments on natural images (ImageNet data), as well as medical images (MRI brain scans).

Model-based reinforcement learning promises to learn an optimal policy from fewer interactions with the environment compared to model-free reinforcement learning by learning an intermediate model of the environment in order to predict future interactions. When predicting a sequence of interactions, the rollout length, which limits the prediction horizon, is a critical hyperparameter as accuracy of the predictions diminishes in the regions that are further away from real experience. As a result, with a longer rollout length, an overall worse policy is learned in the long run. Thus, the hyperparameter provides a trade-off between quality and efficiency. In this work, we frame the problem of tuning the rollout length as a meta-level sequential decision-making problem that optimizes the final policy learned by model-based reinforcement learning given a fixed budget of environment interactions by adapting the hyperparameter dynamically based on feedback from the learning process, such as accuracy of the model and the remaining budget of interactions. We use model-free deep reinforcement learning to solve the meta-level decision problem and demonstrate that our approach outperforms common heuristic baselines on two well-known reinforcement learning environments.

This study provides an efficient approach for using text data to calculate patent-to-patent (p2p) technological similarity, and presents a hybrid framework for leveraging the resulting p2p similarity for applications such as semantic search and automated patent classification. We create embeddings using Sentence-BERT (SBERT) based on patent claims. We leverage SBERTs efficiency in creating embedding distance measures to map p2p similarity in large sets of patent data. We deploy our framework for classification with a simple Nearest Neighbors (KNN) model that predicts Cooperative Patent Classification (CPC) of a patent based on the class assignment of the K patents with the highest p2p similarity. We thereby validate that the p2p similarity captures their technological features in terms of CPC overlap, and at the same demonstrate the usefulness of this approach for automatic patent classification based on text data. Furthermore, the presented classification framework is simple and the results easy to interpret and evaluate by end-users. In the out-of-sample model validation, we are able to perform a multi-label prediction of all assigned CPC classes on the subclass (663) level on 1,492,294 patents with an accuracy of 54% and F1 score > 66%, which suggests that our model outperforms the current state-of-the-art in text-based multi-label and multi-class patent classification. We furthermore discuss the applicability of the presented framework for semantic IP search, patent landscaping, and technology intelligence. We finally point towards a future research agenda for leveraging multi-source patent embeddings, their appropriateness across applications, as well as to improve and validate patent embeddings by creating domain-expert curated Semantic Textual Similarity (STS) benchmark datasets.