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SubscribeRoPECraft: Training-Free Motion Transfer with Trajectory-Guided RoPE Optimization on Diffusion Transformers
We propose RoPECraft, a training-free video motion transfer method for diffusion transformers that operates solely by modifying their rotary positional embeddings (RoPE). We first extract dense optical flow from a reference video, and utilize the resulting motion offsets to warp the complex-exponential tensors of RoPE, effectively encoding motion into the generation process. These embeddings are then further optimized during denoising time steps via trajectory alignment between the predicted and target velocities using a flow-matching objective. To keep the output faithful to the text prompt and prevent duplicate generations, we incorporate a regularization term based on the phase components of the reference video's Fourier transform, projecting the phase angles onto a smooth manifold to suppress high-frequency artifacts. Experiments on benchmarks reveal that RoPECraft outperforms all recently published methods, both qualitatively and quantitatively.
Traffic Light Control with Reinforcement Learning
Traffic light control is important for reducing congestion in urban mobility systems. This paper proposes a real-time traffic light control method using deep Q learning. Our approach incorporates a reward function considering queue lengths, delays, travel time, and throughput. The model dynamically decides phase changes based on current traffic conditions. The training of the deep Q network involves an offline stage from pre-generated data with fixed schedules and an online stage using real-time traffic data. A deep Q network structure with a "phase gate" component is used to simplify the model's learning task under different phases. A "memory palace" mechanism is used to address sample imbalance during the training process. We validate our approach using both synthetic and real-world traffic flow data on a road intersecting in Hangzhou, China. Results demonstrate significant performance improvements of the proposed method in reducing vehicle waiting time (57.1% to 100%), queue lengths (40.9% to 100%), and total travel time (16.8% to 68.0%) compared to traditional fixed signal plans.
SketchDream: Sketch-based Text-to-3D Generation and Editing
Existing text-based 3D generation methods generate attractive results but lack detailed geometry control. Sketches, known for their conciseness and expressiveness, have contributed to intuitive 3D modeling but are confined to producing texture-less mesh models within predefined categories. Integrating sketch and text simultaneously for 3D generation promises enhanced control over geometry and appearance but faces challenges from 2D-to-3D translation ambiguity and multi-modal condition integration. Moreover, further editing of 3D models in arbitrary views will give users more freedom to customize their models. However, it is difficult to achieve high generation quality, preserve unedited regions, and manage proper interactions between shape components. To solve the above issues, we propose a text-driven 3D content generation and editing method, SketchDream, which supports NeRF generation from given hand-drawn sketches and achieves free-view sketch-based local editing. To tackle the 2D-to-3D ambiguity challenge, we introduce a sketch-based multi-view image generation diffusion model, which leverages depth guidance to establish spatial correspondence. A 3D ControlNet with a 3D attention module is utilized to control multi-view images and ensure their 3D consistency. To support local editing, we further propose a coarse-to-fine editing approach: the coarse phase analyzes component interactions and provides 3D masks to label edited regions, while the fine stage generates realistic results with refined details by local enhancement. Extensive experiments validate that our method generates higher-quality results compared with a combination of 2D ControlNet and image-to-3D generation techniques and achieves detailed control compared with existing diffusion-based 3D editing approaches.
Sound Event Localization and Detection of Overlapping Sources Using Convolutional Recurrent Neural Networks
In this paper, we propose a convolutional recurrent neural network for joint sound event localization and detection (SELD) of multiple overlapping sound events in three-dimensional (3D) space. The proposed network takes a sequence of consecutive spectrogram time-frames as input and maps it to two outputs in parallel. As the first output, the sound event detection (SED) is performed as a multi-label classification task on each time-frame producing temporal activity for all the sound event classes. As the second output, localization is performed by estimating the 3D Cartesian coordinates of the direction-of-arrival (DOA) for each sound event class using multi-output regression. The proposed method is able to associate multiple DOAs with respective sound event labels and further track this association with respect to time. The proposed method uses separately the phase and magnitude component of the spectrogram calculated on each audio channel as the feature, thereby avoiding any method- and array-specific feature extraction. The method is evaluated on five Ambisonic and two circular array format datasets with different overlapping sound events in anechoic, reverberant and real-life scenarios. The proposed method is compared with two SED, three DOA estimation, and one SELD baselines. The results show that the proposed method is generic and applicable to any array structures, robust to unseen DOA values, reverberation, and low SNR scenarios. The proposed method achieved a consistently higher recall of the estimated number of DOAs across datasets in comparison to the best baseline. Additionally, this recall was observed to be significantly better than the best baseline method for a higher number of overlapping sound events.
HybridAugment++: Unified Frequency Spectra Perturbations for Model Robustness
Convolutional Neural Networks (CNN) are known to exhibit poor generalization performance under distribution shifts. Their generalization have been studied extensively, and one line of work approaches the problem from a frequency-centric perspective. These studies highlight the fact that humans and CNNs might focus on different frequency components of an image. First, inspired by these observations, we propose a simple yet effective data augmentation method HybridAugment that reduces the reliance of CNNs on high-frequency components, and thus improves their robustness while keeping their clean accuracy high. Second, we propose HybridAugment++, which is a hierarchical augmentation method that attempts to unify various frequency-spectrum augmentations. HybridAugment++ builds on HybridAugment, and also reduces the reliance of CNNs on the amplitude component of images, and promotes phase information instead. This unification results in competitive to or better than state-of-the-art results on clean accuracy (CIFAR-10/100 and ImageNet), corruption benchmarks (ImageNet-C, CIFAR-10-C and CIFAR-100-C), adversarial robustness on CIFAR-10 and out-of-distribution detection on various datasets. HybridAugment and HybridAugment++ are implemented in a few lines of code, does not require extra data, ensemble models or additional networks.
A Two-Phase Deep Learning Framework for Adaptive Time-Stepping in High-Speed Flow Modeling
We consider the problem of modeling high-speed flows using machine learning methods. While most prior studies focus on low-speed fluid flows in which uniform time-stepping is practical, flows approaching and exceeding the speed of sound exhibit sudden changes such as shock waves. In such cases, it is essential to use adaptive time-stepping methods to allow a temporal resolution sufficient to resolve these phenomena while simultaneously balancing computational costs. Here, we propose a two-phase machine learning method, known as ShockCast, to model high-speed flows with adaptive time-stepping. In the first phase, we propose to employ a machine learning model to predict the timestep size. In the second phase, the predicted timestep is used as an input along with the current fluid fields to advance the system state by the predicted timestep. We explore several physically-motivated components for timestep prediction and introduce timestep conditioning strategies inspired by neural ODE and Mixture of Experts. As ShockCast is the first framework for learning high-speed flows, we evaluate our methods by generating two supersonic flow datasets, available at https://huggingface.co/datasets/divelab. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).
Generative Principal Component Analysis
In this paper, we study the problem of principal component analysis with generative modeling assumptions, adopting a general model for the observed matrix that encompasses notable special cases, including spiked matrix recovery and phase retrieval. The key assumption is that the underlying signal lies near the range of an L-Lipschitz continuous generative model with bounded k-dimensional inputs. We propose a quadratic estimator, and show that it enjoys a statistical rate of order frac{klog L{m}}, where m is the number of samples. We also provide a near-matching algorithm-independent lower bound. Moreover, we provide a variant of the classic power method, which projects the calculated data onto the range of the generative model during each iteration. We show that under suitable conditions, this method converges exponentially fast to a point achieving the above-mentioned statistical rate. We perform experiments on various image datasets for spiked matrix and phase retrieval models, and illustrate performance gains of our method to the classic power method and the truncated power method devised for sparse principal component analysis.
ChunkAttention: Efficient Self-Attention with Prefix-Aware KV Cache and Two-Phase Partition
Self-attention is an essential component of large language models(LLMs) but a significant source of inference latency for long sequences. In multi-tenant LLMs serving scenarios, the compute and memory operation cost of self-attention can be optimized by using the probability that multiple LLM requests have shared system prompts in prefixes. In this paper, we introduce ChunkAttention, a prefix-aware self-attention module that can detect matching prompt prefixes across multiple requests and share their key/value tensors in memory at runtime to improve the memory utilization of KV cache. This is achieved by breaking monolithic key/value tensors into smaller chunks and structuring them into the auxiliary prefix tree. Consequently, on top of the prefix-tree based KV cache, we design an efficient self-attention kernel, where a two-phase partition algorithm is implemented to improve the data locality during self-attention computation in the presence of shared system prompts. Experiments show that ChunkAttention can speed up the self-attention kernel by 3.2-4.8times compared to the start-of-the-art implementation, with the length of the system prompt ranging from 1024 to 4096.
Phase-aware Single-stage Speech Denoising and Dereverberation with U-Net
In this work, we tackle a denoising and dereverberation problem with a single-stage framework. Although denoising and dereverberation may be considered two separate challenging tasks, and thus, two modules are typically required for each task, we show that a single deep network can be shared to solve the two problems. To this end, we propose a new masking method called phase-aware beta-sigmoid mask (PHM), which reuses the estimated magnitude values to estimate the clean phase by respecting the triangle inequality in the complex domain between three signal components such as mixture, source and the rest. Two PHMs are used to deal with direct and reverberant source, which allows controlling the proportion of reverberation in the enhanced speech at inference time. In addition, to improve the speech enhancement performance, we propose a new time-domain loss function and show a reasonable performance gain compared to MSE loss in the complex domain. Finally, to achieve a real-time inference, an optimization strategy for U-Net is proposed which significantly reduces the computational overhead up to 88.9% compared to the na\"ive version.
FA-GAN: Artifacts-free and Phase-aware High-fidelity GAN-based Vocoder
Generative adversarial network (GAN) based vocoders have achieved significant attention in speech synthesis with high quality and fast inference speed. However, there still exist many noticeable spectral artifacts, resulting in the quality decline of synthesized speech. In this work, we adopt a novel GAN-based vocoder designed for few artifacts and high fidelity, called FA-GAN. To suppress the aliasing artifacts caused by non-ideal upsampling layers in high-frequency components, we introduce the anti-aliased twin deconvolution module in the generator. To alleviate blurring artifacts and enrich the reconstruction of spectral details, we propose a novel fine-grained multi-resolution real and imaginary loss to assist in the modeling of phase information. Experimental results reveal that FA-GAN outperforms the compared approaches in promoting audio quality and alleviating spectral artifacts, and exhibits superior performance when applied to unseen speaker scenarios.
Elliptical orbits in the phase-space quantization
The energy levels of hydrogen-like atoms are obtained from the phase-space quantization, one of the pillars of the old quantum theory, by three different methods - (i) direct integration, (ii) Sommerfeld's original method, and (iii) complex integration. The difficulties come from the imposition of elliptical orbits to the electron, resulting in a variable radial component of the linear momentum. Details of the calculation, which constitute a recurrent gap in textbooks that deal with phase-space quantization, are shown in depth in an accessible fashion for students of introductory quantum mechanics courses.
WalkTheDog: Cross-Morphology Motion Alignment via Phase Manifolds
We present a new approach for understanding the periodicity structure and semantics of motion datasets, independently of the morphology and skeletal structure of characters. Unlike existing methods using an overly sparse high-dimensional latent, we propose a phase manifold consisting of multiple closed curves, each corresponding to a latent amplitude. With our proposed vector quantized periodic autoencoder, we learn a shared phase manifold for multiple characters, such as a human and a dog, without any supervision. This is achieved by exploiting the discrete structure and a shallow network as bottlenecks, such that semantically similar motions are clustered into the same curve of the manifold, and the motions within the same component are aligned temporally by the phase variable. In combination with an improved motion matching framework, we demonstrate the manifold's capability of timing and semantics alignment in several applications, including motion retrieval, transfer and stylization. Code and pre-trained models for this paper are available at https://peizhuoli.github.io/walkthedog.
aLLoyM: A large language model for alloy phase diagram prediction
Large Language Models (LLMs) are general-purpose tools with wide-ranging applications, including in materials science. In this work, we introduce aLLoyM, a fine-tuned LLM specifically trained on alloy compositions, temperatures, and their corresponding phase information. To develop aLLoyM, we curated question-and-answer (Q&A) pairs for binary and ternary phase diagrams using the open-source Computational Phase Diagram Database (CPDDB) and assessments based on CALPHAD (CALculation of PHAse Diagrams). We fine-tuned Mistral, an open-source pre-trained LLM, for two distinct Q&A formats: multiple-choice and short-answer. Benchmark evaluations demonstrate that fine-tuning substantially enhances performance on multiple-choice phase diagram questions. Moreover, the short-answer model of aLLoyM exhibits the ability to generate novel phase diagrams from its components alone, underscoring its potential to accelerate the discovery of previously unexplored materials systems. To promote further research and adoption, we have publicly released the short-answer fine-tuned version of aLLoyM, along with the complete benchmarking Q&A dataset, on Hugging Face.
Towards High-Quality and Efficient Speech Bandwidth Extension with Parallel Amplitude and Phase Prediction
Speech bandwidth extension (BWE) refers to widening the frequency bandwidth range of speech signals, enhancing the speech quality towards brighter and fuller. This paper proposes a generative adversarial network (GAN) based BWE model with parallel prediction of Amplitude and Phase spectra, named AP-BWE, which achieves both high-quality and efficient wideband speech waveform generation. The proposed AP-BWE generator is entirely based on convolutional neural networks (CNNs). It features a dual-stream architecture with mutual interaction, where the amplitude stream and the phase stream communicate with each other and respectively extend the high-frequency components from the input narrowband amplitude and phase spectra. To improve the naturalness of the extended speech signals, we employ a multi-period discriminator at the waveform level and design a pair of multi-resolution amplitude and phase discriminators at the spectral level, respectively. Experimental results demonstrate that our proposed AP-BWE achieves state-of-the-art performance in terms of speech quality for BWE tasks targeting sampling rates of both 16 kHz and 48 kHz. In terms of generation efficiency, due to the all-convolutional architecture and all-frame-level operations, the proposed AP-BWE can generate 48 kHz waveform samples 292.3 times faster than real-time on a single RTX 4090 GPU and 18.1 times faster than real-time on a single CPU. Notably, to our knowledge, AP-BWE is the first to achieve the direct extension of the high-frequency phase spectrum, which is beneficial for improving the effectiveness of existing BWE methods.
How to think step-by-step: A mechanistic understanding of chain-of-thought reasoning
Despite superior reasoning prowess demonstrated by Large Language Models (LLMs) with Chain-of-Thought (CoT) prompting, a lack of understanding prevails around the internal mechanisms of the models that facilitate CoT generation. This work investigates the neural sub-structures within LLMs that manifest CoT reasoning from a mechanistic point of view. From an analysis of LLaMA-2 7B applied to multistep reasoning over fictional ontologies, we demonstrate that LLMs deploy multiple parallel pathways of answer generation for step-by-step reasoning. These parallel pathways provide sequential answers from the input question context as well as the generated CoT. We observe a striking functional rift in the middle layers of the LLM. Token representations in the initial half remain strongly biased towards the pretraining prior, with the in-context taking over abruptly in the later half. This internal phase shift manifests in different functional components: attention heads that write the answer token predominantly appear in the later half, attention heads that move information along ontological relationships appear exclusively in the initial half, and so on. To the best of our knowledge, this is the first attempt towards mechanistic investigation of CoT reasoning in LLMs.
Low-energy Injection and Nonthermal Particle Acceleration in Relativistic Magnetic Turbulence
Relativistic magnetic turbulence has been proposed as a process for producing nonthermal particles in high-energy astrophysics. Particle energization may be contributed by both magnetic reconnection and turbulent fluctuations, but their interplay is poorly understood. It has been suggested that during magnetic reconnection the parallel electric field dominates particle acceleration up to the lower bound of the power-law particle spectrum, but recent studies show that electric fields perpendicular to magnetic field can play an important, if not dominant role. In this study, we carry out 2D fully kinetic particle-in-cell simulations of magnetically dominated decaying turbulence in a relativistic pair plasma. For a fixed magnetization parameter sigma_0=20, we find that the injection energy {varepsilon}_{rm inj} converges with increasing domain size to {varepsilon}_{rm inj}simeq 10m_ec^2. In contrast, the power-law index, the cut-off energy, and the power-law extent increase steadily with domain size. We trace a large number of particles and evaluate the contributions of the work done by the parallel (W_parallel) and perpendicular (W_perp) electric fields during both the injection phase and the post-injection phase. We find that during the injection phase, the W_perp contribution increases with domain size, suggesting that it may eventually dominate injection for a sufficiently large domain. In contrast, both components contribute equally during the post-injection phase, insensitive to the domain size. For high energy ({varepsilon}varepsilon_{rm inj}) particles, W_perp dominates the subsequent energization. These findings may improve our understanding of nonthermal particles and their emissions in astrophysical plasmas.
UniDream: Unifying Diffusion Priors for Relightable Text-to-3D Generation
Recent advancements in text-to-3D generation technology have significantly advanced the conversion of textual descriptions into imaginative well-geometrical and finely textured 3D objects. Despite these developments, a prevalent limitation arises from the use of RGB data in diffusion or reconstruction models, which often results in models with inherent lighting and shadows effects that detract from their realism, thereby limiting their usability in applications that demand accurate relighting capabilities. To bridge this gap, we present UniDream, a text-to-3D generation framework by incorporating unified diffusion priors. Our approach consists of three main components: (1) a dual-phase training process to get albedo-normal aligned multi-view diffusion and reconstruction models, (2) a progressive generation procedure for geometry and albedo-textures based on Score Distillation Sample (SDS) using the trained reconstruction and diffusion models, and (3) an innovative application of SDS for finalizing PBR generation while keeping a fixed albedo based on Stable Diffusion model. Extensive evaluations demonstrate that UniDream surpasses existing methods in generating 3D objects with clearer albedo textures, smoother surfaces, enhanced realism, and superior relighting capabilities.
OVSegDT: Segmenting Transformer for Open-Vocabulary Object Goal Navigation
Open-vocabulary Object Goal Navigation requires an embodied agent to reach objects described by free-form language, including categories never seen during training. Existing end-to-end policies overfit small simulator datasets, achieving high success on training scenes but failing to generalize and exhibiting unsafe behaviour (frequent collisions). We introduce OVSegDT, a lightweight transformer policy that tackles these issues with two synergistic components. The first component is the semantic branch, which includes an encoder for the target binary mask and an auxiliary segmentation loss function, grounding the textual goal and providing precise spatial cues. The second component consists of a proposed Entropy-Adaptive Loss Modulation, a per-sample scheduler that continuously balances imitation and reinforcement signals according to the policy entropy, eliminating brittle manual phase switches. These additions cut the sample complexity of training by 33%, and reduce collision count in two times while keeping inference cost low (130M parameters, RGB-only input). On HM3D-OVON, our model matches the performance on unseen categories to that on seen ones and establishes state-of-the-art results (40.1% SR, 20.9% SPL on val unseen) without depth, odometry, or large vision-language models. Code is available at https://github.com/CognitiveAISystems/OVSegDT.
PRIMER: JWST/MIRI reveals the evolution of star-forming structures in galaxies at z<2.5
The stellar structures of star-forming galaxies (SFGs) undergo significant size growth during their mass assembly and must pass through a compaction phase as they evolve into quiescent galaxies (QGs). To shed light on the mechanisms behind this structural evolution, we study the morphology of the star-forming components of 665 SFGs at 0<z<2.5 measured using JWST/MIRI observation and compare them with the morphology of their stellar components taken from the literature. The stellar and star-forming components of most SFGs (66%) have extended disk-like structures that are aligned with each other and are of the same size. The star-forming components of these galaxies follow a mass-size relation, similar to that followed by their stellar components. At the highest mass, the optical S\'ersic index of these SFGs increases to 2.5, suggesting the presence of a dominant stellar bulge. Because their star-forming components remain disk-like, these bulges cannot have formed by secular in-situ growth. We identify a second population of galaxies lying below the MIR mass-size relation, with compact star-forming components embedded in extended stellar components (EC galaxy). These galaxies are overall rare (15%) but become more dominant (30%) at high mass (>10^{10.5}M_odot). The compact star-forming components of these galaxies are also concentrated and slightly spheroidal, suggesting that this compaction phase can build dense bulge in-situ. Finally, we identify a third population of SFGs (19%), with both compact stellar and star-forming components. The density of their stellar cores resemble those of QGs and are compatible with being the descendants of EC galaxy. Overall, the structural evolution of SFGs is mainly dominated by a secular inside-out growth, which can, however, be interrupted by violent compaction phase(s) that can build dominant stellar bulges like those in massive SFGs or QGs.
Wave Network: An Ultra-Small Language Model
We propose an innovative token representation and update method in a new ultra-small language model: the Wave network. Specifically, we use a complex vector to represent each token, encoding both global and local semantics of the input text. A complex vector consists of two components: a magnitude vector representing the global semantics of the input text, and a phase vector capturing the relationships between individual tokens and global semantics. Experiments on the AG News text classification task demonstrate that, when generating complex vectors from randomly initialized token embeddings, our single-layer Wave Network achieves 90.91\% accuracy with wave interference and 91.66\% with wave modulation -- outperforming a single Transformer layer using BERT pre-trained embeddings by 19.23\% and 19.98\%, respectively, and approaching the accuracy of the pre-trained and fine-tuned BERT base model (94.64\%). Additionally, compared to BERT base, the Wave Network reduces video memory usage and training time by 77.34\% and 85.62\% during wave modulation. In summary, we used a 2.4-million-parameter small language model to achieve accuracy comparable to a 100-million-parameter BERT model in text classification.
Pessimistic Nonlinear Least-Squares Value Iteration for Offline Reinforcement Learning
Offline reinforcement learning (RL), where the agent aims to learn the optimal policy based on the data collected by a behavior policy, has attracted increasing attention in recent years. While offline RL with linear function approximation has been extensively studied with optimal results achieved under certain assumptions, many works shift their interest to offline RL with non-linear function approximation. However, limited works on offline RL with non-linear function approximation have instance-dependent regret guarantees. In this paper, we propose an oracle-efficient algorithm, dubbed Pessimistic Nonlinear Least-Square Value Iteration (PNLSVI), for offline RL with non-linear function approximation. Our algorithmic design comprises three innovative components: (1) a variance-based weighted regression scheme that can be applied to a wide range of function classes, (2) a subroutine for variance estimation, and (3) a planning phase that utilizes a pessimistic value iteration approach. Our algorithm enjoys a regret bound that has a tight dependency on the function class complexity and achieves minimax optimal instance-dependent regret when specialized to linear function approximation. Our work extends the previous instance-dependent results within simpler function classes, such as linear and differentiable function to a more general framework.
SCOOP: Self-Supervised Correspondence and Optimization-Based Scene Flow
Scene flow estimation is a long-standing problem in computer vision, where the goal is to find the 3D motion of a scene from its consecutive observations. Recently, there have been efforts to compute the scene flow from 3D point clouds. A common approach is to train a regression model that consumes source and target point clouds and outputs the per-point translation vector. An alternative is to learn point matches between the point clouds concurrently with regressing a refinement of the initial correspondence flow. In both cases, the learning task is very challenging since the flow regression is done in the free 3D space, and a typical solution is to resort to a large annotated synthetic dataset. We introduce SCOOP, a new method for scene flow estimation that can be learned on a small amount of data without employing ground-truth flow supervision. In contrast to previous work, we train a pure correspondence model focused on learning point feature representation and initialize the flow as the difference between a source point and its softly corresponding target point. Then, in the run-time phase, we directly optimize a flow refinement component with a self-supervised objective, which leads to a coherent and accurate flow field between the point clouds. Experiments on widespread datasets demonstrate the performance gains achieved by our method compared to existing leading techniques while using a fraction of the training data. Our code is publicly available at https://github.com/itailang/SCOOP.
RCMHA: Relative Convolutional Multi-Head Attention for Natural Language Modelling
The Attention module finds common usage in language modeling, presenting distinct challenges within the broader scope of Natural Language Processing. Multi-Head Attention (MHA) employs an absolute positional encoding, which imposes limitations on token length and entails substantial memory consumption during the processing of embedded inputs. The current remedy proposed by researchers involves the utilization of relative positional encoding, similar to the approach adopted in Transformer-XL or Relative Multi-Head Attention (RMHA), albeit the employed architecture consumes considerable memory resources. To address these challenges, this study endeavors to refine MHA, leveraging relative positional encoding in conjunction with the Depth-Wise Convolutional Layer architecture, which promises heightened accuracy coupled with minimized memory usage. The proposed RCMHA framework entails the modification of two integral components: firstly, the application of the Depth-Wise Convolutional Layer to the input embedding, encompassing Query, Key, and Value parameters; secondly, the incorporation of Relative Positional Encoding into the attention scoring phase, harmoniously integrated with Scaled Dot-Product Attention. Empirical experiments underscore the advantages of RCMHA, wherein it exhibits superior accuracy, boasting a score of 0.572 in comparison to alternative attention modules such as MHA, Multi-DConv-Head Attention (MDHA), and RMHA. Concerning memory utilization, RMHA emerges as the most frugal, demonstrating an average consumption of 2.98 GB, surpassing RMHA which necessitates 3.5 GB.
Solvent: A Framework for Protein Folding
Consistency and reliability are crucial for conducting AI research. Many famous research fields, such as object detection, have been compared and validated with solid benchmark frameworks. After AlphaFold2, the protein folding task has entered a new phase, and many methods are proposed based on the component of AlphaFold2. The importance of a unified research framework in protein folding contains implementations and benchmarks to consistently and fairly compare various approaches. To achieve this, we present Solvent, an protein folding framework that supports significant components of state-of-th-arts models in the manner of off-the-shelf interface Solvent contains different models implemented in a unified codebase and supports training and evaluation for defined models on the same dataset. We benchmark well-known algorithms and their components and provide experiments that give helpful insights into the protein structure modeling field. We hope that Solvent will increase the reliability and consistency of proposed models and gives efficiency in both speed and costs, resulting in acceleration on protein folding modeling research. The code is available at https://github.com/kakaobrain/solvent, and the project will continue to be developed.
Back to Ear: Perceptually Driven High Fidelity Music Reconstruction
Variational Autoencoders (VAEs) are essential for large-scale audio tasks like diffusion-based generation. However, existing open-source models often neglect auditory perceptual aspects during training, leading to weaknesses in phase accuracy and stereophonic spatial representation. To address these challenges, we propose {\epsilon}ar-VAE, an open-source music signal reconstruction model that rethinks and optimizes the VAE training paradigm. Our contributions are threefold: (i) A K-weighting perceptual filter applied prior to loss calculation to align the objective with auditory perception. (ii) Two novel phase losses: a Correlation Loss for stereo coherence, and a Phase Loss using its derivatives--Instantaneous Frequency and Group Delay--for precision. (iii) A new spectral supervision paradigm where magnitude is supervised by all four Mid/Side/Left/Right components, while phase is supervised only by the LR components. Experiments show {\epsilon}ar-VAE at 44.1kHz substantially outperforms leading open-source models across diverse metrics, showing particular strength in reconstructing high-frequency harmonics and the spatial characteristics.
FACL-Attack: Frequency-Aware Contrastive Learning for Transferable Adversarial Attacks
Deep neural networks are known to be vulnerable to security risks due to the inherent transferable nature of adversarial examples. Despite the success of recent generative model-based attacks demonstrating strong transferability, it still remains a challenge to design an efficient attack strategy in a real-world strict black-box setting, where both the target domain and model architectures are unknown. In this paper, we seek to explore a feature contrastive approach in the frequency domain to generate adversarial examples that are robust in both cross-domain and cross-model settings. With that goal in mind, we propose two modules that are only employed during the training phase: a Frequency-Aware Domain Randomization (FADR) module to randomize domain-variant low- and high-range frequency components and a Frequency-Augmented Contrastive Learning (FACL) module to effectively separate domain-invariant mid-frequency features of clean and perturbed image. We demonstrate strong transferability of our generated adversarial perturbations through extensive cross-domain and cross-model experiments, while keeping the inference time complexity.
The Remarkable Robustness of LLMs: Stages of Inference?
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.
Development of different methods and their efficiencies for the estimation of diffusion coefficients following the diffusion couple technique
The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's method expressed with respect to the concentration (composition divided by the molar volume) normalized variable. On the other hand, the relations for estimation of the intrinsic diffusion coefficients of components as established by van Loo and integrated diffusion coefficients in a phase with narrow homogeneity range as established by Wagner are currently available with respect to the composition normalized variable only. In this study, we have first derived the relation proposed by den Broeder following the line of treatment proposed by Wagner. Further, the relations for estimation of the intrinsic diffusion coefficients of the components and integrated interdiffusion coefficient are established with respect to the concentration normalized variable, which were not available earlier. The veracity of these methods is examined based on the estimation of data in Ni-Pd, Ni-Al and Cu-Sn systems. Our analysis indicates that both the approaches are logically correct and there is small difference in the estimated data in these systems although a higher difference could be found in other systems. The integrated interdiffusion coefficients with respect to the concentration (or concentration normalized variable) can only be estimated considering the ideal molar volume variation. This might be drawback in certain practical systems.
Complex-valued neural networks for machine learning on non-stationary physical data
Deep learning has become an area of interest in most scientific areas, including physical sciences. Modern networks apply real-valued transformations on the data. Particularly, convolutions in convolutional neural networks discard phase information entirely. Many deterministic signals, such as seismic data or electrical signals, contain significant information in the phase of the signal. We explore complex-valued deep convolutional networks to leverage non-linear feature maps. Seismic data commonly has a lowcut filter applied, to attenuate noise from ocean waves and similar long wavelength contributions. Discarding the phase information leads to low-frequency aliasing analogous to the Nyquist-Shannon theorem for high frequencies. In non-stationary data, the phase content can stabilize training and improve the generalizability of neural networks. While it has been shown that phase content can be restored in deep neural networks, we show how including phase information in feature maps improves both training and inference from deterministic physical data. Furthermore, we show that the reduction of parameters in a complex network outperforms larger real-valued networks.
On the generation of periodic discrete structures with identical two-point correlation
Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.
Interacting phase fields yielding phase separation on surfaces
In the present article we study diffuse interface models for two-phase biomembranes. We will do so by starting off with a diffuse interface model on R^n defined by two coupled phase fields u,v. The first phase field u is the diffuse approximation of the interior of the membrane; the second phase field v is the diffuse approximation of the two phases of the membrane. We prove a compactness result and a lower bound in the sense of Gamma-convergence for pairs of phase functions (u_varepsilon,v_varepsilon). As an application of this first result, we consider a diffuse approximation of a two-phase Willmore functional plus line tension energy.
PhaseNet: A Deep-Neural-Network-Based Seismic Arrival Time Picking Method
As the number of seismic sensors grows, it is becoming increasingly difficult for analysts to pick seismic phases manually and comprehensively, yet such efforts are fundamental to earthquake monitoring. Despite years of improvements in automatic phase picking, it is difficult to match the performance of experienced analysts. A more subtle issue is that different seismic analysts may pick phases differently, which can introduce bias into earthquake locations. We present a deep-neural-network-based arrival-time picking method called "PhaseNet" that picks the arrival times of both P and S waves. Deep neural networks have recently made rapid progress in feature learning, and with sufficient training, have achieved super-human performance in many applications. PhaseNet uses three-component seismic waveforms as input and generates probability distributions of P arrivals, S arrivals, and noise as output. We engineer PhaseNet such that peaks in probability provide accurate arrival times for both P and S waves, and have the potential to increase the number of S-wave observations dramatically over what is currently available. This will enable both improved locations and improved shear wave velocity models. PhaseNet is trained on the prodigious available data set provided by analyst-labeled P and S arrival times from the Northern California Earthquake Data Center. The dataset we use contains more than seven million waveform samples extracted from over thirty years of earthquake recordings. We demonstrate that PhaseNet achieves much higher picking accuracy and recall rate than existing methods.
A Comprehensive Perturbative Formalism for Phase Mixing in Perturbed Disks. II. Phase Spirals in an Inhomogeneous Disk Galaxy with a Non-responsive Dark Matter Halo
We develop a linear perturbative formalism to compute the response of an inhomogeneous stellar disk embedded in a non-responsive dark matter halo to perturbations like bars, spiral arms and satellite galaxy encounters. Without self-gravity to reinforce it, the response of a Fourier mode phase mixes away due to an intrinsic spread in the vertical (Omega_z), radial (Omega_r) and azimuthal (Omega_phi) frequencies, giving rise to local phase-space spirals. Collisional diffusion due to scattering of stars by structures like giant molecular clouds causes super-exponential damping of the phase-spiral amplitude. The z-v_z phase-spiral is 1-armed (2-armed) for vertically anti-symmetric (symmetric) bending (breathing) modes. Only transient perturbations with timescales (tau_{P}) comparable to the vertical oscillation period (tau_z sim 1/Omega_z) trigger z-v_z phase-spirals. Each (n,l,m) mode of the response to impulsive (tau_{P}<tau=1/(nOmega_z+lOmega_r+mOmega_phi)) perturbations is power law (sim tau_{P}/tau) suppressed, but that to adiabatic (tau_{P}>tau) perturbations is exponentially weak (sim left[-left(tau_{mathrm{P}/tauright)^alpharight]}) except resonant (tauto infty) modes. Slower (tau_{P}>tau_z) perturbations, e.g., distant encounters with satellite galaxies, induce stronger bending modes. If the Gaia phase-spiral was triggered by a satellite, Sagittarius is the leading contender as it dominates the Solar neighborhood response of the Milky Way disk to satellite encounters. However, survival against collisional damping necessitates that the impact occurred within sim 0.6-0.7 Gyr ago. We discuss how the detailed galactic potential dictates the phase-spiral shape: phase mixing occurs slower and phase-spirals are less wound in the outer disk and in presence of an ambient halo.
M^3-VOS: Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation
Intelligent robots need to interact with diverse objects across various environments. The appearance and state of objects frequently undergo complex transformations depending on the object properties, e.g., phase transitions. However, in the vision community, segmenting dynamic objects with phase transitions is overlooked. In light of this, we introduce the concept of phase in segmentation, which categorizes real-world objects based on their visual characteristics and potential morphological and appearance changes. Then, we present a new benchmark, Multi-Phase, Multi-Transition, and Multi-Scenery Video Object Segmentation (M^3-VOS), to verify the ability of models to understand object phases, which consists of 479 high-resolution videos spanning over 10 distinct everyday scenarios. It provides dense instance mask annotations that capture both object phases and their transitions. We evaluate state-of-the-art methods on M^3-VOS, yielding several key insights. Notably, current appearance-based approaches show significant room for improvement when handling objects with phase transitions. The inherent changes in disorder suggest that the predictive performance of the forward entropy-increasing process can be improved through a reverse entropy-reducing process. These findings lead us to propose ReVOS, a new plug-andplay model that improves its performance by reversal refinement. Our data and code will be publicly available at https://zixuan-chen.github.io/M-cube-VOS.github.io/.
Recovering a Molecule's 3D Dynamics from Liquid-phase Electron Microscopy Movies
The dynamics of biomolecules are crucial for our understanding of their functioning in living systems. However, current 3D imaging techniques, such as cryogenic electron microscopy (cryo-EM), require freezing the sample, which limits the observation of their conformational changes in real time. The innovative liquid-phase electron microscopy (liquid-phase EM) technique allows molecules to be placed in the native liquid environment, providing a unique opportunity to observe their dynamics. In this paper, we propose TEMPOR, a Temporal Electron MicroscoPy Object Reconstruction algorithm for liquid-phase EM that leverages an implicit neural representation (INR) and a dynamical variational auto-encoder (DVAE) to recover time series of molecular structures. We demonstrate its advantages in recovering different motion dynamics from two simulated datasets, 7bcq and Cas9. To our knowledge, our work is the first attempt to directly recover 3D structures of a temporally-varying particle from liquid-phase EM movies. It provides a promising new approach for studying molecules' 3D dynamics in structural biology.
The Frequency-dependent Modulation Features of PSR J1948+3540
Using observations from GMRT and FAST, we conducted multi-wavelength studies on PSR J1948+3540 and analyzed its intensity modulation characteristics in detail. We found that the intensity modulation of this pulsar exhibits broad low-frequency modulation features. The modulation frequency/period is time-dependent, but the dominant modulation component varies with the observing frequency. Specifically, at low frequencies, the modulation is dominated by the first half of the middle component, while at high frequencies, it is dominated by the second half of the middle component. Spectral analysis revealed that the intensities of the leading and trailing components vary with the observing frequency, but the middle component does not change significantly. Besides, the polarization analyses reveal that the peak of the radiation intensity is located in the latter half of the middle component, whereas the linear polarization is dominant in the former half. However, due to the low degree of linear polarization, the change of the dominant modulation component with the observed frequency is not caused by the variation in linear polarization. The phenomenon of the dominant modulation component varying with observing frequency has not been reported before and remains difficult to understand within the current theoretical framework.
Single replica spin-glass phase detection using field variation and machine learning
The Sherrington-Kirkpatrick spin-glass model used the replica symmetry method to find the phase transition of the system. In 1979-1980, Parisi proposed a solution based on replica symmetry breaking (RSB), which allowed him to identify the underlying phases of complex systems such as spin-glasses. Regardless of the method used for detection, the intrinsic phase of a system exists whether or not replicas are considered. We introduce a single replica method of spin-glass phase detection using the field's variation experienced by each spin in a system configuration. This method focuses on a single replica with quenched random couplings. Each spin inevitably observes a different field from the others. Our results show that the mean and variance of fields named "Spontaneous Configurational Field" experienced by spins are suitable indicators to explore different ferromagnetic, paramagnetic, and mixed phases. To classify different phases of the system with defined indicators we have developed an algorithm based on machine learning to analyze the desired samples.
EndoNet: A Deep Architecture for Recognition Tasks on Laparoscopic Videos
Surgical workflow recognition has numerous potential medical applications, such as the automatic indexing of surgical video databases and the optimization of real-time operating room scheduling, among others. As a result, phase recognition has been studied in the context of several kinds of surgeries, such as cataract, neurological, and laparoscopic surgeries. In the literature, two types of features are typically used to perform this task: visual features and tool usage signals. However, the visual features used are mostly handcrafted. Furthermore, the tool usage signals are usually collected via a manual annotation process or by using additional equipment. In this paper, we propose a novel method for phase recognition that uses a convolutional neural network (CNN) to automatically learn features from cholecystectomy videos and that relies uniquely on visual information. In previous studies, it has been shown that the tool signals can provide valuable information in performing the phase recognition task. Thus, we present a novel CNN architecture, called EndoNet, that is designed to carry out the phase recognition and tool presence detection tasks in a multi-task manner. To the best of our knowledge, this is the first work proposing to use a CNN for multiple recognition tasks on laparoscopic videos. Extensive experimental comparisons to other methods show that EndoNet yields state-of-the-art results for both tasks.
Novel results obtained by modeling of dynamic processes in superconductors: phase-slip centers as cooling engines
Based on a time-dependent Ginzburg-Landau system of equations and finite element modeling, we present novel results related with the physics of phase-slippage in superconducting wires surrounded by a non-superconductive environment. These results are obtained within our previously reported approach related to superconducting rings and superconductive gravitational wave detector transducers. It is shown that the phase-slip centers (PSCs) can be effective in originating not only positive but also negative thermal fluxes. With an appropriate design utilizing thermal diodes, PSCs can serve as cryocooling engines. Operating at Tsim 1 K cryostat cold-finger, they can achieve sub-Kelvin temperatures without using ^3He.
Mathematical modelling of flow and adsorption in a gas chromatograph
In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.
