Daily Papers

Generating 3D vehicle assets from in-the-wild observations is crucial to autonomous driving. Existing image-to-3D methods cannot well address this problem because they learn generation merely from image RGB information without a deeper understanding of in-the-wild vehicles (such as car models, manufacturers, etc.). This leads to their poor zero-shot prediction capability to handle real-world observations with occlusion or tricky viewing angles. To solve this problem, in this work, we propose VQA-Diff, a novel framework that leverages in-the-wild vehicle images to create photorealistic 3D vehicle assets for autonomous driving. VQA-Diff exploits the real-world knowledge inherited from the Large Language Model in the Visual Question Answering (VQA) model for robust zero-shot prediction and the rich image prior knowledge in the Diffusion model for structure and appearance generation. In particular, we utilize a multi-expert Diffusion Models strategy to generate the structure information and employ a subject-driven structure-controlled generation mechanism to model appearance information. As a result, without the necessity to learn from a large-scale image-to-3D vehicle dataset collected from the real world, VQA-Diff still has a robust zero-shot image-to-novel-view generation ability. We conduct experiments on various datasets, including Pascal 3D+, Waymo, and Objaverse, to demonstrate that VQA-Diff outperforms existing state-of-the-art methods both qualitatively and quantitatively.

We address the challenge of creating 3D assets for household articulated objects from a single image. Prior work on articulated object creation either requires multi-view multi-state input, or only allows coarse control over the generation process. These limitations hinder the scalability and practicality for articulated object modeling. In this work, we propose a method to generate articulated objects from a single image. Observing the object in resting state from an arbitrary view, our method generates an articulated object that is visually consistent with the input image. To capture the ambiguity in part shape and motion posed by a single view of the object, we design a diffusion model that learns the plausible variations of objects in terms of geometry and kinematics. To tackle the complexity of generating structured data with attributes in multiple domains, we design a pipeline that produces articulated objects from high-level structure to geometric details in a coarse-to-fine manner, where we use a part connectivity graph and part abstraction as proxies. Our experiments show that our method outperforms the state-of-the-art in articulated object creation by a large margin in terms of the generated object realism, resemblance to the input image, and reconstruction quality.

Instruction-tuned large language models have shown remarkable performance in aligning generated text with user intentions across various tasks. However, maintaining human-like discourse structure in the generated text remains a challenging research question. In this paper, we propose Instruct-SCTG, a flexible and effective sequential framework that harnesses instruction-tuned language models to generate structurally coherent text in both fine-tuned and zero-shot setups. Our framework generates articles in a section-by-section manner, aligned with the desired human structure using natural language instructions. Furthermore, we introduce a new automatic metric that measures discourse divergence in a fuzzy manner. Extensive experiments on three datasets from representative domains of news and recipes demonstrate the state-of-the-art performance of our framework in imposing discourse structure during text generation, as verified by both automatic and human evaluation. Our code will be available on Github.

Talking head synthesis is vital for virtual avatars and human-computer interaction. However, most existing methods are typically limited to accepting control from a single primary modality, restricting their practical utility. To this end, we introduce ACTalker, an end-to-end video diffusion framework that supports both multi-signals control and single-signal control for talking head video generation. For multiple control, we design a parallel mamba structure with multiple branches, each utilizing a separate driving signal to control specific facial regions. A gate mechanism is applied across all branches, providing flexible control over video generation. To ensure natural coordination of the controlled video both temporally and spatially, we employ the mamba structure, which enables driving signals to manipulate feature tokens across both dimensions in each branch. Additionally, we introduce a mask-drop strategy that allows each driving signal to independently control its corresponding facial region within the mamba structure, preventing control conflicts. Experimental results demonstrate that our method produces natural-looking facial videos driven by diverse signals and that the mamba layer seamlessly integrates multiple driving modalities without conflict.

Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we investigate whether GNNs can exploit the graph structure from the perspective of the expressive power of GNNs. In our analysis, we consider graph generation processes that are controlled by hidden (or latent) node features, which contain all information about the graph structure. A typical example of this framework is kNN graphs constructed from the hidden features. In our main results, we show that GNNs can recover the hidden node features from the input graph alone, even when all node features, including the hidden features themselves and any indirect hints, are unavailable. GNNs can further use the recovered node features for downstream tasks. These results show that GNNs can fully exploit the graph structure by themselves, and in effect, GNNs can use both the hidden and explicit node features for downstream tasks. In the experiments, we confirm the validity of our results by showing that GNNs can accurately recover the hidden features using a GNN architecture built based on our theoretical analysis.

Diffusion models have emerged as a powerful class of generative models, capable of producing high-quality images by mapping noise to a data distribution. However, recent findings suggest that image likelihood does not align with perceptual quality: high-likelihood samples tend to be smooth, while lower-likelihood ones are more detailed. Controlling sample density is thus crucial for balancing realism and detail. In this paper, we analyze an existing technique, Prior Guidance, which scales the latent code to influence image detail. We introduce score alignment, a condition that explains why this method works and show that it can be tractably checked for any continuous normalizing flow model. We then propose Density Guidance, a principled modification of the generative ODE that enables exact log-density control during sampling. Finally, we extend Density Guidance to stochastic sampling, ensuring precise log-density control while allowing controlled variation in structure or fine details. Our experiments demonstrate that these techniques provide fine-grained control over image detail without compromising sample quality.

Text sentiment transfer aims to flip the sentiment polarity of a sentence (positive to negative or vice versa) while preserving its sentiment-independent content. Although current models show good results at changing the sentiment, content preservation in transferred sentences is insufficient. In this paper, we present a sentiment transfer model based on polarity-aware denoising, which accurately controls the sentiment attributes in generated text, preserving the content to a great extent and helping to balance the style-content trade-off. Our proposed model is structured around two key stages in the sentiment transfer process: better representation learning using a shared encoder and sentiment-controlled generation using separate sentiment-specific decoders. Empirical results show that our methods outperforms state-of-the-art baselines in terms of content preservation while staying competitive in terms of style transfer accuracy and fluency.

Recent developments show that Large Language Models (LLMs) produce state-of-the-art performance on natural language (NL) to code generation for resource-rich general-purpose languages like C++, Java, and Python. However, their practical usage for structured domain-specific languages (DSLs) such as YAML, JSON is limited due to domain-specific schema, grammar, and customizations generally unseen by LLMs during pre-training. Efforts have been made to mitigate this challenge via in-context learning through relevant examples or by fine-tuning. However, it suffers from problems, such as limited DSL samples and prompt sensitivity but enterprises maintain good documentation of the DSLs. Therefore, we propose DocCGen, a framework that can leverage such rich knowledge by breaking the NL-to-Code generation task for structured code languages into a two-step process. First, it detects the correct libraries using the library documentation that best matches the NL query. Then, it utilizes schema rules extracted from the documentation of these libraries to constrain the decoding. We evaluate our framework for two complex structured languages, Ansible YAML and Bash command, consisting of two settings: Out-of-domain (OOD) and In-domain (ID). Our extensive experiments show that DocCGen consistently improves different-sized language models across all six evaluation metrics, reducing syntactic and semantic errors in structured code. We plan to open-source the datasets and code to motivate research in constrained code generation.

Recent years have witnessed significant progress in generative models for music, featuring diverse architectures that balance output quality, diversity, speed, and user control. This study explores a user-friendly graphical interface enabling the drawing of masked regions for inpainting by an Hourglass Diffusion Transformer (HDiT) model trained on MIDI piano roll images. To enhance note generation in specified areas, masked regions can be "repainted" with extra noise. The non-latent HDiTs linear scaling with pixel count allows efficient generation in pixel space, providing intuitive and interpretable controls such as masking throughout the network and removing the need to operate in compressed latent spaces such as those provided by pretrained autoencoders. We demonstrate that, in addition to inpainting of melodies, accompaniment, and continuations, the use of repainting can help increase note density yielding musical structures closely matching user specifications such as rising, falling, or diverging melody and/or accompaniment, even when these lie outside the typical training data distribution. We achieve performance on par with prior results while operating at longer context windows, with no autoencoder, and can enable complex geometries for inpainting masks, increasing the options for machine-assisted composers to control the generated music.

Structured output representation is a generative task explored in computer vision that often times requires the mapping of low dimensional features to high dimensional structured outputs. Losses in complex spatial information in deterministic approaches such as Convolutional Neural Networks (CNN) lead to uncertainties and ambiguous structures within a single output representation. A probabilistic approach through deep Conditional Generative Models (CGM) is presented by Sohn et al. in which a particular model known as the Conditional Variational Auto-encoder (CVAE) is introduced and explored. While the original paper focuses on the task of image segmentation, this paper adopts the CVAE framework for the task of controlled output representation through attributes. This approach allows us to learn a disentangled multimodal prior distribution, resulting in more controlled and robust approach to sample generation. In this work we recreate the CVAE architecture and train it on images conditioned on various attributes obtained from two image datasets; the Large-scale CelebFaces Attributes (CelebA) dataset and the Caltech-UCSD Birds (CUB-200-2011) dataset. We attempt to generate new faces with distinct attributes such as hair color and glasses, as well as different bird species samples with various attributes. We further introduce strategies for improving generalized sample generation by applying a weighted term to the variational lower bound.

The performance of unified multimodal models for image generation and editing is fundamentally constrained by the quality and comprehensiveness of their training data. While existing datasets have covered basic tasks like style transfer and simple object manipulation, they often lack the systematic structure and challenging scenarios required for real-world applications. To address this bottleneck, we introduce OpenGPT-4o-Image, a large-scale dataset constructed using a novel methodology that combines hierarchical task taxonomy with automated data generation. Our taxonomy not only includes fundamental capabilities such as text rendering and style control but also introduces highly practical yet challenging categories like scientific imagery for chemistry illustrations and complex instruction editing requiring simultaneous execution of multiple operations. Through an automated pipeline leveraging structured resource pools and GPT-4o, we generate 80k high-quality instruction-image pairs with controlled diversity, covering 11 major domains and 51 subtasks. Extensive experiments show that fine-tuning leading models on our dataset achieves significant performance gains across multiple benchmarks, with improvements of up to 18\% on editing tasks (UniWorld-V1 on ImgEdit-Bench) and 13% on generation tasks (Harmon on GenEval). Our work demonstrates that systematic data construction is key to advancing multimodal AI capabilities.

The rapid advancement of large language models (LLMs) has enabled role-playing language agents to demonstrate significant potential in various applications. However, relying solely on prompts and contextual inputs often proves insufficient for achieving deep immersion in specific roles, particularly well-known fictional or public figures. On the other hand, fine-tuning-based approaches face limitations due to the challenges associated with data collection and the computational resources required for training, thereby restricting their broader applicability. To address these issues, we propose Test-Time-Matching (TTM), a training-free role-playing framework through test-time scaling and context engineering. TTM uses LLM agents to automatically decouple a character's features into personality, memory, and linguistic style. Our framework involves a structured, three-stage generation pipeline that utilizes these features for controlled role-playing. It achieves high-fidelity role-playing performance, also enables seamless combinations across diverse linguistic styles and even variations in personality and memory. We evaluate our framework through human assessment, and the results demonstrate that our method achieves the outstanding performance in generating expressive and stylistically consistent character dialogues.

In software maintenance, bug reproduction is essential for effective fault localization and repair. Manually writing reproduction scripts is a time-consuming task with high requirements for developers. Hence, automation of bug reproduction has increasingly attracted attention from researchers and practitioners. However, the existing studies on bug reproduction are generally limited to specific bug types such as program crashes, and hard to be applied to general bug reproduction. In this paper, considering the superior performance of agent-based methods in code intelligence tasks, we focus on designing an agent-based framework for the task. Directly employing agents would lead to limited bug reproduction performance, due to entangled subtasks, lengthy retrieved context, and unregulated actions. To mitigate the challenges, we propose an Automated gEneral buG reproductIon Scripts generation framework, named AEGIS, which is the first agent-based framework for the task. AEGIS mainly contains two modules: (1) A concise context construction module, which aims to guide the code agent in extracting structured information from issue descriptions, identifying issue-related code with detailed explanations, and integrating these elements to construct the concise context; (2) A FSM-based multi-feedback optimization module to further regulate the behavior of the code agent within the finite state machine (FSM), ensuring a controlled and efficient script generation process based on multi-dimensional feedback. Extensive experiments on the public benchmark dataset show that AEGIS outperforms the state-of-the-art baseline by 23.0% in F->P metric. In addition, the bug reproduction scripts generated by AEGIS can improve the relative resolved rate of Agentless by 12.5%.

We propose a method to control the attributes of Language Models (LMs) for the text generation task using Causal Average Treatment Effect (ATE) scores and counterfactual augmentation. We explore this method, in the context of LM detoxification, and propose the Causally Fair Language (CFL) architecture for detoxifying pre-trained LMs in a plug-and-play manner. Our architecture is based on a Structural Causal Model (SCM) that is mathematically transparent and computationally efficient as compared with many existing detoxification techniques. We also propose several new metrics that aim to better understand the behaviour of LMs in the context of toxic text generation. Further, we achieve state of the art performance for toxic degeneration, which are computed using \RTP (RTP) benchmark. Our experiments show that CFL achieves such a detoxification without much impact on the model perplexity. We also show that CFL mitigates the unintended bias problem through experiments on the BOLD dataset.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

With the recent development of generative models, Text-to-3D generations have also seen significant growth. Nonetheless, achieving precise control over 3D generation continues to be an arduous task, as using text to control often leads to missing objects and imprecise locations. Contemporary strategies for enhancing controllability in 3D generation often entail the introduction of additional parameters, such as customized diffusion models. This often induces hardness in adapting to different diffusion models or creating distinct objects. In this paper, we present LucidDreaming as an effective pipeline capable of fine-grained control over 3D generation. It requires only minimal input of 3D bounding boxes, which can be deduced from a simple text prompt using a Large Language Model. Specifically, we propose clipped ray sampling to separately render and optimize objects with user specifications. We also introduce object-centric density blob bias, fostering the separation of generated objects. With individual rendering and optimizing of objects, our method excels not only in controlled content generation from scratch but also within the pre-trained NeRF scenes. In such scenarios, existing generative approaches often disrupt the integrity of the original scene, and current editing methods struggle to synthesize new content in empty spaces. We show that our method exhibits remarkable adaptability across a spectrum of mainstream Score Distillation Sampling-based 3D generation frameworks, and achieves superior alignment of 3D content when compared to baseline approaches. We also provide a dataset of prompts with 3D bounding boxes, benchmarking 3D spatial controllability.

Code large language models (Code LLMs) have made significant progress in code generation by translating natural language descriptions into functional code; however, real-world applications often demand stricter adherence to detailed requirements such as coding style, line count, and structural constraints, beyond mere correctness. To address this, the paper introduces forward and backward constraints generation to improve the instruction-following capabilities of Code LLMs in controlled code generation, ensuring outputs align more closely with human-defined guidelines. The authors further present IFEvalCode, a multilingual benchmark comprising 1.6K test samples across seven programming languages (Python, Java, JavaScript, TypeScript, Shell, C++, and C#), with each sample featuring both Chinese and English queries. Unlike existing benchmarks, IFEvalCode decouples evaluation into two metrics: correctness (Corr.) and instruction-following (Instr.), enabling a more nuanced assessment. Experiments on over 40 LLMs reveal that closed-source models outperform open-source ones in controllable code generation and highlight a significant gap between the models' ability to generate correct code versus code that precisely follows instructions.

Controllable layout generation aims at synthesizing plausible arrangement of element bounding boxes with optional constraints, such as type or position of a specific element. In this work, we try to solve a broad range of layout generation tasks in a single model that is based on discrete state-space diffusion models. Our model, named LayoutDM, naturally handles the structured layout data in the discrete representation and learns to progressively infer a noiseless layout from the initial input, where we model the layout corruption process by modality-wise discrete diffusion. For conditional generation, we propose to inject layout constraints in the form of masking or logit adjustment during inference. We show in the experiments that our LayoutDM successfully generates high-quality layouts and outperforms both task-specific and task-agnostic baselines on several layout tasks.

Despite the power of Large Language Models (LLMs) like GPT-4, they still struggle with tasks that require generating complex, structured outputs. In this study, we assess the capability of Current LLMs in generating complex structured data and propose a structure-aware fine-tuning approach as a solution to improve this ability. To perform a comprehensive evaluation, we propose Struc-Bench, include five representative LLMs (i.e., GPT-NeoX 20B, GPT-3.5, GPT-4, and Vicuna) and evaluate them on our carefully constructed datasets spanning raw text, HTML, and LaTeX tables. Based on our analysis of current model performance, we identify specific common formatting errors and areas of potential improvement. To address complex formatting requirements, we utilize FormatCoT (Chain-of-Thought) to generate format instructions from target outputs. Our experiments show that our structure-aware fine-tuning method, when applied to LLaMA-7B, significantly improves adherence to natural language constraints, outperforming other evaluated LLMs. Based on these results, we present an ability map of model capabilities from six dimensions (i.e., coverage, formatting, reasoning, comprehension, pragmatics, and hallucination). This map highlights the weaknesses of LLMs in handling complex structured outputs and suggests promising directions for future work. Our code and models can be found at https://github.com/gersteinlab/Struc-Bench.

Procedural Content Generation (PCG) algorithms enable the automatic generation of complex and diverse artifacts. However, they don't provide high-level control over the generated content and typically require domain expertise. In contrast, text-to-3D methods allow users to specify desired characteristics in natural language, offering a high amount of flexibility and expressivity. But unlike PCG, such approaches cannot guarantee functionality, which is crucial for certain applications like game design. In this paper, we present a method for generating functional 3D artifacts from free-form text prompts in the open-world game Minecraft. Our method, DreamCraft, trains quantized Neural Radiance Fields (NeRFs) to represent artifacts that, when viewed in-game, match given text descriptions. We find that DreamCraft produces more aligned in-game artifacts than a baseline that post-processes the output of an unconstrained NeRF. Thanks to the quantized representation of the environment, functional constraints can be integrated using specialized loss terms. We show how this can be leveraged to generate 3D structures that match a target distribution or obey certain adjacency rules over the block types. DreamCraft inherits a high degree of expressivity and controllability from the NeRF, while still being able to incorporate functional constraints through domain-specific objectives.

As large language models (LLMs) are widely deployed across various domains, the ability to control their generated outputs has become more critical. This control involves aligning LLMs outputs with human values and ethical principles or customizing LLMs on specific topics or styles for individual users. Existing controlled generation methods either require significant computational resources and extensive trial-and-error or provide coarse-grained control. In this paper, we propose Generation with Concept Activation Vector (GCAV), a lightweight model control framework that ensures accurate control without requiring resource-extensive fine-tuning. Specifically, GCAV first trains a concept activation vector for specified concepts to be controlled, such as toxicity. During inference, GCAV steers the concept vector in LLMs, for example, by removing the toxicity concept vector from the activation layers. Control experiments from different perspectives, including toxicity reduction, sentiment control, linguistic style, and topic control, demonstrate that our framework achieves state-of-the-art performance with granular control, allowing for fine-grained adjustments of both the steering layers and the steering magnitudes for individual samples.

Recent approaches such as ControlNet offer users fine-grained spatial control over text-to-image (T2I) diffusion models. However, auxiliary modules have to be trained for each type of spatial condition, model architecture, and checkpoint, putting them at odds with the diverse intents and preferences a human designer would like to convey to the AI models during the content creation process. In this work, we present FreeControl, a training-free approach for controllable T2I generation that supports multiple conditions, architectures, and checkpoints simultaneously. FreeControl designs structure guidance to facilitate the structure alignment with a guidance image, and appearance guidance to enable the appearance sharing between images generated using the same seed. Extensive qualitative and quantitative experiments demonstrate the superior performance of FreeControl across a variety of pre-trained T2I models. In particular, FreeControl facilitates convenient training-free control over many different architectures and checkpoints, allows the challenging input conditions on which most of the existing training-free methods fail, and achieves competitive synthesis quality with training-based approaches.

Discovering novel materials is critical for technological advancements such as solar cells, batteries, and carbon capture. However, the development of new materials is constrained by a slow and expensive trial-and-error process. To accelerate this pipeline, we introduce PLaID++, a Large Language Model (LLM) fine-tuned for stable and property-guided crystal generation. We fine-tune Qwen-2.5 7B to generate crystal structures using a novel Wyckoff-based text representation. We show that generation can be effectively guided with a reinforcement learning technique based on Direct Preference Optimization (DPO), with sampled structures categorized by their stability, novelty, and space group. By encoding symmetry constraints directly into text and guiding model outputs towards desirable chemical space, PLaID++ generates structures that are thermodynamically stable, unique, and novel at a sim50\% greater rate than prior methods and conditionally generates structures with desired space group properties. Our experiments highlight the effectiveness of iterative DPO, achieving sim115\% and sim50\% improvements in unconditional and space group conditioned generation, respectively, compared to fine-tuning alone. Our work demonstrates the potential of adapting post-training techniques from natural language processing to materials design, paving the way for targeted and efficient discovery of novel materials.

A human author can write any length of story without losing coherence. Also, they always bring the story to a proper ending, an ability that current language models lack. In this work, we present the LongStory for coherent, complete, and length-controlled long story generation. LongStory introduces two novel methodologies: (1) the long and short-term contexts weight calibrator (CWC) and (2) long story structural positions (LSP). The CWC adjusts weights for long-term context Memory and short-term context Cheating, acknowledging their distinct roles. The LSP employs discourse tokens to convey the structural positions of a long story. Trained on three datasets with varied average story lengths, LongStory outperforms other baselines, including the strong story generator Plotmachine, in coherence, completeness, relevance, and repetitiveness. We also perform zero-shot tests on each dataset to assess the model's ability to predict outcomes beyond its training data and validate our methodology by comparing its performance with variants of our model.

Controllable text generation systems often leverage control codes to direct various properties of the output like style and length. Inspired by recent work on causal inference for NLP, this paper reveals a previously overlooked flaw in these control code-based conditional text generation algorithms. Spurious correlations in the training data can lead models to incorrectly rely on parts of the input other than the control code for attribute selection, significantly undermining downstream generation quality and controllability. We demonstrate the severity of this issue with a series of case studies and then propose two simple techniques to reduce these correlations in training sets. The first technique is based on resampling the data according to an example's propensity towards each linguistic attribute (IPS). The second produces multiple counterfactual versions of each example and then uses an additional feedback mechanism to remove noisy examples (feedback aware self-training, FAST). We evaluate on 3 tasks -- news headline, meta review, and search ads generation -- and demonstrate that FAST can significantly improve the controllability and language quality of generated outputs when compared to state-of-the-art controllable text generation approaches.

We propose a general and efficient framework to control auto-regressive generation models with NeurAlly-Decomposed Oracle (NADO). Given a pre-trained base language model and a sequence-level boolean oracle function, we propose to decompose the oracle function into token-level guidance to steer the base model in text generation. Specifically, the token-level guidance is approximated by a neural model trained with examples sampled from the base model, demanding no additional auxiliary labeled data. Based on posterior regularization, we present the closed-form optimal solution to incorporate the token-level guidance into the base model for controllable generation. We further provide a theoretical analysis of how the approximation quality of NADO affects the controllable generation results. Experiments conducted on two applications: (1) text generation with lexical constraints and (2) machine translation with formality control demonstrate that our framework efficiently guides the base model towards the given oracle while maintaining high generation quality.

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

We consider controllable DNA sequence design, where sequences are generated by conditioning on specific biological properties. While language models (LMs) such as GPT and BERT have achieved remarkable success in natural language generation, their application to DNA sequence generation remains largely underexplored. In this work, we introduce ATGC-Gen, an Automated Transformer Generator for Controllable Generation, which leverages cross-modal encoding to integrate diverse biological signals. ATGC-Gen is instantiated with both decoder-only and encoder-only transformer architectures, allowing flexible training and generation under either autoregressive or masked recovery objectives. We evaluate ATGC-Gen on representative tasks including promoter and enhancer sequence design, and further introduce a new dataset based on ChIP-Seq experiments for modeling protein binding specificity. Our experiments demonstrate that ATGC-Gen can generate fluent, diverse, and biologically relevant sequences aligned with the desired properties. Compared to prior methods, our model achieves notable improvements in controllability and functional relevance, highlighting the potential of language models in advancing programmable genomic design. The source code is released at (https://github.com/divelab/AIRS/blob/main/OpenBio/ATGC_Gen).

Controlling the syntactic structure of text generated by language models is valuable for applications requiring clarity, stylistic consistency, or interpretability, yet it remains a challenging task. In this paper, we argue that sampling algorithms based on the posterior inference can effectively enforce a target constituency structure during generation. Our approach combines sequential Monte Carlo, which estimates the posterior distribution by sampling from a proposal distribution, with a syntactic tagger that ensures that each generated token aligns with the desired syntactic structure. Our experiments with GPT2 and Llama3-8B models show that with an appropriate proposal distribution, we can improve syntactic accuracy, increasing the F1 score from 12.31 (GPT2-large) and 35.33 (Llama3-8B) to about 93 in both cases without compromising the language model's fluency. These results underscore both the complexity of syntactic control and the effectiveness of sampling algorithms, offering a promising approach for applications where precise control over syntax is essential.

As the text generation capabilities of large language models become increasingly prominent, recent studies have focused on controlling particular aspects of the generated text to make it more personalized. However, most research on controllable text generation focuses on controlling the content or modeling specific high-level/coarse-grained attributes that reflect authors' writing styles, such as formality, domain, or sentiment. In this paper, we focus on controlling fine-grained attributes spanning multiple linguistic dimensions, such as lexical and syntactic attributes. We introduce a novel benchmark to train generative models and evaluate their ability to generate personalized text based on multiple fine-grained linguistic attributes. We systematically investigate the performance of various large language models on our benchmark and draw insights from the factors that impact their performance. We make our code, data, and pretrained models publicly available.

Controllable text generation is a growing field within natural language generation (NLG) that focuses on producing text that meets specific constraints in real-world applications. Previous approaches, such as plug-and-play controllers (PPCs), aimed to steer the properties of generated text in a flexible manner. However, these methods often compromised the integrity of the language model's decoding process, resulting in less smooth text generation. Alternatively, other techniques utilized multiple attribute prompts to align the generated text with desired attributes, but this approach required prompt design for each attribute and was dependent on the size of the language model. This paper introduces a novel method for flexible attribute control in text generation using pre-trained language models (PLMs). The proposed approach aims to enhance the fluency of generated text by guiding the generation process with PPCs. The key idea is to dynamically adjust the distribution of generated text by modifying prompts, effectively constraining the output space of the language model and influencing the desired attribute. To enable smooth cooperation between the PLM and the PPC, our work innovatively proposes a new model fine-tuning method: Reinforcement Learning with Dynamic Adjust Feedback (RLDAF).This fine-tuning process adapts a small subset of the language model's parameters based on the generating actions taken during the PPC control process. The resulting harmonious collaboration between the PLM and PPC leads to improved smoothness in text generation during inference. Extensive experiments were conducted on the SST2 dataset, and the proposed method outperformed previous approaches in various evaluation metrics, including text fluency and attribute consistency.

Controllable image synthesis, which enables fine-grained control over generated outputs, has emerged as a key focus in visual generative modeling. However, controllable generation remains challenging for Visual Autoregressive (VAR) models due to their hierarchical, next-scale prediction style. Existing VAR-based methods often suffer from inefficient control encoding and disruptive injection mechanisms that compromise both fidelity and efficiency. In this work, we present SCALAR, a controllable generation method based on VAR, incorporating a novel Scale-wise Conditional Decoding mechanism. SCALAR leverages a pretrained image encoder to extract semantic control signal encodings, which are projected into scale-specific representations and injected into the corresponding layers of the VAR backbone. This design provides persistent and structurally aligned guidance throughout the generation process. Building on SCALAR, we develop SCALAR-Uni, a unified extension that aligns multiple control modalities into a shared latent space, supporting flexible multi-conditional guidance in a single model. Extensive experiments show that SCALAR achieves superior generation quality and control precision across various tasks.

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled generation in general. In this work we introduce D-Flow, a simple framework for controlling the generation process by differentiating through the flow, optimizing for the source (noise) point. We motivate this framework by our key observation stating that for Diffusion/FM models trained with Gaussian probability paths, differentiating through the generation process projects gradient on the data manifold, implicitly injecting the prior into the optimization process. We validate our framework on linear and non-linear controlled generation problems including: image and audio inverse problems and conditional molecule generation reaching state of the art performance across all.

ControlNet offers a powerful way to guide diffusion-based generative models, yet most implementations rely on ad-hoc heuristics to choose which network blocks to control-an approach that varies unpredictably with different tasks. To address this gap, we propose FlexControl, a novel framework that copies all diffusion blocks during training and employs a trainable gating mechanism to dynamically select which blocks to activate at each denoising step. With introducing a computation-aware loss, we can encourage control blocks only to activate when it benefit the generation quality. By eliminating manual block selection, FlexControl enhances adaptability across diverse tasks and streamlines the design pipeline, with computation-aware training loss in an end-to-end training manner. Through comprehensive experiments on both UNet (e.g., SD1.5) and DiT (e.g., SD3.0), we show that our method outperforms existing ControlNet variants in certain key aspects of interest. As evidenced by both quantitative and qualitative evaluations, FlexControl preserves or enhances image fidelity while also reducing computational overhead by selectively activating the most relevant blocks. These results underscore the potential of a flexible, data-driven approach for controlled diffusion and open new avenues for efficient generative model design.

Generative Adversarial Networks (GANs) struggle to generate structured objects like molecules and game maps. The issue is that structured objects must satisfy hard requirements (e.g., molecules must be chemically valid) that are difficult to acquire from examples alone. As a remedy, we propose Constrained Adversarial Networks (CANs), an extension of GANs in which the constraints are embedded into the model during training. This is achieved by penalizing the generator proportionally to the mass it allocates to invalid structures. In contrast to other generative models, CANs support efficient inference of valid structures (with high probability) and allows to turn on and off the learned constraints at inference time. CANs handle arbitrary logical constraints and leverage knowledge compilation techniques to efficiently evaluate the disagreement between the model and the constraints. Our setup is further extended to hybrid logical-neural constraints for capturing very complex constraints, like graph reachability. An extensive empirical analysis shows that CANs efficiently generate valid structures that are both high-quality and novel.

Recent advancements in generative models have unlocked the capabilities to render photo-realistic data in a controllable fashion. Trained on the real data, these generative models are capable of producing realistic samples with minimal to no domain gap, as compared to the traditional graphics rendering. However, using the data generated using such models for training downstream tasks remains under-explored, mainly due to the lack of 3D consistent annotations. Moreover, controllable generative models are learned from massive data and their latent space is often too vast to obtain meaningful sample distributions for downstream task with limited generation. To overcome these challenges, we extract 3D consistent annotations from an existing controllable generative model, making the data useful for downstream tasks. Our experiments show competitive performance against state-of-the-art models using only generated synthetic data, demonstrating potential for solving downstream tasks. Project page: https://synth-forge.github.io

The controllable generation of diffusion models aims to steer the model to generate samples that optimize some given objective functions. It is desirable for a variety of applications including image generation, molecule generation, and DNA/sequence generation. Reinforcement Learning (RL) based fine-tuning of the base model is a popular approach but it can overfit the reward function while requiring significant resources. We frame controllable generation as a problem of finding a distribution that optimizes a KL-regularized objective function. We present SLCD -- Supervised Learning based Controllable Diffusion, which iteratively generates online data and trains a small classifier to guide the generation of the diffusion model. Similar to the standard classifier-guided diffusion, SLCD's key computation primitive is classification and does not involve any complex concepts from RL or control. Via a reduction to no-regret online learning analysis, we show that under KL divergence, the output from SLCD provably converges to the optimal solution of the KL-regularized objective. Further, we empirically demonstrate that SLCD can generate high quality samples with nearly the same inference time as the base model in both image generation with continuous diffusion and biological sequence generation with discrete diffusion. Our code is available at https://github.com/Owen-Oertell/slcd

Recent controllable generation approaches such as FreeControl and Diffusion Self-guidance bring fine-grained spatial and appearance control to text-to-image (T2I) diffusion models without training auxiliary modules. However, these methods optimize the latent embedding for each type of score function with longer diffusion steps, making the generation process time-consuming and limiting their flexibility and use. This work presents Ctrl-X, a simple framework for T2I diffusion controlling structure and appearance without additional training or guidance. Ctrl-X designs feed-forward structure control to enable the structure alignment with a structure image and semantic-aware appearance transfer to facilitate the appearance transfer from a user-input image. Extensive qualitative and quantitative experiments illustrate the superior performance of Ctrl-X on various condition inputs and model checkpoints. In particular, Ctrl-X supports novel structure and appearance control with arbitrary condition images of any modality, exhibits superior image quality and appearance transfer compared to existing works, and provides instant plug-and-play functionality to any T2I and text-to-video (T2V) diffusion model. See our project page for an overview of the results: https://genforce.github.io/ctrl-x

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.

Large-scale Causal Language Models (CLMs), e.g., GPT3 and ChatGPT, have brought great success in text generation. However, it is still an open challenge to control the generation process of CLM while balancing flexibility, control granularity, and generation efficiency. In this paper, we provide a new alternative for controllable text generation (CTG), by designing a non-intrusive, lightweight control plugin to accompany the generation of CLM at arbitrary time steps. The proposed control plugin, namely Residual Memory Transformer (RMT), has an encoder-decoder setup, which can accept any types of control conditions and cooperate with CLM through a residual learning paradigm, to achieve a more flexible, general, and efficient CTG. Extensive experiments are carried out on various control tasks, in the form of both automatic and human evaluations. The results show the superiority of RMT over a range of state-of-the-art approaches, proving the effectiveness and versatility of our approach.

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are better (e.g., more stable) than existing sequences. Thus, by definition, the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE considerably outperforms state-of-the-art approaches despite its simplicity. Our code and models are available at: https://github.com/vishakhpk/iter-extrapolation.

Generating 3D shapes at part level is pivotal for downstream applications such as mesh retopology, UV mapping, and 3D printing. However, existing part-based generation methods often lack sufficient controllability and suffer from poor semantically meaningful decomposition. To this end, we introduce X-Part, a controllable generative model designed to decompose a holistic 3D object into semantically meaningful and structurally coherent parts with high geometric fidelity. X-Part exploits the bounding box as prompts for the part generation and injects point-wise semantic features for meaningful decomposition. Furthermore, we design an editable pipeline for interactive part generation. Extensive experimental results show that X-Part achieves state-of-the-art performance in part-level shape generation. This work establishes a new paradigm for creating production-ready, editable, and structurally sound 3D assets. Codes will be released for public research.

Vision-language-action (VLA) models increasingly rely on diverse training data to achieve robust generalization. However, collecting large-scale real-world robot manipulation data across varied object appearances and environmental conditions remains prohibitively time-consuming and expensive. To overcome this bottleneck, we propose Embodied Manipulation Media Adaptation (EMMA), a VLA policy enhancement framework that integrates a generative data engine with an effective training pipeline. We introduce DreamTransfer, a diffusion Transformer-based framework for generating multi-view consistent, geometrically grounded embodied manipulation videos. DreamTransfer enables text-controlled visual editing of robot videos, transforming foreground, background, and lighting conditions without compromising 3D structure or geometrical plausibility. Furthermore, we explore hybrid training with real and generated data, and introduce AdaMix, a hard-sample-aware training strategy that dynamically reweights training batches to focus optimization on perceptually or kinematically challenging samples. Extensive experiments show that videos generated by DreamTransfer significantly outperform prior video generation methods in multi-view consistency, geometric fidelity, and text-conditioning accuracy. Crucially, VLAs trained with generated data enable robots to generalize to unseen object categories and novel visual domains using only demonstrations from a single appearance. In real-world robotic manipulation tasks with zero-shot visual domains, our approach achieves over a 200% relative performance gain compared to training on real data alone, and further improves by 13% with AdaMix, demonstrating its effectiveness in boosting policy generalization.

Medical video generation has transformative potential for enhancing surgical understanding and pathology insights through precise and controllable visual representations. However, current models face limitations in controllability and authenticity. To bridge this gap, we propose SurgSora, a motion-controllable surgical video generation framework that uses a single input frame and user-controllable motion cues. SurgSora consists of three key modules: the Dual Semantic Injector (DSI), which extracts object-relevant RGB and depth features from the input frame and integrates them with segmentation cues to capture detailed spatial features of complex anatomical structures; the Decoupled Flow Mapper (DFM), which fuses optical flow with semantic-RGB-D features at multiple scales to enhance temporal understanding and object spatial dynamics; and the Trajectory Controller (TC), which allows users to specify motion directions and estimates sparse optical flow, guiding the video generation process. The fused features are used as conditions for a frozen Stable Diffusion model to produce realistic, temporally coherent surgical videos. Extensive evaluations demonstrate that SurgSora outperforms state-of-the-art methods in controllability and authenticity, showing its potential to advance surgical video generation for medical education, training, and research.

Diffusion models have demonstrated remarkable and robust abilities in both image and video generation. To achieve greater control over generated results, researchers introduce additional architectures, such as ControlNet, Adapters and ReferenceNet, to integrate conditioning controls. However, current controllable generation methods often require substantial additional computational resources, especially for video generation, and face challenges in training or exhibit weak control. In this paper, we propose ControlNeXt: a powerful and efficient method for controllable image and video generation. We first design a more straightforward and efficient architecture, replacing heavy additional branches with minimal additional cost compared to the base model. Such a concise structure also allows our method to seamlessly integrate with other LoRA weights, enabling style alteration without the need for additional training. As for training, we reduce up to 90% of learnable parameters compared to the alternatives. Furthermore, we propose another method called Cross Normalization (CN) as a replacement for Zero-Convolution' to achieve fast and stable training convergence. We have conducted various experiments with different base models across images and videos, demonstrating the robustness of our method.

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

Generative models (e.g., GANs, diffusion models) learn the underlying data distribution in an unsupervised manner. However, many applications of interest require sampling from a particular region of the output space or sampling evenly over a range of characteristics. For efficient sampling in these scenarios, we propose Generative Visual Prompt (PromptGen), a framework for distributional control over pre-trained generative models by incorporating knowledge of other off-the-shelf models. PromptGen defines control as energy-based models (EBMs) and samples images in a feed-forward manner by approximating the EBM with invertible neural networks, avoiding optimization at inference. Our experiments demonstrate how PromptGen can efficiently sample from several unconditional generative models (e.g., StyleGAN2, StyleNeRF, diffusion autoencoder, NVAE) in a controlled or/and de-biased manner using various off-the-shelf models: (1) with the CLIP model as control, PromptGen can sample images guided by text, (2) with image classifiers as control, PromptGen can de-bias generative models across a set of attributes or attribute combinations, and (3) with inverse graphics models as control, PromptGen can sample images of the same identity in different poses. (4) Finally, PromptGen reveals that the CLIP model shows a "reporting bias" when used as control, and PromptGen can further de-bias this controlled distribution in an iterative manner. The code is available at https://github.com/ChenWu98/Generative-Visual-Prompt.

In Natural Language Processing (NLP), Large Language Models (LLMs) have demonstrated high text generation quality. However, in real-world applications, LLMs must meet increasingly complex requirements. Beyond avoiding misleading or inappropriate content, LLMs are also expected to cater to specific user needs, such as imitating particular writing styles or generating text with poetic richness. These varied demands have driven the development of Controllable Text Generation (CTG) techniques, which ensure that outputs adhere to predefined control conditions--such as safety, sentiment, thematic consistency, and linguistic style--while maintaining high standards of helpfulness, fluency, and diversity. This paper systematically reviews the latest advancements in CTG for LLMs, offering a comprehensive definition of its core concepts and clarifying the requirements for control conditions and text quality. We categorize CTG tasks into two primary types: content control and attribute control. The key methods are discussed, including model retraining, fine-tuning, reinforcement learning, prompt engineering, latent space manipulation, and decoding-time intervention. We analyze each method's characteristics, advantages, and limitations, providing nuanced insights for achieving generation control. Additionally, we review CTG evaluation methods, summarize its applications across domains, and address key challenges in current research, including reduced fluency and practicality. We also propose several appeals, such as placing greater emphasis on real-world applications in future research. This paper aims to offer valuable guidance to researchers and developers in the field. Our reference list and Chinese version are open-sourced at https://github.com/IAAR-Shanghai/CTGSurvey.

The field of image synthesis has made tremendous strides forward in the last years. Besides defining the desired output image with text-prompts, an intuitive approach is to additionally use spatial guidance in form of an image, such as a depth map. For this, a recent and highly popular approach is to use a controlling network, such as ControlNet, in combination with a pre-trained image generation model, such as Stable Diffusion. When evaluating the design of existing controlling networks, we observe that they all suffer from the same problem of a delay in information flowing between the generation and controlling process. This, in turn, means that the controlling network must have generative capabilities. In this work we propose a new controlling architecture, called ControlNet-XS, which does not suffer from this problem, and hence can focus on the given task of learning to control. In contrast to ControlNet, our model needs only a fraction of parameters, and hence is about twice as fast during inference and training time. Furthermore, the generated images are of higher quality and the control is of higher fidelity. All code and pre-trained models will be made publicly available.

In controllable generation tasks, flexibly manipulating the generated images to attain a desired appearance or structure based on a single input image cue remains a critical and longstanding challenge. Achieving this requires the effective decoupling of key attributes within the input image data, aiming to get representations accurately. Previous research has predominantly concentrated on disentangling image attributes within feature space. However, the complex distribution present in real-world data often makes the application of such decoupling algorithms to other datasets challenging. Moreover, the granularity of control over feature encoding frequently fails to meet specific task requirements. Upon scrutinizing the characteristics of various generative models, we have observed that the input sensitivity and dynamic evolution properties of the diffusion model can be effectively fused with the explicit decomposition operation in pixel space. This integration enables the image processing operations performed in pixel space for a specific feature distribution of the input image, and can achieve the desired control effect in the generated results. Therefore, we propose FilterPrompt, an approach to enhance the model control effect. It can be universally applied to any diffusion model, allowing users to adjust the representation of specific image features in accordance with task requirements, thereby facilitating more precise and controllable generation outcomes. In particular, our designed experiments demonstrate that the FilterPrompt optimizes feature correlation, mitigates content conflicts during the generation process, and enhances the model's control capability.

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent diffusion-based models have achieved state-of-the-art FID scores, they tend to exhibit more pronounced misalignment compared to earlier transformer-based models. In this work, we propose the LAyout Constraint diffusion modEl (LACE), a unified model to handle a broad range of layout generation tasks, such as arranging elements with specified attributes and refining or completing a coarse layout design. The model is based on continuous diffusion models. Compared with existing methods that use discrete diffusion models, continuous state-space design can enable the incorporation of differentiable aesthetic constraint functions in training. For conditional generation, we introduce conditions via masked input. Extensive experiment results show that LACE produces high-quality layouts and outperforms existing state-of-the-art baselines.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

Recently, there is a growing interest in creating computer-aided design (CAD) models based on user intent, known as controllable CAD generation. Existing work offers limited controllability and needs separate models for different types of control, reducing efficiency and practicality. To achieve controllable generation across all CAD construction hierarchies, such as sketch-extrusion, extrusion, sketch, face, loop and curve, we propose FlexCAD, a unified model by fine-tuning large language models (LLMs). First, to enhance comprehension by LLMs, we represent a CAD model as a structured text by abstracting each hierarchy as a sequence of text tokens. Second, to address various controllable generation tasks in a unified model, we introduce a hierarchy-aware masking strategy. Specifically, during training, we mask a hierarchy-aware field in the CAD text with a mask token. This field, composed of a sequence of tokens, can be set flexibly to represent various hierarchies. Subsequently, we ask LLMs to predict this masked field. During inference, the user intent is converted into a CAD text with a mask token replacing the part the user wants to modify, which is then fed into FlexCAD to generate new CAD models. Comprehensive experiments on public dataset demonstrate the effectiveness of FlexCAD in both generation quality and controllability. Code will be available at https://github.com/microsoft/FlexCAD.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

Recent advances in autoregressive (AR) models have demonstrated their potential to rival diffusion models in image synthesis. However, for complex spatially-conditioned generation, current AR approaches rely on fine-tuning the pre-trained model, leading to significant training costs. In this paper, we propose the Efficient Control Model (ECM), a plug-and-play framework featuring a lightweight control module that introduces control signals via a distributed architecture. This architecture consists of context-aware attention layers that refine conditional features using real-time generated tokens, and a shared gated feed-forward network (FFN) designed to maximize the utilization of its limited capacity and ensure coherent control feature learning. Furthermore, recognizing the critical role of early-stage generation in determining semantic structure, we introduce an early-centric sampling strategy that prioritizes learning early control sequences. This approach reduces computational cost by lowering the number of training tokens per iteration, while a complementary temperature scheduling during inference compensates for the resulting insufficient training of late-stage tokens. Extensive experiments on scale-based AR models validate that our method achieves high-fidelity and diverse control over image generation, surpassing existing baselines while significantly improving both training and inference efficiency.

We design controlled experiments to study HOW generative language models, like GPT, learn context-free grammars (CFGs) -- diverse language systems with a tree-like structure capturing many aspects of natural languages, programs, and logics. CFGs are as hard as pushdown automata, and can be ambiguous so that verifying if a string satisfies the rules requires dynamic programming. We construct synthetic data and demonstrate that even for difficult (long and ambiguous) CFGs, pre-trained transformers can learn to generate sentences with near-perfect accuracy and impressive diversity. More importantly, we delve into the physical principles behind how transformers learns CFGs. We discover that the hidden states within the transformer implicitly and precisely encode the CFG structure (such as putting tree node information exactly on the subtree boundary), and learn to form "boundary to boundary" attentions resembling dynamic programming. We also cover some extension of CFGs as well as the robustness aspect of transformers against grammar mistakes. Overall, our research provides a comprehensive and empirical understanding of how transformers learn CFGs, and reveals the physical mechanisms utilized by transformers to capture the structure and rules of languages.

Prior work in style-controlled text generation has focused on tasks such as emulating the style of prolific literary authors, producing formal or informal text, and the degree of toxicity of generated text. Plentiful demonstrations of these styles are available, and as a result modern language models are often able to emulate them, either via prompting or discriminative control. However, in applications such as writing assistants, it is desirable for language models to produce text in an author-specific style on the basis of a small writing sample. We find that instruction-tuned language models can struggle to reproduce author-specific style demonstrated in a prompt. Instead, we propose to guide a language model to generate text in a target style using contrastively-trained representations that capture stylometric features. A central challenge in doing so is that an author's writing is characterized by surprising token choices under a generic language model. To reconcile this tension, we combine generative re-scoring to achieve an author-specific model, with discriminative control to ensure style consistency at the sequence-level. The combination of these approaches is found to be particularly effective at adhering to an author-specific style in a variety of conditions, including unconditional generation and style transfer, and is applicable to any underlying language model without requiring fine-tuning.

Large pre-trained language models are capable of generating realistic text. However, controlling these models so that the generated text satisfies lexical constraints, i.e., contains specific words, is a challenging problem. Given that state-of-the-art language models are too large to be trained from scratch in a manageable time, it is desirable to control these models without re-training them. Methods capable of doing this are called plug-and-play. Recent plug-and-play methods have been successful in constraining small bidirectional language models as well as forward models in tasks with a restricted search space, e.g., machine translation. However, controlling large transformer-based models to meet lexical constraints without re-training them remains a challenge. In this work, we propose Directed Beam Search (DBS), a plug-and-play method for lexically constrained language generation. Our method can be applied to any language model, is easy to implement and can be used for general language generation. In our experiments we use DBS to control GPT-2. We demonstrate its performance on keyword-to-phrase generation and we obtain comparable results as a state-of-the-art non-plug-and-play model for lexically constrained story generation.

Lyrics generation presents unique challenges, particularly in achieving precise syllable control while adhering to song form structures such as verses and choruses. Conventional line-by-line approaches often lead to unnatural phrasing, underscoring the need for more granular syllable management. We propose a framework for lyrics generation that enables multi-level syllable control at the word, phrase, line, and paragraph levels, aware of song form. Our approach generates complete lyrics conditioned on input text and song form, ensuring alignment with specified syllable constraints. Generated lyrics samples are available at: https://tinyurl.com/lyrics9999

As Large Language Models (LLMs) become integral to software development workflows, their ability to generate structured outputs has become critically important. We introduce StructEval, a comprehensive benchmark for evaluating LLMs' capabilities in producing both non-renderable (JSON, YAML, CSV) and renderable (HTML, React, SVG) structured formats. Unlike prior benchmarks, StructEval systematically evaluates structural fidelity across diverse formats through two paradigms: 1) generation tasks, producing structured output from natural language prompts, and 2) conversion tasks, translating between structured formats. Our benchmark encompasses 18 formats and 44 types of task, with novel metrics for format adherence and structural correctness. Results reveal significant performance gaps, even state-of-the-art models like o1-mini achieve only 75.58 average score, with open-source alternatives lagging approximately 10 points behind. We find generation tasks more challenging than conversion tasks, and producing correct visual content more difficult than generating text-only structures.

With the remarkable recent progress on learning deep generative models, it becomes increasingly interesting to develop models for controllable image synthesis from reconfigurable inputs. This paper focuses on a recent emerged task, layout-to-image, to learn generative models that are capable of synthesizing photo-realistic images from spatial layout (i.e., object bounding boxes configured in an image lattice) and style (i.e., structural and appearance variations encoded by latent vectors). This paper first proposes an intuitive paradigm for the task, layout-to-mask-to-image, to learn to unfold object masks of given bounding boxes in an input layout to bridge the gap between the input layout and synthesized images. Then, this paper presents a method built on Generative Adversarial Networks for the proposed layout-to-mask-to-image with style control at both image and mask levels. Object masks are learned from the input layout and iteratively refined along stages in the generator network. Style control at the image level is the same as in vanilla GANs, while style control at the object mask level is realized by a proposed novel feature normalization scheme, Instance-Sensitive and Layout-Aware Normalization. In experiments, the proposed method is tested in the COCO-Stuff dataset and the Visual Genome dataset with state-of-the-art performance obtained.

Sequence generation applications require satisfying semantic constraints, such as ensuring that programs are correct, using certain keywords, or avoiding undesirable content. Language models, whether fine-tuned or prompted with few-shot demonstrations, frequently violate these constraints, and lack a mechanism to iteratively revise their outputs. Moreover, some powerful language models are of extreme scale or inaccessible, making it inefficient, if not infeasible, to update their parameters for task-specific adaptation. We present Self-Correction, an approach that decouples an imperfect base generator (an off-the-shelf language model or supervised sequence-to-sequence model) from a separate corrector that learns to iteratively correct imperfect generations. To train the corrector, we propose an online training procedure that can use either scalar or natural language feedback on intermediate imperfect generations. We show that Self-Correction improves upon the base generator in three diverse generation tasks - mathematical program synthesis, lexically-constrained generation, and toxicity control - even when the corrector is much smaller than the base generator.

Diffusion models, originally developed for image generation, have emerged as a promising alternative to autoregressive large language models (LLMs). We present a theoretical analysis comparing autoregressive and masked diffusion LLMs, revealing that the intrinsic bidirectional attention mechanism of diffusion LLMs (dLLMs) enables superior context modeling and generation controllability. However, existing dLLM applications face significant challenges in controllable generation: the native multi-step denoising process exhibits high sensitivity to sequence length, elevated hallucination rates, and prohibitive inference costs without specialized optimizations. To address these limitations, we propose Self-adaptive Schema Scaffolding (S^3), a novel framework that enables dLLMs to generate structured outputs (e.g., JSON) while maintaining semantic fidelity and accelerating inference. Our approach injects the target schema structure into the output context, reducing unnecessary computation while improving controllability. Extensive experiments demonstrate that S^3 achieves substantial improvements: 65\% increase in structural adherence, 48\% enhancement in content fidelity, and 17\% reduction in hallucination rates compared to baseline. These results establish both theoretical foundations and practical pathways for deploying diffusion models in controllable text generation tasks. Code and data will be publicly released.

Controlled Text Generation (CTG) aims to produce texts that exhibit specific desired attributes. In this study, we introduce a pluggable CTG framework for Large Language Models (LLMs) named Dynamic Attribute Graphs-based controlled text generation (DATG). This framework utilizes an attribute scorer to evaluate the attributes of sentences generated by LLMs and constructs dynamic attribute graphs. DATG modulates the occurrence of key attribute words and key anti-attribute words, achieving effective attribute control without compromising the original capabilities of the model. We conduct experiments across four datasets in two tasks: toxicity mitigation and sentiment transformation, employing five LLMs as foundational models. Our findings highlight a remarkable enhancement in control accuracy, achieving a peak improvement of 19.29% over baseline methods in the most favorable task across four datasets. Additionally, we observe a significant decrease in perplexity, markedly improving text fluency.

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.

In the realm of Large Language Models (LLMs), users commonly employ diverse decoding strategies and adjust hyperparameters to control the generated text. However, a critical question emerges: Are LLMs conscious of the existence of these decoding strategies and capable of regulating themselves? The current decoding generation process often relies on empirical and heuristic manual adjustments to hyperparameters based on types of tasks and demands. However, this process is typically cumbersome, and the decoding hyperparameters may not always be optimal for each sample. To address the aforementioned challenges, we propose a novel text generation paradigm termed Hyperparameter Aware Generation (HAG). By leveraging hyperparameter-aware instruction tuning, the LLM autonomously determines the optimal decoding strategy and configs based on the input samples, enabling self-regulation. Our approach eliminates the need for extensive manual tuning, offering a more autonomous, self-regulate model behavior. Experimental results spanning six datasets across reasoning, creativity, translation, and mathematics tasks demonstrate that hyperparameter-aware instruction tuning empowers the LLMs to self-regulate the decoding strategy and hyperparameter. HAG extends the current paradigm in the text generation process, highlighting the feasibility of endowing the LLMs with self-regulate decoding strategies.

Current text-to-image generation models often struggle to follow textual instructions, especially the ones requiring spatial reasoning. On the other hand, Large Language Models (LLMs), such as GPT-4, have shown remarkable precision in generating code snippets for sketching out text inputs graphically, e.g., via TikZ. In this work, we introduce Control-GPT to guide the diffusion-based text-to-image pipelines with programmatic sketches generated by GPT-4, enhancing their abilities for instruction following. Control-GPT works by querying GPT-4 to write TikZ code, and the generated sketches are used as references alongside the text instructions for diffusion models (e.g., ControlNet) to generate photo-realistic images. One major challenge to training our pipeline is the lack of a dataset containing aligned text, images, and sketches. We address the issue by converting instance masks in existing datasets into polygons to mimic the sketches used at test time. As a result, Control-GPT greatly boosts the controllability of image generation. It establishes a new state-of-art on the spatial arrangement and object positioning generation and enhances users' control of object positions, sizes, etc., nearly doubling the accuracy of prior models. Our work, as a first attempt, shows the potential for employing LLMs to enhance the performance in computer vision tasks.

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to assist them in their work poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structural design, incurring high learning costs and it is not conducive to the iterative updating of prompts, especially for non-AI experts. Inspired by structured reusable programming languages, we propose LangGPT, a structural prompt design framework. Furthermore, we introduce Minstrel, a multi-generative agent system with reflection to automate the generation of structural prompts. Experiments and the case study illustrate that structural prompts generated by Minstrel or written manually significantly enhance the performance of LLMs. Furthermore, we analyze the ease of use of structural prompts through a user survey in our online community.

This paper presents a pioneering methodology, termed StructTuning, to efficiently transform foundation Large Language Models (LLMs) into domain specialists. It significantly minimizes the training corpus requirement to a mere 0.3% while achieving an impressive 50% of traditional knowledge injection performance. Our method is inspired by the educational processes for human students, particularly how structured domain knowledge from textbooks is absorbed and then applied to tackle real-world challenges through specific exercises. Based on this, we propose a novel two-stage knowledge injection strategy: Structure-aware Continual Pre-Training (SCPT) and Structure-aware Supervised Fine-Tuning (SSFT). In the SCPT phase, we organize the training data into an auto-generated taxonomy of domain knowledge, enabling LLMs to effectively memorize textual segments linked to specific expertise within the taxonomy's architecture. Subsequently, in the SSFT phase, we explicitly prompt models to reveal the underlying knowledge structure in their outputs, leveraging this structured domain insight to address practical problems adeptly. Our ultimate method has undergone extensive evaluations across model architectures and scales, using closed-book question-answering tasks on LongBench and MMedBench datasets. Remarkably, our method matches 50% of the improvement displayed by the state-of-the-art MMedLM2 on MMedBench, but with only 0.3% quantity of the training corpus. This breakthrough showcases the potential to scale up our StructTuning for stronger domain-specific LLMs. Code will be made public soon.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

A deep generative model such as a GAN learns to model a rich set of semantic and physical rules about the target distribution, but up to now, it has been obscure how such rules are encoded in the network, or how a rule could be changed. In this paper, we introduce a new problem setting: manipulation of specific rules encoded by a deep generative model. To address the problem, we propose a formulation in which the desired rule is changed by manipulating a layer of a deep network as a linear associative memory. We derive an algorithm for modifying one entry of the associative memory, and we demonstrate that several interesting structural rules can be located and modified within the layers of state-of-the-art generative models. We present a user interface to enable users to interactively change the rules of a generative model to achieve desired effects, and we show several proof-of-concept applications. Finally, results on multiple datasets demonstrate the advantage of our method against standard fine-tuning methods and edit transfer algorithms.

3D object generation has undergone significant advancements, yielding high-quality results. However, fall short of achieving precise user control, often yielding results that do not align with user expectations, thus limiting their applicability. User-envisioning 3D object generation faces significant challenges in realizing its concepts using current generative models due to limited interaction capabilities. Existing methods mainly offer two approaches: (i) interpreting textual instructions with constrained controllability, or (ii) reconstructing 3D objects from 2D images. Both of them limit customization to the confines of the 2D reference and potentially introduce undesirable artifacts during the 3D lifting process, restricting the scope for direct and versatile 3D modifications. In this work, we introduce Interactive3D, an innovative framework for interactive 3D generation that grants users precise control over the generative process through extensive 3D interaction capabilities. Interactive3D is constructed in two cascading stages, utilizing distinct 3D representations. The first stage employs Gaussian Splatting for direct user interaction, allowing modifications and guidance of the generative direction at any intermediate step through (i) Adding and Removing components, (ii) Deformable and Rigid Dragging, (iii) Geometric Transformations, and (iv) Semantic Editing. Subsequently, the Gaussian splats are transformed into InstantNGP. We introduce a novel (v) Interactive Hash Refinement module to further add details and extract the geometry in the second stage. Our experiments demonstrate that Interactive3D markedly improves the controllability and quality of 3D generation. Our project webpage is available at https://interactive-3d.github.io/.

We introduce Seed-Music, a suite of music generation systems capable of producing high-quality music with fine-grained style control. Our unified framework leverages both auto-regressive language modeling and diffusion approaches to support two key music creation workflows: controlled music generation and post-production editing. For controlled music generation, our system enables vocal music generation with performance controls from multi-modal inputs, including style descriptions, audio references, musical scores, and voice prompts. For post-production editing, it offers interactive tools for editing lyrics and vocal melodies directly in the generated audio. We encourage readers to listen to demo audio examples at https://team.doubao.com/seed-music .

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely on complex, hand-crafted priors and modular architectures to separately model atom types, atomic positions, and lattice parameters. These methods often require customized diffusion processes and conditional denoising, which can introduce additional model complexities and inconsistencies. Here we introduce DiffCrysGen, a fully data-driven, score-based diffusion model that jointly learns the distribution of all structural components in crystalline materials. With crystal structure representation as unified 2D matrices, DiffCrysGen bypasses the need for task-specific priors or decoupled modules, enabling end-to-end generation of atom types, fractional coordinates, and lattice parameters within a single framework. Our model learns crystallographic symmetry and chemical validity directly from large-scale datasets, allowing it to scale to complex materials discovery tasks. As a demonstration, we applied DiffCrysGen to the design of rare-earth-free magnetic materials with high saturation magnetization, showing its effectiveness in generating stable, diverse, and property-aligned candidates for sustainable magnet applications.

Controllable text generation (CTG) aims to generate text with desired attributes, and decoding-time-based methods have shown promising performance on this task. However, in this paper, we identify the phenomenon of Attribute Collapse for the first time. It causes the fluency of generated text to rapidly decrease when the control strength exceeds a critical value, rendering the text completely unusable. This limitation hinders the effectiveness of decoding methods in achieving high levels of controllability. To address this problem, we propose a novel lightweight decoding framework named Air-Decoding. Its main idea is reconstructing the attribute distributions to balance the weights between attribute words and non-attribute words to generate more fluent text. Specifically, we train prefixes by prefix-tuning to obtain attribute distributions. Then we design a novel attribute distribution reconstruction method to balance the obtained distributions and use the reconstructed distributions to guide language models for generation, effectively avoiding the issue of Attribute Collapse. Experiments on multiple CTG tasks prove that our method achieves a new state-of-the-art control performance.

While large-scale language models (LMs) are able to imitate the distribution of natural language well enough to generate realistic text, it is difficult to control which regions of the distribution they generate. This is especially problematic because datasets used for training large LMs usually contain significant toxicity, hate, bias, and negativity. We propose GeDi as an efficient method for using smaller LMs as generative discriminators to guide generation from large LMs to make them safer and more controllable. GeDi guides generation at each step by computing classification probabilities for all possible next tokens via Bayes rule by normalizing over two class-conditional distributions; one conditioned on the desired attribute, or control code, and another conditioned on the undesired attribute, or anti control code. We find that GeDi gives stronger controllability than the state of the art method while also achieving generation speeds more than 30 times faster. Additionally, training GeDi on only four topics allows us to controllably generate new topics zero-shot from just a keyword, unlocking a new capability that previous controllable generation methods do not have. Lastly, we show that GeDi can make GPT-2 (1.5B parameters) significantly less toxic without sacrificing linguistic quality, making it by far the most practical existing method for detoxifying large language models while maintaining a fast generation speed.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Recent large-scale generative models learned on big data are capable of synthesizing incredible images yet suffer from limited controllability. This work offers a new generation paradigm that allows flexible control of the output image, such as spatial layout and palette, while maintaining the synthesis quality and model creativity. With compositionality as the core idea, we first decompose an image into representative factors, and then train a diffusion model with all these factors as the conditions to recompose the input. At the inference stage, the rich intermediate representations work as composable elements, leading to a huge design space (i.e., exponentially proportional to the number of decomposed factors) for customizable content creation. It is noteworthy that our approach, which we call Composer, supports various levels of conditions, such as text description as the global information, depth map and sketch as the local guidance, color histogram for low-level details, etc. Besides improving controllability, we confirm that Composer serves as a general framework and facilitates a wide range of classical generative tasks without retraining. Code and models will be made available.

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are ill-suited for modeling the topological properties of graphs since learning to denoise the noisy samples does not explicitly learn the graph structures to be generated. To tackle this limitation, we propose a generative framework that models the topology of graphs by explicitly learning the final graph structures of the diffusion process. Specifically, we design the generative process as a mixture of endpoint-conditioned diffusion processes which is driven toward the predicted graph that results in rapid convergence. We further introduce a simple parameterization of the mixture process and develop an objective for learning the final graph structure, which enables maximum likelihood training. Through extensive experimental validation on general graph and 2D/3D molecule generation tasks, we show that our method outperforms previous generative models, generating graphs with correct topology with both continuous (e.g. 3D coordinates) and discrete (e.g. atom types) features. Our code is available at https://github.com/harryjo97/GruM.

One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present opportunities to enhance generative design to directly optimize expensive high-fidelity oracles and provide actionable insights to domain experts. Here, we propose Beam Enumeration to exhaustively enumerate the most probable sub-sequences from language-based molecular generative models and show that molecular substructures can be extracted. When coupled with reinforcement learning, extracted substructures become meaningful, providing a source of explainability and improving sample efficiency through self-conditioned generation. Beam Enumeration is generally applicable to any language-based molecular generative model and notably further improves the performance of the recently reported Augmented Memory algorithm, which achieved the new state-of-the-art on the Practical Molecular Optimization benchmark for sample efficiency. The combined algorithm generates more high reward molecules and faster, given a fixed oracle budget. Beam Enumeration shows that improvements to explainability and sample efficiency for molecular design can be made synergistic.

This paper investigates controllable generation for large language models (LLMs) with prompt-based control, focusing on Lexically Constrained Generation (LCG). We systematically evaluate the performance of LLMs on satisfying lexical constraints with prompt-based control, as well as their efficacy in downstream applications. We conclude that LLMs face significant challenges in consistently satisfying lexical constraints with prompt-based control. We identified three key limitations of LLMs for LCG, including (1) position bias, where LLMs tend to satisfy constraints that appear in specific positions within the input; (2) low responsiveness to decoding parameters, which render minimal impact on control of LLMs; and (3) struggle with handling the inherent complexity of certain constraints (e.g., compound words). To address these issues, we introduce a Divide and Conquer Generation strategy, effective for both white-box and black-box LLMs, to enhance LLMs performance in LCG tasks, which demonstrates over 90% improvement on success rate in the most challenging LCG task. Our analysis provides valuable insights into the performance of LLMs in LCG with prompt-based control, and our proposed strategy offers a pathway to more sophisticated and customized text generation applications.

In 3D modeling, designers often use an existing 3D model as a reference to create new ones. This practice has inspired the development of Phidias, a novel generative model that uses diffusion for reference-augmented 3D generation. Given an image, our method leverages a retrieved or user-provided 3D reference model to guide the generation process, thereby enhancing the generation quality, generalization ability, and controllability. Our model integrates three key components: 1) meta-ControlNet that dynamically modulates the conditioning strength, 2) dynamic reference routing that mitigates misalignment between the input image and 3D reference, and 3) self-reference augmentations that enable self-supervised training with a progressive curriculum. Collectively, these designs result in a clear improvement over existing methods. Phidias establishes a unified framework for 3D generation using text, image, and 3D conditions with versatile applications.

Large Language Models (LLMs) rely on instruction samples for alignment, but creating these datasets poses challenges, particularly in expert-dependent tasks like coding, which can be cost-prohibitive. One approach to mitigate these challenges is synthesizing data using another LLM. In this paper, we introduce a scalable method for generating synthetic instructions to enhance the code generation capability of LLMs. The proposed algorithm, Genetic-Instruct, mimics evolutionary processes, utilizing self-instruction to create numerous synthetic samples from a limited number of seeds. Genetic-Instruct is designed for efficient scaling of the generation process. Fine-tuning multiple coding LLMs with the synthetic samples demonstrates a significant improvement in their code generation accuracy compared to the baselines.

Existing 3D scene generation methods often struggle to model the complex logical dependencies and physical constraints between objects, limiting their ability to adapt to dynamic and realistic environments. We propose CausalStruct, a novel framework that embeds causal reasoning into 3D scene generation. Utilizing large language models (LLMs), We construct causal graphs where nodes represent objects and attributes, while edges encode causal dependencies and physical constraints. CausalStruct iteratively refines the scene layout by enforcing causal order to determine the placement order of objects and applies causal intervention to adjust the spatial configuration according to physics-driven constraints, ensuring consistency with textual descriptions and real-world dynamics. The refined scene causal graph informs subsequent optimization steps, employing a Proportional-Integral-Derivative(PID) controller to iteratively tune object scales and positions. Our method uses text or images to guide object placement and layout in 3D scenes, with 3D Gaussian Splatting and Score Distillation Sampling improving shape accuracy and rendering stability. Extensive experiments show that CausalStruct generates 3D scenes with enhanced logical coherence, realistic spatial interactions, and robust adaptability.

Generating music with deep neural networks has been an area of active research in recent years. While the quality of generated samples has been steadily increasing, most methods are only able to exert minimal control over the generated sequence, if any. We propose the self-supervised description-to-sequence task, which allows for fine-grained controllable generation on a global level. We do so by extracting high-level features about the target sequence and learning the conditional distribution of sequences given the corresponding high-level description in a sequence-to-sequence modelling setup. We train FIGARO (FIne-grained music Generation via Attention-based, RObust control) by applying description-to-sequence modelling to symbolic music. By combining learned high level features with domain knowledge, which acts as a strong inductive bias, the model achieves state-of-the-art results in controllable symbolic music generation and generalizes well beyond the training distribution.

With the advent of neural language models, the performance of code generation has been significantly boosted. However, the problem of repetitions during the generation process continues to linger. Previous work has primarily focused on content repetition, which is merely a fraction of the broader repetition problem in code generation. A more prevalent and challenging problem is structural repetition. In structural repetition, the repeated code appears in various patterns but possesses a fixed structure, which can be inherently reflected in grammar. In this paper, we formally define structural repetition and propose an efficient decoding approach called RPG, which stands for Repetition Penalization based on Grammar, to alleviate the repetition problems in code generation for LLMs. Specifically, RPG first leverages grammar rules to identify repetition problems during code generation, and then strategically decays the likelihood of critical tokens that contribute to repetitions, thereby mitigating them in code generation. To facilitate this study, we construct a new dataset CodeRepetEval to comprehensively evaluate approaches for mitigating the repetition problems in code generation. Extensive experimental results demonstrate that RPG substantially outperforms the best-performing baselines on CodeRepetEval dataset as well as HumanEval and MBPP benchmarks, effectively reducing repetitions and enhancing the quality of generated code.

How much private information do text embeddings reveal about the original text? We investigate the problem of embedding inversion, reconstructing the full text represented in dense text embeddings. We frame the problem as controlled generation: generating text that, when reembedded, is close to a fixed point in latent space. We find that although a na\"ive model conditioned on the embedding performs poorly, a multi-step method that iteratively corrects and re-embeds text is able to recover 92% of 32-token text inputs exactly. We train our model to decode text embeddings from two state-of-the-art embedding models, and also show that our model can recover important personal information (full names) from a dataset of clinical notes. Our code is available on Github: https://github.com/jxmorris12/vec2text{github.com/jxmorris12/vec2text}.

The pursuit of efficient and controllable high-quality content generation remains a central challenge in artificial intelligence-generated content (AIGC). While one-step generators, enabled by diffusion distillation techniques, offer excellent generation quality and computational efficiency, adapting them to new control conditions--such as structural constraints, semantic guidelines, or external inputs--poses a significant challenge. Conventional approaches often necessitate computationally expensive modifications to the base model and subsequent diffusion distillation. This paper introduces Noise Consistency Training (NCT), a novel and lightweight approach to directly integrate new control signals into pre-trained one-step generators without requiring access to original training images or retraining the base diffusion model. NCT operates by introducing an adapter module and employs a noise consistency loss in the noise space of the generator. This loss aligns the adapted model's generation behavior across noises that are conditionally dependent to varying degrees, implicitly guiding it to adhere to the new control. Theoretically, this training objective can be understood as minimizing the distributional distance between the adapted generator and the conditional distribution induced by the new conditions. NCT is modular, data-efficient, and easily deployable, relying only on the pre-trained one-step generator and a control signal model. Extensive experiments demonstrate that NCT achieves state-of-the-art controllable generation in a single forward pass, surpassing existing multi-step and distillation-based methods in both generation quality and computational efficiency. Code is available at https://github.com/Luo-Yihong/NCT

Despite rapid advancements in the capabilities of generative models, pretrained text-to-image models still struggle in capturing the semantics conveyed by complex prompts that compound multiple objects and instance-level attributes. Consequently, we are witnessing growing interests in integrating additional structural constraints, typically in the form of coarse bounding boxes, to better guide the generation process in such challenging cases. In this work, we take the idea of structural guidance a step further by making the observation that contemporary image generation models can directly provide a plausible fine-grained structural initialization. We propose a technique that couples this image-based structural guidance with LLM-based instance-level instructions, yielding output images that adhere to all parts of the text prompt, including object counts, instance-level attributes, and spatial relations between instances.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based therapeutics and materials. Structure-based protein design aims to find structures that are designable (can be realized by a protein sequence), novel (have dissimilar geometry from natural proteins), and diverse (span a wide range of geometries). While advances in protein structure prediction have made it possible to predict structures of novel protein sequences, the combinatorially large space of sequences and structures limits the practicality of search-based methods. Generative models provide a compelling alternative, by implicitly learning the low-dimensional structure of complex data distributions. Here, we leverage recent advances in denoising diffusion probabilistic models and equivariant neural networks to develop Genie, a generative model of protein structures that performs discrete-time diffusion using a cloud of oriented reference frames in 3D space. Through in silico evaluations, we demonstrate that Genie generates protein backbones that are more designable, novel, and diverse than existing models. This indicates that Genie is capturing key aspects of the distribution of protein structure space and facilitates protein design with high success rates. Code for generating new proteins and training new versions of Genie is available at https://github.com/aqlaboratory/genie.

Recently, multi-aspect controllable text generation that controls the generated text in multiple aspects (e.g., sentiment, topic, and keywords) has attracted increasing attention. Although methods based on parameter efficient tuning like prefix-tuning could achieve multi-aspect controlling in a plug-and-play way, the mutual interference of multiple prefixes leads to significant degeneration of constraints and limits their extensibility to training-time unseen aspect combinations. In this work, we provide a theoretical lower bound for the interference and empirically found that the interference grows with the number of layers where prefixes are inserted. Based on these analyses, we propose using trainable gates to normalize the intervention of prefixes to restrain the growing interference. As a result, controlling training-time unseen combinations of aspects can be realized by simply concatenating corresponding plugins such that new constraints can be extended at a lower cost. In addition, we propose a unified way to process both categorical and free-form constraints. Experiments on text generation and machine translation demonstrate the superiority of our approach over baselines on constraint accuracy, text quality, and extensibility.

Controlling the format of outputs generated by large language models (LLMs) is a critical functionality in various applications. Current methods typically employ constrained decoding with rule-based automata or fine-tuning with manually crafted format instructions, both of which struggle with open-domain format requirements. To address this limitation, we introduce a novel framework for controlled generation in LLMs, leveraging user-provided, one-shot QA pairs. This study investigates LLMs' capabilities to follow open-domain, one-shot constraints and replicate the format of the example answers. We observe that this is a non-trivial problem for current LLMs. We also develop a dataset collection methodology for supervised fine-tuning that enhances the open-domain format control of LLMs without degrading output quality, as well as a benchmark on which we evaluate both the helpfulness and format correctness of LLM outputs. The resulting datasets, named OIFC-SFT, along with the related code, will be made publicly available at https://github.com/cofe-ai/OIFC.

Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we present a novel generative model, BindGPT which uses a conceptually simple but powerful approach to create 3D molecules within the protein's binding site. Our model produces molecular graphs and conformations jointly, eliminating the need for an extra graph reconstruction step. We pretrain BindGPT on a large-scale dataset and fine-tune it with reinforcement learning using scores from external simulation software. We demonstrate how a single pretrained language model can serve at the same time as a 3D molecular generative model, conformer generator conditioned on the molecular graph, and a pocket-conditioned 3D molecule generator. Notably, the model does not make any representational equivariance assumptions about the domain of generation. We show how such simple conceptual approach combined with pretraining and scaling can perform on par or better than the current best specialized diffusion models, language models, and graph neural networks while being two orders of magnitude cheaper to sample.

Designing enzyme backbones with substrate-specific functionality is a critical challenge in computational protein engineering. Current generative models excel in protein design but face limitations in binding data, substrate-specific control, and flexibility for de novo enzyme backbone generation. To address this, we introduce EnzyBind, a dataset with 11,100 experimentally validated enzyme-substrate pairs specifically curated from PDBbind. Building on this, we propose EnzyControl, a method that enables functional and substrate-specific control in enzyme backbone generation. Our approach generates enzyme backbones conditioned on MSA-annotated catalytic sites and their corresponding substrates, which are automatically extracted from curated enzyme-substrate data. At the core of EnzyControl is EnzyAdapter, a lightweight, modular component integrated into a pretrained motif-scaffolding model, allowing it to become substrate-aware. A two-stage training paradigm further refines the model's ability to generate accurate and functional enzyme structures. Experiments show that our EnzyControl achieves the best performance across structural and functional metrics on EnzyBind and EnzyBench benchmarks, with particularly notable improvements of 13\% in designability and 13\% in catalytic efficiency compared to the baseline models. The code is released at https://github.com/Vecteur-libre/EnzyControl.

In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and capturing both global and local graph structures simultaneously. To overcome these issues, we introduce a method that generates a graph by progressively expanding a single node to a target graph. In each step, nodes and edges are added in a localized manner through denoising diffusion, building first the global structure, and then refining the local details. The local generation avoids modeling the entire joint distribution over all node pairs, achieving substantial computational savings with subquadratic runtime relative to node count while maintaining high expressivity through multiscale generation. Our experiments show that our model achieves state-of-the-art performance on well-established benchmark datasets while successfully scaling to graphs with at least 5000 nodes. Our method is also the first to successfully extrapolate to graphs outside of the training distribution, showcasing a much better generalization capability over existing methods.

Prior work on controllable text generation has focused on learning how to control language models through trainable decoding, smart-prompt design, or fine-tuning based on a desired objective. We hypothesize that the information needed to steer the model to generate a target sentence is already encoded within the model. Accordingly, we explore a different approach altogether: extracting latent vectors directly from pretrained language model decoders without fine-tuning. Experiments show that there exist steering vectors, which, when added to the hidden states of the language model, generate a target sentence nearly perfectly (> 99 BLEU) for English sentences from a variety of domains. We show that vector arithmetic can be used for unsupervised sentiment transfer on the Yelp sentiment benchmark, with performance comparable to models tailored to this task. We find that distances between steering vectors reflect sentence similarity when evaluated on a textual similarity benchmark (STS-B), outperforming pooled hidden states of models. Finally, we present an analysis of the intrinsic properties of the steering vectors. Taken together, our results suggest that frozen LMs can be effectively controlled through their latent steering space.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Heterogeneous tabular data poses unique challenges in generative modelling due to its fundamentally different underlying data structure compared to homogeneous modalities, such as images and text. Although previous research has sought to adapt the successes of generative modelling in homogeneous modalities to the tabular domain, defining an effective generator for tabular data remains an open problem. One major reason is that the evaluation criteria inherited from other modalities often fail to adequately assess whether tabular generative models effectively capture or utilise the unique structural information encoded in tabular data. In this paper, we carefully examine the limitations of the prevailing evaluation framework and introduce TabStruct, a novel evaluation benchmark that positions structural fidelity as a core evaluation dimension. Specifically, TabStruct evaluates the alignment of causal structures in real and synthetic data, providing a direct measure of how effectively tabular generative models learn the structure of tabular data. Through extensive experiments using generators from eight categories on seven datasets with expert-validated causal graphical structures, we show that structural fidelity offers a task-independent, domain-agnostic evaluation dimension. Our findings highlight the importance of tabular data structure and offer practical guidance for developing more effective and robust tabular generative models. Code is available at https://github.com/SilenceX12138/TabStruct.

Despite significant progress of generative models in the natural sciences, their controllability remains challenging. One fundamentally missing aspect of molecular or protein generative models is an inductive bias that can reflect continuous properties of interest. To that end, we propose the Regression Transformer (RT), a novel method that abstracts regression as a conditional sequence modeling problem. This introduces a new paradigm of multitask language models which seamlessly bridge sequence regression and conditional sequence generation. We thoroughly demonstrate that, despite using a nominal-scale training objective, the RT matches or surpasses the performance of conventional regression models in property prediction tasks of small molecules, proteins and chemical reactions. Critically, priming the same model with continuous properties yields a highly competitive conditional generative model that outperforms specialized approaches in a substructure-constrained, property-driven molecule generation benchmark. Our dichotomous approach is facilitated by a novel, alternating training scheme that enables the model to decorate seed sequences by desired properties, e.g., to optimize reaction yield. In sum, the RT is the first report of a multitask model that concurrently excels at predictive and generative tasks in biochemistry. This finds particular application in property-driven, local exploration of the chemical or protein space and could pave the road toward foundation models in material design. The code to reproduce all experiments of the paper is available at: https://github.com/IBM/regression-transformer

This paper introduces a generative model designed for multimodal control over text-to-image foundation generative AI models such as Stable Diffusion, specifically tailored for engineering design synthesis. Our model proposes parametric, image, and text control modalities to enhance design precision and diversity. Firstly, it handles both partial and complete parametric inputs using a diffusion model that acts as a design autocomplete co-pilot, coupled with a parametric encoder to process the information. Secondly, the model utilizes assembly graphs to systematically assemble input component images, which are then processed through a component encoder to capture essential visual data. Thirdly, textual descriptions are integrated via CLIP encoding, ensuring a comprehensive interpretation of design intent. These diverse inputs are synthesized through a multimodal fusion technique, creating a joint embedding that acts as the input to a module inspired by ControlNet. This integration allows the model to apply robust multimodal control to foundation models, facilitating the generation of complex and precise engineering designs. This approach broadens the capabilities of AI-driven design tools and demonstrates significant advancements in precise control based on diverse data modalities for enhanced design generation.

Text-to-music generation models are now capable of generating high-quality music audio in broad styles. However, text control is primarily suitable for the manipulation of global musical attributes like genre, mood, and tempo, and is less suitable for precise control over time-varying attributes such as the positions of beats in time or the changing dynamics of the music. We propose Music ControlNet, a diffusion-based music generation model that offers multiple precise, time-varying controls over generated audio. To imbue text-to-music models with time-varying control, we propose an approach analogous to pixel-wise control of the image-domain ControlNet method. Specifically, we extract controls from training audio yielding paired data, and fine-tune a diffusion-based conditional generative model over audio spectrograms given melody, dynamics, and rhythm controls. While the image-domain Uni-ControlNet method already allows generation with any subset of controls, we devise a new strategy to allow creators to input controls that are only partially specified in time. We evaluate both on controls extracted from audio and controls we expect creators to provide, demonstrating that we can generate realistic music that corresponds to control inputs in both settings. While few comparable music generation models exist, we benchmark against MusicGen, a recent model that accepts text and melody input, and show that our model generates music that is 49% more faithful to input melodies despite having 35x fewer parameters, training on 11x less data, and enabling two additional forms of time-varying control. Sound examples can be found at https://MusicControlNet.github.io/web/.

Attaining a high degree of user controllability in visual generation often requires intricate, fine-grained inputs like layouts. However, such inputs impose a substantial burden on users when compared to simple text inputs. To address the issue, we study how Large Language Models (LLMs) can serve as visual planners by generating layouts from text conditions, and thus collaborate with visual generative models. We propose LayoutGPT, a method to compose in-context visual demonstrations in style sheet language to enhance the visual planning skills of LLMs. LayoutGPT can generate plausible layouts in multiple domains, ranging from 2D images to 3D indoor scenes. LayoutGPT also shows superior performance in converting challenging language concepts like numerical and spatial relations to layout arrangements for faithful text-to-image generation. When combined with a downstream image generation model, LayoutGPT outperforms text-to-image models/systems by 20-40% and achieves comparable performance as human users in designing visual layouts for numerical and spatial correctness. Lastly, LayoutGPT achieves comparable performance to supervised methods in 3D indoor scene synthesis, demonstrating its effectiveness and potential in multiple visual domains.

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

We propose an end-to-end variational generative model for scene layout synthesis conditioned on scene graphs. Unlike unconditional scene layout generation, we use scene graphs as an abstract but general representation to guide the synthesis of diverse scene layouts that satisfy relationships included in the scene graph. This gives rise to more flexible control over the synthesis process, allowing various forms of inputs such as scene layouts extracted from sentences or inferred from a single color image. Using our conditional layout synthesizer, we can generate various layouts that share the same structure of the input example. In addition to this conditional generation design, we also integrate a differentiable rendering module that enables layout refinement using only 2D projections of the scene. Given a depth and a semantics map, the differentiable rendering module enables optimizing over the synthesized layout to fit the given input in an analysis-by-synthesis fashion. Experiments suggest that our model achieves higher accuracy and diversity in conditional scene synthesis and allows exemplar-based scene generation from various input forms.

The growing use of generative models in daily life calls for efficient mechanisms to control their generation, to e.g., produce safe content or provide users with tools to explore style changes. Ideally, such mechanisms should require low volume of unpaired data (i.e., without explicit preference), and should be cheap, both at train and inference time, while preserving output quality. Recent research has shown that such mechanisms can be obtained by intervening exclusively on model activations, with the goal of correcting distributional differences between activations seen when using prompts from a source vs. a target set (e.g., toxic and non-toxic sentences). While cheap, these fast methods are inherently crude: their maps are tuned locally, not accounting for their impact on downstream layers, resulting in interventions that cause unintended shifts when used out-of-sample. We propose in this work linear end-to-end activation steering (LinEAS), an approach trained with a global loss that accounts simultaneously for all layer-wise distributional shifts. In addition to being more robust, the loss used to train LinEAS can be regularized with sparsifying norms, which can automatically carry out neuron selection. LinEAS only requires a handful of unpaired samples to be effective, and beats similar baselines on toxicity mitigation in language models, becoming competitive with oracle-dependent methods that have access to strong supervision. LinEAS is modality-agnostic and we empirically find that it outperforms existing activation steering methods at mitigating and including new concepts at the output of single-step text-to-image generation models.

As Large Language Models (LLMs) are deployed more widely, customization with respect to vocabulary, style and character becomes more important. In this work we introduce model arithmetic, a novel inference framework for composing and biasing LLMs without the need for model (re)training or highly specific datasets. In addition, the framework allows for more precise control of generated text than direct prompting and prior controlled text generation (CTG) techniques. Using model arithmetic, we can express prior CTG techniques as simple formulas and naturally extend them to new and more effective formulations. Further, we show that speculative sampling, a technique for efficient LLM sampling, extends to our setting. This enables highly efficient text generation with multiple composed models with only marginal overhead over a single model. Our empirical evaluation demonstrates that model arithmetic allows fine-grained control of generated text while outperforming state-of-the-art on the task of toxicity reduction.

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

Despite their impressive performance, large language models (LMs) still struggle with reliably generating complex output structures when not finetuned to follow the required output format exactly. To address this issue, grammar-constrained decoding (GCD) can be used to control the generation of LMs, guaranteeing that the output follows a given structure. Most existing GCD methods are, however, limited to specific tasks, such as parsing or code generation. In this work, we demonstrate that formal grammars can describe the output space for a much wider range of tasks and argue that GCD can serve as a unified framework for structured NLP tasks in general. For increased flexibility, we introduce input-dependent grammars, which allow the grammar to depend on the input and thus enable the generation of different output structures for different inputs. We then empirically demonstrate the power and flexibility of GCD-enhanced LMs on (1) information extraction, (2) entity disambiguation, and (3) constituency parsing. Our results indicate that grammar-constrained LMs substantially outperform unconstrained LMs or even beat task-specific finetuned models. Grammar constraints thus hold great promise for harnessing off-the-shelf LMs for a wide range of structured NLP tasks, especially where training data is scarce or finetuning is expensive. Code and data: https://github.com/epfl-dlab/GCD.

Image diffusion models have been utilized in various tasks, such as text-to-image generation and controllable image synthesis. Recent research has introduced tuning methods that make subtle adjustments to the original models, yielding promising results in specific adaptations of foundational generative diffusion models. Rather than modifying the main backbone of the diffusion model, we delve into the role of skip connection in U-Net and reveal that hierarchical features aggregating long-distance information across encoder and decoder make a significant impact on the content and quality of image generation. Based on the observation, we propose an efficient generative tuning framework, dubbed SCEdit, which integrates and edits Skip Connection using a lightweight tuning module named SC-Tuner. Furthermore, the proposed framework allows for straightforward extension to controllable image synthesis by injecting different conditions with Controllable SC-Tuner, simplifying and unifying the network design for multi-condition inputs. Our SCEdit substantially reduces training parameters, memory usage, and computational expense due to its lightweight tuners, with backward propagation only passing to the decoder blocks. Extensive experiments conducted on text-to-image generation and controllable image synthesis tasks demonstrate the superiority of our method in terms of efficiency and performance. Project page: https://scedit.github.io/

Large Language Models (LLMs) have demonstrated a powerful ability for text generation. However, achieving optimal results with a given prompt or instruction can be challenging, especially for billion-sized models. Additionally, undesired behaviors such as toxicity or hallucinations can manifest. While much larger models (e.g., ChatGPT) may demonstrate strength in mitigating these issues, there is still no guarantee of complete prevention. In this work, we propose formalizing text generation as a future-constrained generation problem to minimize undesirable behaviors and enforce faithfulness to instructions. The estimation of future constraint satisfaction, accomplished using LLMs, guides the text generation process. Our extensive experiments demonstrate the effectiveness of the proposed approach across three distinct text generation tasks: keyword-constrained generation (Lin et al., 2020), toxicity reduction (Gehman et al., 2020), and factual correctness in question-answering (Gao et al., 2023).

Recently, text-to-image generation models have achieved remarkable advancements, particularly with diffusion models facilitating high-quality image synthesis from textual descriptions. However, these models often struggle with achieving precise control over pixel-level layouts, object appearances, and global styles when using text prompts alone. To mitigate this issue, previous works introduce conditional images as auxiliary inputs for image generation, enhancing control but typically necessitating specialized models tailored to different types of reference inputs. In this paper, we explore a new approach to unify controllable generation within a single framework. Specifically, we propose the unified image-instruction adapter (UNIC-Adapter) built on the Multi-Modal-Diffusion Transformer architecture, to enable flexible and controllable generation across diverse conditions without the need for multiple specialized models. Our UNIC-Adapter effectively extracts multi-modal instruction information by incorporating both conditional images and task instructions, injecting this information into the image generation process through a cross-attention mechanism enhanced by Rotary Position Embedding. Experimental results across a variety of tasks, including pixel-level spatial control, subject-driven image generation, and style-image-based image synthesis, demonstrate the effectiveness of our UNIC-Adapter in unified controllable image generation.

Controlled text perturbation is useful for evaluating and improving model generalizability. However, current techniques rely on training a model for every target perturbation, which is expensive and hard to generalize. We present Tailor, a semantically-controlled text generation system. Tailor builds on a pretrained seq2seq model and produces textual outputs conditioned on control codes derived from semantic representations. We craft a set of operations to modify the control codes, which in turn steer generation towards targeted attributes. These operations can be further composed into higher-level ones, allowing for flexible perturbation strategies. We demonstrate the effectiveness of these perturbations in multiple applications. First, we use Tailor to automatically create high-quality contrast sets for four distinct natural language processing (NLP) tasks. These contrast sets contain fewer spurious artifacts and are complementary to manually annotated ones in their lexical diversity. Second, we show that Tailor perturbations can improve model generalization through data augmentation. Perturbing just 2% of training data leads to a 5.8-point gain on an NLI challenge set measuring reliance on syntactic heuristics.

Recent advancements in implicit 3D representations and generative models have markedly propelled the field of 3D object generation forward. However, it remains a significant challenge to accurately model geometries with defined sharp features under parametric controls, which is crucial in fields like industrial design and manufacturing. To bridge this gap, we introduce a framework that employs Large Language Models (LLMs) to generate text-driven 3D shapes, manipulating 3D software via program synthesis. We present 3D-PreMise, a dataset specifically tailored for 3D parametric modeling of industrial shapes, designed to explore state-of-the-art LLMs within our proposed pipeline. Our work reveals effective generation strategies and delves into the self-correction capabilities of LLMs using a visual interface. Our work highlights both the potential and limitations of LLMs in 3D parametric modeling for industrial applications.

The field of text-to-image (T2I) generation has made significant progress in recent years, largely driven by advancements in diffusion models. Linguistic control enables effective content creation, but struggles with fine-grained control over image generation. This challenge has been explored, to a great extent, by incorporating additional user-supplied spatial conditions, such as depth maps and edge maps, into pre-trained T2I models through extra encoding. However, multi-control image synthesis still faces several challenges. Specifically, current approaches are limited in handling free combinations of diverse input control signals, overlook the complex relationships among multiple spatial conditions, and often fail to maintain semantic alignment with provided textual prompts. This can lead to suboptimal user experiences. To address these challenges, we propose AnyControl, a multi-control image synthesis framework that supports arbitrary combinations of diverse control signals. AnyControl develops a novel Multi-Control Encoder that extracts a unified multi-modal embedding to guide the generation process. This approach enables a holistic understanding of user inputs, and produces high-quality, faithful results under versatile control signals, as demonstrated by extensive quantitative and qualitative evaluations. Our project page is available in https://any-control.github.io.

Activation steering methods were shown to be effective in conditioning language model generation by additively intervening over models' intermediate representations. However, the evaluation of these techniques has so far been limited to single conditioning properties and synthetic settings. In this work, we conduct a comprehensive evaluation of various activation steering strategies, highlighting the property-dependent nature of optimal parameters to ensure a robust effect throughout generation. To address this issue, we propose Dynamic Activation Composition, an information-theoretic approach to modulate the steering intensity of one or more properties throughout generation. Our experiments on multi-property steering show that our method successfully maintains high conditioning while minimizing the impact of conditioning on generation fluency.

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

While recent generative models can produce engaging music, their utility is limited. The variation in the music is often left to chance, resulting in compositions that lack structure. Pieces extending beyond a minute can become incoherent or repetitive. This paper introduces an approach for generating structured, arbitrarily long musical pieces. Central to this approach is the creation of musical segments using a conditional generative model, with transitions between these segments. The generation of prompts that determine the high-level composition is distinct from the creation of finer, lower-level details. A large language model is then used to suggest the musical form.

Open-ended text generation with autoregressive language models (LMs) is one of the core tasks in natural language processing. However, maximization-based decoding methods (e.g., greedy/beam search) often lead to the degeneration problem, i.e., the generated text is unnatural and contains undesirable repetitions. Existing solutions to this problem either introduce randomness prone to incoherence or require a look-ahead mechanism that demands extra computational overhead. In this study, we formulate open-ended text generation from a new perspective, i.e., we view it as an exploration process within a directed graph. Thereby, we understand the phenomenon of degeneration as circular loops within the directed graph. Based on our formulation, we propose a novel decoding method -- momentum decoding -- which encourages the LM to greedily explore new nodes outside the current graph. Meanwhile, it also allows the LM to return to the existing nodes with a momentum downgraded by a pre-defined resistance function. We extensively test our approach on three benchmarks from different domains through automatic and human evaluations. The results show that momentum decoding performs comparably with the current state of the art while enjoying notably improved inference speed and computation FLOPs. Furthermore, we conduct a detailed analysis to reveal the merits and inner workings of our approach. Our codes and other related resources are publicly available at https://github.com/gmftbyGMFTBY/MomentumDecoding.

Paraphrase generation has been widely used in various downstream tasks. Most tasks benefit mainly from high quality paraphrases, namely those that are semantically similar to, yet linguistically diverse from, the original sentence. Generating high-quality paraphrases is challenging as it becomes increasingly hard to preserve meaning as linguistic diversity increases. Recent works achieve nice results by controlling specific aspects of the paraphrase, such as its syntactic tree. However, they do not allow to directly control the quality of the generated paraphrase, and suffer from low flexibility and scalability. Here we propose QCPG, a quality-guided controlled paraphrase generation model, that allows directly controlling the quality dimensions. Furthermore, we suggest a method that given a sentence, identifies points in the quality control space that are expected to yield optimal generated paraphrases. We show that our method is able to generate paraphrases which maintain the original meaning while achieving higher diversity than the uncontrolled baseline. The models, the code, and the data can be found in https://github.com/IBM/quality-controlled-paraphrase-generation.

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. Quickly generating and predicting inorganic crystal structures is important for the discovery of new materials, which can target applications such as energy or electronic devices. However, most current methods for crystal structure prediction are computationally expensive, slowing the pace of innovation. Seeding structure prediction algorithms with quality generated candidates can overcome a major bottleneck. Here, we introduce CrystaLLM, a methodology for the versatile generation of crystal structures, based on the autoregressive large language modeling (LLM) of the Crystallographic Information File (CIF) format. Trained on millions of CIF files, CrystaLLM focuses on modeling crystal structures through text. CrystaLLM can produce plausible crystal structures for a wide range of inorganic compounds unseen in training, as demonstrated by ab initio simulations. The integration with predictors of formation energy permits the use of a Monte Carlo Tree Search algorithm to improve the generation of meaningful structures. Our approach challenges conventional representations of crystals, and demonstrates the potential of LLMs for learning effective 'world models' of crystal chemistry, which will lead to accelerated discovery and innovation in materials science.

While text-to-3D and image-to-3D generation tasks have received considerable attention, one important but under-explored field between them is controllable text-to-3D generation, which we mainly focus on in this work. To address this task, 1) we introduce Multi-view ControlNet (MVControl), a novel neural network architecture designed to enhance existing pre-trained multi-view diffusion models by integrating additional input conditions, such as edge, depth, normal, and scribble maps. Our innovation lies in the introduction of a conditioning module that controls the base diffusion model using both local and global embeddings, which are computed from the input condition images and camera poses. Once trained, MVControl is able to offer 3D diffusion guidance for optimization-based 3D generation. And, 2) we propose an efficient multi-stage 3D generation pipeline that leverages the benefits of recent large reconstruction models and score distillation algorithm. Building upon our MVControl architecture, we employ a unique hybrid diffusion guidance method to direct the optimization process. In pursuit of efficiency, we adopt 3D Gaussians as our representation instead of the commonly used implicit representations. We also pioneer the use of SuGaR, a hybrid representation that binds Gaussians to mesh triangle faces. This approach alleviates the issue of poor geometry in 3D Gaussians and enables the direct sculpting of fine-grained geometry on the mesh. Extensive experiments demonstrate that our method achieves robust generalization and enables the controllable generation of high-quality 3D content.

Large-scale language models show promising text generation capabilities, but users cannot easily control particular aspects of the generated text. We release CTRL, a 1.63 billion-parameter conditional transformer language model, trained to condition on control codes that govern style, content, and task-specific behavior. Control codes were derived from structure that naturally co-occurs with raw text, preserving the advantages of unsupervised learning while providing more explicit control over text generation. These codes also allow CTRL to predict which parts of the training data are most likely given a sequence. This provides a potential method for analyzing large amounts of data via model-based source attribution. We have released multiple full-sized, pretrained versions of CTRL at https://github.com/salesforce/ctrl.

Conditional visual generation has witnessed remarkable progress with the advent of diffusion models (DMs), especially in tasks like control-to-image generation. However, challenges such as expensive computational cost, high inference latency, and difficulties of integration with large language models (LLMs) have necessitated exploring alternatives to DMs. This paper introduces ControlVAR, a novel framework that explores pixel-level controls in visual autoregressive (VAR) modeling for flexible and efficient conditional generation. In contrast to traditional conditional models that learn the conditional distribution, ControlVAR jointly models the distribution of image and pixel-level conditions during training and imposes conditional controls during testing. To enhance the joint modeling, we adopt the next-scale AR prediction paradigm and unify control and image representations. A teacher-forcing guidance strategy is proposed to further facilitate controllable generation with joint modeling. Extensive experiments demonstrate the superior efficacy and flexibility of ControlVAR across various conditional generation tasks against popular conditional DMs, \eg, ControlNet and T2I-Adaptor. Code: https://github.com/lxa9867/ControlVAR.

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool for exploring the organic chemical space in search of potentially electro-active compounds, we present "LLamol", a single novel generative transformer model based on the LLama 2 architecture, which was trained on a 13M superset of organic compounds drawn from diverse public sources. To allow for a maximum flexibility in usage and robustness in view of potentially incomplete data, we introduce "Stochastic Context Learning" as a new training procedure. We demonstrate that the resulting model adeptly handles single- and multi-conditional organic molecule generation with up to four conditions, yet more are possible. The model generates valid molecular structures in SMILES notation while flexibly incorporating three numerical and/or one token sequence into the generative process, just as requested. The generated compounds are very satisfactory in all scenarios tested. In detail, we showcase the model's capability to utilize token sequences for conditioning, either individually or in combination with numerical properties, making LLamol a potent tool for de novo molecule design, easily expandable with new properties.

Differentially private (DP) synthetic data generation is a promising technique for utilizing private datasets that otherwise cannot be exposed for model training or other analytics. While much research literature has focused on generating private unstructured text and image data, in enterprise settings, structured data (e.g., tabular) is more common, often including natural language fields or components. Existing synthetic data evaluation techniques (e.g., FID) struggle to capture the structural properties and correlations of such datasets. In this work, we propose Struct-Bench, a framework and benchmark for evaluating synthetic datasets derived from structured datasets that contain natural language data. The Struct-Bench framework requires users to provide a representation of their dataset structure as a Context-Free Grammar (CFG). Our benchmark comprises 5 real-world and 2 synthetically generated datasets, each annotated with CFGs. We show that these datasets demonstrably present a great challenge even for state-of-the-art DP synthetic data generation methods. Struct-Bench also includes reference implementations of different metrics and a leaderboard, thereby providing researchers a standardized evaluation platform to benchmark and investigate privacy-preserving synthetic data generation methods. Further, we also present a case study showing how to use Struct-Bench to improve the synthetic data quality of Private Evolution (PE) on structured data. The benchmark and the leaderboard have been publicly made available at https://struct-bench.github.io.

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models.

Molecule generation with desired properties has grown immensely in popularity by disruptively changing the way scientists design molecular structures and providing support for chemical and materials design. However, despite the promising outcome, previous machine learning-based deep generative models suffer from a reliance on complex, task-specific fine-tuning, limited dimensional latent spaces, or the quality of expert rules. In this work, we propose MolGen, a pre-trained molecular language model that effectively learns and shares knowledge across multiple generation tasks and domains. Specifically, we pre-train MolGen with the chemical language SELFIES on more than 100 million unlabelled molecules. We further propose multi-task molecular prefix tuning across several molecular generation tasks and different molecular domains (synthetic & natural products) with a self-feedback mechanism. Extensive experiments show that MolGen can obtain superior performances on well-known molecular generation benchmark datasets. The further analysis illustrates that MolGen can accurately capture the distribution of molecules, implicitly learn their structural characteristics, and efficiently explore the chemical space with the guidance of multi-task molecular prefix tuning. Codes, datasets, and the pre-trained model will be available in https://github.com/zjunlp/MolGen.

P. Kabamba developed generation theory as a tool for studying self-reproducing systems. We provide an alternative definition of a generation system and give a complete solution to the problem of finding optimal seeds for a finite self-replicating system. We also exhibit examples illustrating a connection between self-replication and fixed-point theory.

Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervised predictive models in the downstream tasks. While there are plenty of generative models, it is unclear how to compare and rank them. In this work, we introduce a benchmarking platform called Molecular Sets (MOSES) to standardize training and comparison of molecular generative models. MOSES provides a training and testing datasets, and a set of metrics to evaluate the quality and diversity of generated structures. We have implemented and compared several molecular generation models and suggest to use our results as reference points for further advancements in generative chemistry research. The platform and source code are available at https://github.com/molecularsets/moses.

The applications of LLM Agents are becoming increasingly complex and diverse, leading to a high demand for structured outputs that can be parsed into code, structured function calls, and embodied agent commands. These developments bring significant demands for structured generation in LLM inference. Context-free grammar is a flexible approach to enable structured generation via constrained decoding. However, executing context-free grammar requires going through several stack states over all tokens in vocabulary during runtime, bringing non-negligible overhead for structured generation. In this paper, we propose XGrammar, a flexible and efficient structure generation engine for large language models. XGrammar accelerates context-free grammar execution by dividing the vocabulary into context-independent tokens that can be prechecked and context-dependent tokens that need to be interpreted during runtime. We further build transformations to expand the grammar context and reduce the number of context-independent tokens. Additionally, we build an efficient persistent stack to accelerate the context-dependent token checks. Finally, we co-design the grammar engine with LLM inference engine to overlap grammar computation with GPU executions. Evaluation results show that XGrammar can achieve up to 100x speedup over existing solutions. Combined with an LLM inference engine, it can generate near-zero overhead structure generation in end-to-end low-LLM serving.

Beginning with text and images, generative AI has expanded to audio, video, computer code, and molecules. Yet, if generative AI is the answer, what is the question? We explore the foundations of generation as a distinct machine learning task with connections to prediction, compression, and decision-making. We survey five major generative model families: autoregressive models, variational autoencoders, normalizing flows, generative adversarial networks, and diffusion models. We then introduce a probabilistic framework that emphasizes the distinction between density estimation and generation. We review a game-theoretic framework with a two-player adversary-learner setup to study generation. We discuss post-training modifications that prepare generative models for deployment. We end by highlighting some important topics in socially responsible generation such as privacy, detection of AI-generated content, and copyright and IP. We adopt a task-first framing of generation, focusing on what generation is as a machine learning problem, rather than only on how models implement it.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

Recent advances have demonstrated the promising capabilities of large language models (LLMs) in generating register-transfer level (RTL) code, such as Verilog. However, existing LLM-based frameworks still face significant challenges in accurately handling the complexity of real-world RTL designs, particularly those that are large-scale and involve multi-level module instantiations. To address this issue, we present ComplexVCoder, an open-source LLM-driven framework that enhances both the generation quality and efficiency of complex Verilog code. Specifically, we introduce a two-stage generation mechanism, which leverages an intermediate representation to enable a more accurate and structured transition from natural language descriptions to intricate Verilog designs. In addition, we introduce a rule-based alignment method and a domain-specific retrieval-augmented generation (RAG) to further improve the correctness of the synthesized code by incorporating relevant design knowledge during generation. To evaluate our approach, we construct a comprehensive dataset comprising 55 complex Verilog designs derived from real-world implementations. We also release an open-source benchmark suite for systematically assessing the quality of auto-generated RTL code together with the ComplexVCoder framework. Experimental results show that ComplexVCoder outperforms SOTA frameworks such as CodeV and RTLCoder by 14.6% and 22.2%, respectively, in terms of function correctness on complex Verilog benchmarks. Furthermore, ComplexVcoder achieves comparable generation performances in terms of functionality correctness using a lightweight 32B model (Qwen2.5), rivaling larger-scale models such as GPT-3.5 and DeepSeek-V3.

Material reconstruction from a photograph is a key component of 3D content creation democratization. We propose to formulate this ill-posed problem as a controlled synthesis one, leveraging the recent progress in generative deep networks. We present ControlMat, a method which, given a single photograph with uncontrolled illumination as input, conditions a diffusion model to generate plausible, tileable, high-resolution physically-based digital materials. We carefully analyze the behavior of diffusion models for multi-channel outputs, adapt the sampling process to fuse multi-scale information and introduce rolled diffusion to enable both tileability and patched diffusion for high-resolution outputs. Our generative approach further permits exploration of a variety of materials which could correspond to the input image, mitigating the unknown lighting conditions. We show that our approach outperforms recent inference and latent-space-optimization methods, and carefully validate our diffusion process design choices. Supplemental materials and additional details are available at: https://gvecchio.com/controlmat/.

Controllable text generation is a fundamental aspect of natural language generation, with numerous methods proposed for different constraint types. However, these approaches often require significant architectural or decoding modifications, making them challenging to apply to additional constraints or resolve different constraint combinations. To address this, our paper introduces Regular Expression Instruction (REI), which utilizes an instruction-based mechanism to fully exploit regular expressions' advantages to uniformly model diverse constraints. Specifically, our REI supports all popular fine-grained controllable generation constraints, i.e., lexical, positional, and length, as well as their complex combinations, via regular expression-style instructions. Our method only requires fine-tuning on medium-scale language models or few-shot, in-context learning on large language models, and requires no further adjustment when applied to various constraint combinations. Experiments demonstrate that our straightforward approach yields high success rates and adaptability to various constraints while maintaining competitiveness in automatic metrics and outperforming most previous baselines.

Most existing sequence generation models produce outputs in one pass, usually left-to-right. However, this is in contrast with a more natural approach that humans use in generating content; iterative refinement and editing. Recent work has introduced edit-based models for various tasks (such as neural machine translation and text style transfer), but these generally model a single edit step. In this work, we propose modeling editing processes, modeling the whole process of iteratively generating sequences. We form a conceptual framework to describe the likelihood of multi-step edits, and describe neural models that can learn a generative model of sequences based on these multistep edits. We introduce baseline results and metrics on this task, finding that modeling editing processes improves performance on a variety of axes on both our proposed task and related downstream tasks compared to previous single-step models of edits.

Reliably generating structured outputs has become a critical capability for modern language model (LM) applications. Constrained decoding has emerged as the dominant technology across sectors for enforcing structured outputs during generation. Despite its growing adoption, little has been done with the systematic evaluation of the behaviors and performance of constrained decoding. Constrained decoding frameworks have standardized around JSON Schema as a structured data format, with most uses guaranteeing constraint compliance given a schema. However, there is poor understanding of the effectiveness of the methods in practice. We present an evaluation framework to assess constrained decoding approaches across three critical dimensions: efficiency in generating constraint-compliant outputs, coverage of diverse constraint types, and quality of the generated outputs. To facilitate this evaluation, we introduce JSONSchemaBench, a benchmark for constrained decoding comprising 10K real-world JSON schemas that encompass a wide range of constraints with varying complexity. We pair the benchmark with the existing official JSON Schema Test Suite and evaluate six state-of-the-art constrained decoding frameworks, including Guidance, Outlines, Llamacpp, XGrammar, OpenAI, and Gemini. Through extensive experiments, we gain insights into the capabilities and limitations of constrained decoding on structured generation with real-world JSON schemas. Our work provides actionable insights for improving constrained decoding frameworks and structured generation tasks, setting a new standard for evaluating constrained decoding and structured generation. We release JSONSchemaBench at https://github.com/guidance-ai/jsonschemabench

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from evolutionary-scale protein sequences within a generative self-supervised discrete diffusion probabilistic framework, which generalizes language modeling for proteins in a principled way. After pre-training, DPLM exhibits the ability to generate structurally plausible, novel, and diverse protein sequences for unconditional generation. We further demonstrate the proposed diffusion generative pre-training makes DPLM possess a better understanding of proteins, making it a superior representation learner, which can be fine-tuned for various predictive tasks, comparing favorably to ESM2 (Lin et al., 2022). Moreover, DPLM can be tailored for various needs, which showcases its prowess of conditional generation in several ways: (1) conditioning on partial peptide sequences, e.g., generating scaffolds for functional motifs with high success rate; (2) incorporating other modalities as conditioner, e.g., structure-conditioned generation for inverse folding; and (3) steering sequence generation towards desired properties, e.g., satisfying specified secondary structures, through a plug-and-play classifier guidance. Code is released at https://github.com/bytedance/dplm.

In this work, we introduce FlexGen, a flexible framework designed to generate controllable and consistent multi-view images, conditioned on a single-view image, or a text prompt, or both. FlexGen tackles the challenges of controllable multi-view synthesis through additional conditioning on 3D-aware text annotations. We utilize the strong reasoning capabilities of GPT-4V to generate 3D-aware text annotations. By analyzing four orthogonal views of an object arranged as tiled multi-view images, GPT-4V can produce text annotations that include 3D-aware information with spatial relationship. By integrating the control signal with proposed adaptive dual-control module, our model can generate multi-view images that correspond to the specified text. FlexGen supports multiple controllable capabilities, allowing users to modify text prompts to generate reasonable and corresponding unseen parts. Additionally, users can influence attributes such as appearance and material properties, including metallic and roughness. Extensive experiments demonstrate that our approach offers enhanced multiple controllability, marking a significant advancement over existing multi-view diffusion models. This work has substantial implications for fields requiring rapid and flexible 3D content creation, including game development, animation, and virtual reality. Project page: https://xxu068.github.io/flexgen.github.io/.

Fine granularity is an essential requirement for controllable text generation, which has seen rapid growth with the ability of LLMs. However, existing methods focus mainly on a small set of attributes like 3 to 5, and their performance degrades significantly when the number of attributes increases to the next order of magnitude. To address this challenge, we propose a novel zero-shot approach for extremely fine-grained controllable generation (EFCG), proposing auto-reconstruction (AR) and global preference optimization (GPO). In the AR phase, we leverage LLMs to extract soft attributes (e.g., Emphasis on simplicity and minimalism in design) from raw texts, and combine them with programmatically derived hard attributes (e.g., The text should be between 300 and 400 words) to construct massive (around 45) multi-attribute requirements, which guide the fine-grained text reconstruction process under weak supervision. In the GPO phase, we apply direct preference optimization (DPO) to refine text generation under diverse attribute combinations, enabling efficient exploration of the global combination space. Additionally, we introduce an efficient attribute sampling strategy to identify and correct potentially erroneous attributes, further improving global optimization. Our framework significantly improves the constraint satisfaction rate (CSR) and text quality for EFCG by mitigating position bias and alleviating attention dilution.

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.

Constraints are critical in text generation as LLM outputs are often unreliable when it comes to ensuring generated outputs adhere to user defined instruction or general safety guidelines. To address this gap, we present Constrained Discrete Diffusion (CDD), a novel method for enforcing constraints on natural language by integrating discrete diffusion models with differentiable optimization. Unlike conventional text generators, which often rely on post-hoc filtering or model retraining for controllable generation, we propose imposing constraints directly into the discrete diffusion sampling process. We illustrate how this technique can be applied to satisfy a variety of natural language constraints, including (i) toxicity mitigation by preventing harmful content from emerging, (ii) character and sequence level lexical constraints, and (iii) novel molecule sequence generation with specific property adherence. Experimental results show that our constraint-aware procedure achieves high fidelity in meeting these requirements while preserving fluency and semantic coherence, outperforming auto-regressive and existing discrete diffusion approaches.

Large language models (LLMs) have shown promising results in a wide array of generative NLP tasks, such as summarization and machine translation. In the context of narrative generation, however, existing models still do not capture factors that contribute to producing consistent text. For instance, it is logical that a piece of text or a story should be uniformly readable throughout and that this form of complexity should be controllable. As such, if the complexity of an input text prompt is rated first-grade reading level in the Flesch Reading Ease test, then the generated text continuing the plot should also be within this range of complexity. With this in mind, we introduce Uniform Complexity for Text Generation (UCTG), a new benchmark test which raises the challenge of making generative models observe uniform linguistic properties with respect to prompts. We experiment with over 150+ linguistically and cognitively motivated features for evaluating text complexity in humans and generative models. From our results, we find that models such as GPT-2 struggle to preserve the complexity of input prompts used in its generations, even if finetuned with professionally written texts.

Advancements in DNA sequencing technologies have significantly improved our ability to decode genomic sequences. However, the prediction and interpretation of these sequences remain challenging due to the intricate nature of genetic material. Large language models (LLMs) have introduced new opportunities for biological sequence analysis. Recent developments in genomic language models have underscored the potential of LLMs in deciphering DNA sequences. Nonetheless, existing models often face limitations in robustness and application scope, primarily due to constraints in model structure and training data scale. To address these limitations, we present GENERator, a generative genomic foundation model featuring a context length of 98k base pairs (bp) and 1.2B parameters. Trained on an expansive dataset comprising 386B bp of eukaryotic DNA, the GENERator demonstrates state-of-the-art performance across both established and newly proposed benchmarks. The model adheres to the central dogma of molecular biology, accurately generating protein-coding sequences that translate into proteins structurally analogous to known families. It also shows significant promise in sequence optimization, particularly through the prompt-responsive generation of promoter sequences with specific activity profiles. These capabilities position the GENERator as a pivotal tool for genomic research and biotechnological advancement, enhancing our ability to interpret and predict complex biological systems and enabling precise genomic interventions.

Although recent text-to-video (T2V) generation methods have seen significant advancements, most of these works focus on producing short video clips of a single event with a single background (i.e., single-scene videos). Meanwhile, recent large language models (LLMs) have demonstrated their capability in generating layouts and programs to control downstream visual modules such as image generation models. This raises an important question: can we leverage the knowledge embedded in these LLMs for temporally consistent long video generation? In this paper, we propose VideoDirectorGPT, a novel framework for consistent multi-scene video generation that uses the knowledge of LLMs for video content planning and grounded video generation. Specifically, given a single text prompt, we first ask our video planner LLM (GPT-4) to expand it into a 'video plan', which involves generating the scene descriptions, the entities with their respective layouts, the background for each scene, and consistency groupings of the entities and backgrounds. Next, guided by this output from the video planner, our video generator, Layout2Vid, has explicit control over spatial layouts and can maintain temporal consistency of entities/backgrounds across scenes, while only trained with image-level annotations. Our experiments demonstrate that VideoDirectorGPT framework substantially improves layout and movement control in both single- and multi-scene video generation and can generate multi-scene videos with visual consistency across scenes, while achieving competitive performance with SOTAs in open-domain single-scene T2V generation. We also demonstrate that our framework can dynamically control the strength for layout guidance and can also generate videos with user-provided images. We hope our framework can inspire future work on better integrating the planning ability of LLMs into consistent long video generation.

Spatial control is a core capability in controllable image generation. Advancements in layout-guided image generation have shown promising results on in-distribution (ID) datasets with similar spatial configurations. However, it is unclear how these models perform when facing out-of-distribution (OOD) samples with arbitrary, unseen layouts. In this paper, we propose LayoutBench, a diagnostic benchmark for layout-guided image generation that examines four categories of spatial control skills: number, position, size, and shape. We benchmark two recent representative layout-guided image generation methods and observe that the good ID layout control may not generalize well to arbitrary layouts in the wild (e.g., objects at the boundary). Next, we propose IterInpaint, a new baseline that generates foreground and background regions in a step-by-step manner via inpainting, demonstrating stronger generalizability than existing models on OOD layouts in LayoutBench. We perform quantitative and qualitative evaluation and fine-grained analysis on the four LayoutBench skills to pinpoint the weaknesses of existing models. Lastly, we show comprehensive ablation studies on IterInpaint, including training task ratio, crop&paste vs. repaint, and generation order. Project website: https://layoutbench.github.io

We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure that designs are synthetically tractable. By incorporating a scalable transformer architecture and a diffusion module for building block selection, SynFormer surpasses existing models in synthesizable molecular design. We demonstrate SynFormer's effectiveness in two key applications: (1) local chemical space exploration, where the model generates synthesizable analogs of a reference molecule, and (2) global chemical space exploration, where the model aims to identify optimal molecules according to a black-box property prediction oracle. Additionally, we demonstrate the scalability of our approach via the improvement in performance as more computational resources become available. With our code and trained models openly available, we hope that SynFormer will find use across applications in drug discovery and materials science.

Layout generation is the keystone in achieving automated graphic design, requiring arranging the position and size of various multi-modal design elements in a visually pleasing and constraint-following manner. Previous approaches are either inefficient for large-scale applications or lack flexibility for varying design requirements. Our research introduces a unified framework for automated graphic layout generation, leveraging the multi-modal large language model (MLLM) to accommodate diverse design tasks. In contrast, our data-driven method employs structured text (JSON format) and visual instruction tuning to generate layouts under specific visual and textual constraints, including user-defined natural language specifications. We conducted extensive experiments and achieved state-of-the-art (SOTA) performance on public multi-modal layout generation benchmarks, demonstrating the effectiveness of our method. Moreover, recognizing existing datasets' limitations in capturing the complexity of real-world graphic designs, we propose two new datasets for much more challenging tasks (user-constrained generation and complicated poster), further validating our model's utility in real-life settings. Marking by its superior accessibility and adaptability, this approach further automates large-scale graphic design tasks. The code and datasets will be publicly available on https://github.com/posterllava/PosterLLaVA.

Lexically constrained text generation is one of the constrained text generation tasks, which aims to generate text that covers all the given constraint lexicons. While the existing approaches tackle this problem using a lexically constrained beam search algorithm or dedicated model using non-autoregressive decoding, there is a trade-off between the generated text quality and the hard constraint satisfaction. We introduce AutoTemplate, a simple yet effective lexically constrained text generation framework divided into template generation and lexicalization tasks. The template generation is to generate the text with the placeholders, and lexicalization replaces them into the constraint lexicons to perform lexically constrained text generation. We conducted the experiments on two tasks: keywords-to-sentence generations and entity-guided summarization. Experimental results show that the AutoTemplate outperforms the competitive baselines on both tasks while satisfying the hard lexical constraints.

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction, directly generating diverse, novel protein structures from neural networks remains difficult. In this work, we present a new diffusion-based generative model that designs protein backbone structures via a procedure that mirrors the native folding process. We describe protein backbone structure as a series of consecutive angles capturing the relative orientation of the constituent amino acid residues, and generate new structures by denoising from a random, unfolded state towards a stable folded structure. Not only does this mirror how proteins biologically twist into energetically favorable conformations, the inherent shift and rotational invariance of this representation crucially alleviates the need for complex equivariant networks. We train a denoising diffusion probabilistic model with a simple transformer backbone and demonstrate that our resulting model unconditionally generates highly realistic protein structures with complexity and structural patterns akin to those of naturally-occurring proteins. As a useful resource, we release the first open-source codebase and trained models for protein structure diffusion.

Controlling the behavior of language models (LMs) without re-training is a major open problem in natural language generation. While recent works have demonstrated successes on controlling simple sentence attributes (e.g., sentiment), there has been little progress on complex, fine-grained controls (e.g., syntactic structure). To address this challenge, we develop a new non-autoregressive language model based on continuous diffusions that we call Diffusion-LM. Building upon the recent successes of diffusion models in continuous domains, Diffusion-LM iteratively denoises a sequence of Gaussian vectors into word vectors, yielding a sequence of intermediate latent variables. The continuous, hierarchical nature of these intermediate variables enables a simple gradient-based algorithm to perform complex, controllable generation tasks. We demonstrate successful control of Diffusion-LM for six challenging fine-grained control tasks, significantly outperforming prior work.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

De novo 3D molecule generation is a pivotal task in drug discovery. However, many recent geometric generative models struggle to produce high-quality 3D structures, even if they maintain 2D validity and topological stability. To tackle this issue and enhance the learning of effective molecular generation dynamics, we present Megalodon-a family of scalable transformer models. These models are enhanced with basic equivariant layers and trained using a joint continuous and discrete denoising co-design objective. We assess Megalodon's performance on established molecule generation benchmarks and introduce new 3D structure benchmarks that evaluate a model's capability to generate realistic molecular structures, particularly focusing on energetics. We show that Megalodon achieves state-of-the-art results in 3D molecule generation, conditional structure generation, and structure energy benchmarks using diffusion and flow matching. Furthermore, doubling the number of parameters in Megalodon to 40M significantly enhances its performance, generating up to 49x more valid large molecules and achieving energy levels that are 2-10x lower than those of the best prior generative models.

Deep generative models allow for photorealistic image synthesis at high resolutions. But for many applications, this is not enough: content creation also needs to be controllable. While several recent works investigate how to disentangle underlying factors of variation in the data, most of them operate in 2D and hence ignore that our world is three-dimensional. Further, only few works consider the compositional nature of scenes. Our key hypothesis is that incorporating a compositional 3D scene representation into the generative model leads to more controllable image synthesis. Representing scenes as compositional generative neural feature fields allows us to disentangle one or multiple objects from the background as well as individual objects' shapes and appearances while learning from unstructured and unposed image collections without any additional supervision. Combining this scene representation with a neural rendering pipeline yields a fast and realistic image synthesis model. As evidenced by our experiments, our model is able to disentangle individual objects and allows for translating and rotating them in the scene as well as changing the camera pose.

Realistic hair strand generation is crucial for applications like computer graphics and virtual reality. While diffusion models can generate hairstyles from text or images, these inputs lack precision and user-friendliness. Instead, we propose the first sketch-based strand generation model, which offers finer control while remaining user-friendly. Our framework tackles key challenges, such as modeling complex strand interactions and diverse sketch patterns, through two main innovations: a learnable strand upsampling strategy that encodes 3D strands into multi-scale latent spaces, and a multi-scale adaptive conditioning mechanism using a transformer with diffusion heads to ensure consistency across granularity levels. Experiments on several benchmark datasets show our method outperforms existing approaches in realism and precision. Qualitative results further confirm its effectiveness. Code will be released at [GitHub](https://github.com/fighting-Zhang/StrandDesigner).

Controllable Text Generation (CTG) is emerging area in the field of natural language generation (NLG). It is regarded as crucial for the development of advanced text generation technologies that better meet the specific constraints in practical applications. In recent years, methods using large-scale pre-trained language models (PLMs), in particular the widely used transformer-based PLMs, have become a new paradigm of NLG, allowing generation of more diverse and fluent text. However, due to the limited level of interpretability of deep neural networks, the controllability of these methods need to be guaranteed. To this end, controllable text generation using transformer-based PLMs has become a rapidly growing yet challenging new research hotspot. A diverse range of approaches have emerged in the recent 3-4 years, targeting different CTG tasks that require different types of controlled constraints. In this paper, we present a systematic critical review on the common tasks, main approaches, and evaluation methods in this area. Finally, we discuss the challenges that the field is facing, and put forward various promising future directions. To the best of our knowledge, this is the first survey paper to summarize the state-of-the-art CTG techniques from the perspective of Transformer-based PLMs. We hope it can help researchers and practitioners in the related fields to quickly track the academic and technological frontier, providing them with a landscape of the area and a roadmap for future research.

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment. Nevertheless, they have certain drawbacks. One such limitation is that they can only align models with one preference at the training time (e.g., they cannot learn to generate concise responses when the preference data prefers detailed responses), or have certain constraints for the data format (e.g., DPO only supports pairwise preference data). To this end, prior works incorporate controllable generations for alignment to make language models learn multiple preferences and provide outputs with different preferences during inference if asked. Controllable generation also offers more flexibility with regard to data format (e.g., it supports pointwise preference data). Specifically, it uses different control tokens for different preferences during training and inference, making LLMs behave differently when required. Current controllable generation methods either use a special token or hand-crafted prompts as control tokens, and optimize them together with LLMs. As control tokens are typically much lighter than LLMs, this optimization strategy may not effectively optimize control tokens. To this end, we first use parameter-efficient tuning (e.g., prompting tuning and low-rank adaptation) to optimize control tokens and then fine-tune models for controllable generations, similar to prior works. Our approach, alignMEnt with parameter-Efficient Tuning (MEET), improves the quality of control tokens, thus improving controllable generation quality consistently by an apparent margin on two well-recognized datasets compared with prior works.

Generating 3D models lies at the core of computer graphics and has been the focus of decades of research. With the emergence of advanced neural representations and generative models, the field of 3D content generation is developing rapidly, enabling the creation of increasingly high-quality and diverse 3D models. The rapid growth of this field makes it difficult to stay abreast of all recent developments. In this survey, we aim to introduce the fundamental methodologies of 3D generation methods and establish a structured roadmap, encompassing 3D representation, generation methods, datasets, and corresponding applications. Specifically, we introduce the 3D representations that serve as the backbone for 3D generation. Furthermore, we provide a comprehensive overview of the rapidly growing literature on generation methods, categorized by the type of algorithmic paradigms, including feedforward generation, optimization-based generation, procedural generation, and generative novel view synthesis. Lastly, we discuss available datasets, applications, and open challenges. We hope this survey will help readers explore this exciting topic and foster further advancements in the field of 3D content generation.

Recently, 3D generation methods have shown their powerful ability to automate 3D model creation. However, most 3D generation methods only rely on an input image or a text prompt to generate a 3D model, which lacks the control of each component of the generated 3D model. Any modifications of the input image lead to an entire regeneration of the 3D models. In this paper, we introduce a new method called CMD that generates a 3D model from an input image while enabling flexible local editing of each component of the 3D model. In CMD, we formulate the 3D generation as a conditional multiview diffusion model, which takes the existing or known parts as conditions and generates the edited or added components. This conditional multiview diffusion model not only allows the generation of 3D models part by part but also enables local editing of 3D models according to the local revision of the input image without changing other 3D parts. Extensive experiments are conducted to demonstrate that CMD decomposes a complex 3D generation task into multiple components, improving the generation quality. Meanwhile, CMD enables efficient and flexible local editing of a 3D model by just editing one rendered image.

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over the target LM -- to our knowledge, the first model with such generality -- while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-Based Model) representation. From that optimal representation we then train a target controlled Autoregressive LM through an adaptive distributional variant of Policy Gradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the initial LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. (Code available at https://github.com/naver/gdc)

Large language models (LLMs) show great potential for synthetic data generation. This work shows that useful data can be synthetically generated even for tasks that cannot be solved directly by the LLM: we show that, for problems with structured outputs, it is possible to prompt an LLM to perform the task in the opposite direction, to generate plausible text for the target structure. Leveraging the asymmetry in task difficulty makes it possible to produce large-scale, high-quality data for complex tasks. We demonstrate the effectiveness of this approach on closed information extraction, where collecting ground-truth data is challenging, and no satisfactory dataset exists to date. We synthetically generate a dataset of 1.8M data points, demonstrate its superior quality compared to existing datasets in a human evaluation and use it to finetune small models (220M and 770M parameters). The models we introduce, SynthIE, outperform existing baselines of comparable size with a substantial gap of 57 and 79 absolute points in micro and macro F1, respectively. Code, data, and models are available at https://github.com/epfl-dlab/SynthIE.

Recently, Large Language Models (LLMs) have achieved significant success, prompting increased interest in expanding their generative capabilities beyond general text into domain-specific areas. This study investigates the generation of parametric sequences for computer-aided design (CAD) models using LLMs. This endeavor represents an initial step towards creating parametric 3D shapes with LLMs, as CAD model parameters directly correlate with shapes in three-dimensional space. Despite the formidable generative capacities of LLMs, this task remains challenging, as these models neither encounter parametric sequences during their pretraining phase nor possess direct awareness of 3D structures. To address this, we present CAD-Llama, a framework designed to enhance pretrained LLMs for generating parametric 3D CAD models. Specifically, we develop a hierarchical annotation pipeline and a code-like format to translate parametric 3D CAD command sequences into Structured Parametric CAD Code (SPCC), incorporating hierarchical semantic descriptions. Furthermore, we propose an adaptive pretraining approach utilizing SPCC, followed by an instruction tuning process aligned with CAD-specific guidelines. This methodology aims to equip LLMs with the spatial knowledge inherent in parametric sequences. Experimental results demonstrate that our framework significantly outperforms prior autoregressive methods and existing LLM baselines.

It is common in graphic design humans visually arrange various elements according to their design intent and semantics. For example, a title text almost always appears on top of other elements in a document. In this work, we generate graphic layouts that can flexibly incorporate such design semantics, either specified implicitly or explicitly by a user. We optimize using the latent space of an off-the-shelf layout generation model, allowing our approach to be complementary to and used with existing layout generation models. Our approach builds on a generative layout model based on a Transformer architecture, and formulates the layout generation as a constrained optimization problem where design constraints are used for element alignment, overlap avoidance, or any other user-specified relationship. We show in the experiments that our approach is capable of generating realistic layouts in both constrained and unconstrained generation tasks with a single model. The code is available at https://github.com/ktrk115/const_layout .

In recent years, there has been a growing interest in the development of language models capable of generating text with controllable attributes. While several approaches have been proposed, many of these methods require condition-specific data or significant computational resources. In this study, we propose a novel method called Gamma Sampling, which enables controllable language generation without the need for any training data and maintains a fast generation speed. Gamma Sampling incorporates attribute-related information into the sampling process, effectively guiding the language model to produce text with desired attributes. Our experimental results demonstrate that Gamma Sampling, when applied to GPT2, outperforms representative baselines in terms of diversity, attribute relevance, and overall quality of the generated samples.

Automatically generating coherent and semantically meaningful text has many applications in machine translation, dialogue systems, image captioning, etc. Recently, by combining with policy gradient, Generative Adversarial Nets (GAN) that use a discriminative model to guide the training of the generative model as a reinforcement learning policy has shown promising results in text generation. However, the scalar guiding signal is only available after the entire text has been generated and lacks intermediate information about text structure during the generative process. As such, it limits its success when the length of the generated text samples is long (more than 20 words). In this paper, we propose a new framework, called LeakGAN, to address the problem for long text generation. We allow the discriminative net to leak its own high-level extracted features to the generative net to further help the guidance. The generator incorporates such informative signals into all generation steps through an additional Manager module, which takes the extracted features of current generated words and outputs a latent vector to guide the Worker module for next-word generation. Our extensive experiments on synthetic data and various real-world tasks with Turing test demonstrate that LeakGAN is highly effective in long text generation and also improves the performance in short text generation scenarios. More importantly, without any supervision, LeakGAN would be able to implicitly learn sentence structures only through the interaction between Manager and Worker.

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

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.

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

Layout generation is a task to synthesize a harmonious layout with elements characterized by attributes such as category, position, and size. Human designers experiment with the placement and modification of elements to create aesthetic layouts, however, we observed that current discrete diffusion models (DDMs) struggle to correct inharmonious layouts after they have been generated. In this paper, we first provide novel insights into layout sticking phenomenon in DDMs and then propose a simple yet effective layout-assessment module Layout-Corrector, which works in conjunction with existing DDMs to address the layout sticking problem. We present a learning-based module capable of identifying inharmonious elements within layouts, considering overall layout harmony characterized by complex composition. During the generation process, Layout-Corrector evaluates the correctness of each token in the generated layout, reinitializing those with low scores to the ungenerated state. The DDM then uses the high-scored tokens as clues to regenerate the harmonized tokens. Layout-Corrector, tested on common benchmarks, consistently boosts layout-generation performance when in conjunction with various state-of-the-art DDMs. Furthermore, our extensive analysis demonstrates that the Layout-Corrector (1) successfully identifies erroneous tokens, (2) facilitates control over the fidelity-diversity trade-off, and (3) significantly mitigates the performance drop associated with fast sampling.

We introduce a new generative model that combines latent diffusion with persistent homology to create 3D shapes with high diversity, with a special emphasis on their topological characteristics. Our method involves representing 3D shapes as implicit fields, then employing persistent homology to extract topological features, including Betti numbers and persistence diagrams. The shape generation process consists of two steps. Initially, we employ a transformer-based autoencoding module to embed the implicit representation of each 3D shape into a set of latent vectors. Subsequently, we navigate through the learned latent space via a diffusion model. By strategically incorporating topological features into the diffusion process, our generative module is able to produce a richer variety of 3D shapes with different topological structures. Furthermore, our framework is flexible, supporting generation tasks constrained by a variety of inputs, including sparse and partial point clouds, as well as sketches. By modifying the persistence diagrams, we can alter the topology of the shapes generated from these input modalities.

Prompted models have demonstrated impressive few-shot learning abilities. Repeated interactions at test-time with a single model, or the composition of multiple models together, further expands capabilities. These compositions are probabilistic models, and may be expressed in the language of graphical models with random variables whose values are complex data types such as strings. Cases with control flow and dynamic structure require techniques from probabilistic programming, which allow implementing disparate model structures and inference strategies in a unified language. We formalize several existing techniques from this perspective, including scratchpads / chain of thought, verifiers, STaR, selection-inference, and tool use. We refer to the resulting programs as language model cascades.

Significant progress has been made in training large generative models for natural language and images. Yet, the advancement of 3D generative models is hindered by their substantial resource demands for training, along with inefficient, non-compact, and less expressive representations. This paper introduces Make-A-Shape, a new 3D generative model designed for efficient training on a vast scale, capable of utilizing 10 millions publicly-available shapes. Technical-wise, we first innovate a wavelet-tree representation to compactly encode shapes by formulating the subband coefficient filtering scheme to efficiently exploit coefficient relations. We then make the representation generatable by a diffusion model by devising the subband coefficients packing scheme to layout the representation in a low-resolution grid. Further, we derive the subband adaptive training strategy to train our model to effectively learn to generate coarse and detail wavelet coefficients. Last, we extend our framework to be controlled by additional input conditions to enable it to generate shapes from assorted modalities, e.g., single/multi-view images, point clouds, and low-resolution voxels. In our extensive set of experiments, we demonstrate various applications, such as unconditional generation, shape completion, and conditional generation on a wide range of modalities. Our approach not only surpasses the state of the art in delivering high-quality results but also efficiently generates shapes within a few seconds, often achieving this in just 2 seconds for most conditions.

We introduce GameGen-X, the first diffusion transformer model specifically designed for both generating and interactively controlling open-world game videos. This model facilitates high-quality, open-domain generation by simulating an extensive array of game engine features, such as innovative characters, dynamic environments, complex actions, and diverse events. Additionally, it provides interactive controllability, predicting and altering future content based on the current clip, thus allowing for gameplay simulation. To realize this vision, we first collected and built an Open-World Video Game Dataset from scratch. It is the first and largest dataset for open-world game video generation and control, which comprises over a million diverse gameplay video clips sampling from over 150 games with informative captions from GPT-4o. GameGen-X undergoes a two-stage training process, consisting of foundation model pre-training and instruction tuning. Firstly, the model was pre-trained via text-to-video generation and video continuation, endowing it with the capability for long-sequence, high-quality open-domain game video generation. Further, to achieve interactive controllability, we designed InstructNet to incorporate game-related multi-modal control signal experts. This allows the model to adjust latent representations based on user inputs, unifying character interaction and scene content control for the first time in video generation. During instruction tuning, only the InstructNet is updated while the pre-trained foundation model is frozen, enabling the integration of interactive controllability without loss of diversity and quality of generated video content.

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

Controllable music generation promotes the interaction between humans and composition systems by projecting the users' intent on their desired music. The challenge of introducing controllability is an increasingly important issue in the symbolic music generation field. When building controllable generative popular multi-instrument music systems, two main challenges typically present themselves, namely weak controllability and poor music quality. To address these issues, we first propose spatiotemporal features as powerful and fine-grained controls to enhance the controllability of the generative model. In addition, an efficient music representation called REMI_Track is designed to convert multitrack music into multiple parallel music sequences and shorten the sequence length of each track with Byte Pair Encoding (BPE) techniques. Subsequently, we release BandControlNet, a conditional model based on parallel Transformers, to tackle the multiple music sequences and generate high-quality music samples that are conditioned to the given spatiotemporal control features. More concretely, the two specially designed modules of BandControlNet, namely structure-enhanced self-attention (SE-SA) and Cross-Track Transformer (CTT), are utilized to strengthen the resulting musical structure and inter-track harmony modeling respectively. Experimental results tested on two popular music datasets of different lengths demonstrate that the proposed BandControlNet outperforms other conditional music generation models on most objective metrics in terms of fidelity and inference speed and shows great robustness in generating long music samples. The subjective evaluations show BandControlNet trained on short datasets can generate music with comparable quality to state-of-the-art models, while outperforming them significantly using longer datasets.

Recent advances in 3D-native generative models have accelerated asset creation for games, film, and design. However, most methods still rely primarily on image or text conditioning and lack fine-grained, cross-modal controls, which limits controllability and practical adoption. To address this gap, we present Hunyuan3D-Omni, a unified framework for fine-grained, controllable 3D asset generation built on Hunyuan3D 2.1. In addition to images, Hunyuan3D-Omni accepts point clouds, voxels, bounding boxes, and skeletal pose priors as conditioning signals, enabling precise control over geometry, topology, and pose. Instead of separate heads for each modality, our model unifies all signals in a single cross-modal architecture. We train with a progressive, difficulty-aware sampling strategy that selects one control modality per example and biases sampling toward harder signals (e.g., skeletal pose) while downweighting easier ones (e.g., point clouds), encouraging robust multi-modal fusion and graceful handling of missing inputs. Experiments show that these additional controls improve generation accuracy, enable geometry-aware transformations, and increase robustness for production workflows.

High-quality automated poetry generation systems are currently only available for a small subset of languages. We introduce a new model for generating poetry in Czech language, based on fine-tuning a pre-trained Large Language Model. We demonstrate that guiding the generation process by explicitly specifying strophe parameters within the poem text strongly improves the effectiveness of the model. We also find that appropriate tokenization is crucial, showing that tokenization methods based on syllables or individual characters instead of subwords prove superior in generating poetic strophes. We further enhance the results by introducing Forced~generation, adding explicit specifications of meter and verse parameters at inference time based on the already generated text. We evaluate a range of setups, showing that our proposed approach achieves high accuracies in rhyming and metric aspects of formal quality of the generated poems.

Controllable music generation remains a significant challenge, with existing methods often requiring model retraining or introducing audible artifacts. We introduce MusicRFM, a framework that adapts Recursive Feature Machines (RFMs) to enable fine-grained, interpretable control over frozen, pre-trained music models by directly steering their internal activations. RFMs analyze a model's internal gradients to produce interpretable "concept directions", or specific axes in the activation space that correspond to musical attributes like notes or chords. We first train lightweight RFM probes to discover these directions within MusicGen's hidden states; then, during inference, we inject them back into the model to guide the generation process in real-time without per-step optimization. We present advanced mechanisms for this control, including dynamic, time-varying schedules and methods for the simultaneous enforcement of multiple musical properties. Our method successfully navigates the trade-off between control and generation quality: we can increase the accuracy of generating a target musical note from 0.23 to 0.82, while text prompt adherence remains within approximately 0.02 of the unsteered baseline, demonstrating effective control with minimal impact on prompt fidelity. We release code to encourage further exploration on RFMs in the music domain.

Current image generation and editing methods primarily process textual prompts as direct inputs without reasoning about visual composition and explicit operations. We present Generation Chain-of-Thought (GoT), a novel paradigm that enables generation and editing through an explicit language reasoning process before outputting images. This approach transforms conventional text-to-image generation and editing into a reasoning-guided framework that analyzes semantic relationships and spatial arrangements. We define the formulation of GoT and construct large-scale GoT datasets containing over 9M samples with detailed reasoning chains capturing semantic-spatial relationships. To leverage the advantages of GoT, we implement a unified framework that integrates Qwen2.5-VL for reasoning chain generation with an end-to-end diffusion model enhanced by our novel Semantic-Spatial Guidance Module. Experiments show our GoT framework achieves excellent performance on both generation and editing tasks, with significant improvements over baselines. Additionally, our approach enables interactive visual generation, allowing users to explicitly modify reasoning steps for precise image adjustments. GoT pioneers a new direction for reasoning-driven visual generation and editing, producing images that better align with human intent. To facilitate future research, we make our datasets, code, and pretrained models publicly available at https://github.com/rongyaofang/GoT.

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from discontinuities in the training target and further pathologies. To overcome this, we develop Dirichlet flow matching on the simplex based on mixtures of Dirichlet distributions as probability paths. In this framework, we derive a connection between the mixtures' scores and the flow's vector field that allows for classifier and classifier-free guidance. Further, we provide distilled Dirichlet flow matching, which enables one-step sequence generation with minimal performance hits, resulting in O(L) speedups compared to autoregressive models. On complex DNA sequence generation tasks, we demonstrate superior performance compared to all baselines in distributional metrics and in achieving desired design targets for generated sequences. Finally, we show that our classifier-free guidance approach improves unconditional generation and is effective for generating DNA that satisfies design targets. Code is available at https://github.com/HannesStark/dirichlet-flow-matching.

Domain experts across engineering, healthcare, and education follow strict standards for producing quality content such as technical manuals, medication instructions, and children's reading materials. However, current works in controllable text generation have yet to explore using these standards as references for control. Towards this end, we introduce Standardize, a retrieval-style in-context learning-based framework to guide large language models to align with expert-defined standards. Focusing on English language standards in the education domain as a use case, we consider the Common European Framework of Reference for Languages (CEFR) and Common Core Standards (CCS) for the task of open-ended content generation. Our findings show that models can gain 40% to 100% increase in precise accuracy for Llama2 and GPT-4, respectively, demonstrating that the use of knowledge artifacts extracted from standards and integrating them in the generation process can effectively guide models to produce better standard-aligned content.

Controllable 3D scene generation has extensive applications in virtual reality and interior design, where the generated scenes should exhibit high levels of realism and controllability in terms of geometry. Scene graphs provide a suitable data representation that facilitates these applications. However, current graph-based methods for scene generation are constrained to text-based inputs and exhibit insufficient adaptability to flexible user inputs, hindering the ability to precisely control object geometry. To address this issue, we propose MMGDreamer, a dual-branch diffusion model for scene generation that incorporates a novel Mixed-Modality Graph, visual enhancement module, and relation predictor. The mixed-modality graph allows object nodes to integrate textual and visual modalities, with optional relationships between nodes. It enhances adaptability to flexible user inputs and enables meticulous control over the geometry of objects in the generated scenes. The visual enhancement module enriches the visual fidelity of text-only nodes by constructing visual representations using text embeddings. Furthermore, our relation predictor leverages node representations to infer absent relationships between nodes, resulting in more coherent scene layouts. Extensive experimental results demonstrate that MMGDreamer exhibits superior control of object geometry, achieving state-of-the-art scene generation performance. Project page: https://yangzhifeio.github.io/project/MMGDreamer.

Recently, large language models (LLMs) have demonstrated excellent performance in understanding human instructions and generating code, which has inspired researchers to explore the feasibility of generating RTL code with LLMs. However, the existing approaches to fine-tune LLMs on RTL codes typically are conducted on fixed datasets, which do not fully stimulate the capability of LLMs and require large amounts of reference data. To mitigate these issues , we introduce a simple yet effective iterative training paradigm named ITERTL. During each iteration, samples are drawn from the model trained in the previous cycle. Then these new samples are employed for training in this loop. Through this iterative approach, the distribution mismatch between the model and the training samples is reduced. Additionally, the model is thus enabled to explore a broader generative space and receive more comprehensive feedback. Theoretical analyses are conducted to investigate the mechanism of the effectiveness. Experimental results show the model trained through our proposed approach can compete with and even outperform the state-of-the-art (SOTA) open-source model with nearly 37\% reference samples, achieving remarkable 42.9\% and 62.2\% pass@1 rate on two VerilogEval evaluation datasets respectively. While using the same amount of reference samples, our method can achieved a relative improvement of 16.9\% and 12.5\% in pass@1 compared to the non-iterative method. This study facilitates the application of LLMs for generating RTL code in practical scenarios with limited data.

In recent years, significant progress has been made in the development of text-to-image generation models. However, these models still face limitations when it comes to achieving full controllability during the generation process. Often, specific training or the use of limited models is required, and even then, they have certain restrictions. To address these challenges, A two-stage method that effectively combines controllability and high quality in the generation of images is proposed. This approach leverages the expertise of pre-trained models to achieve precise control over the generated images, while also harnessing the power of diffusion models to achieve state-of-the-art quality. By separating controllability from high quality, This method achieves outstanding results. It is compatible with both latent and image space diffusion models, ensuring versatility and flexibility. Moreover, This approach consistently produces comparable outcomes to the current state-of-the-art methods in the field. Overall, This proposed method represents a significant advancement in text-to-image generation, enabling improved controllability without compromising on the quality of the generated images.

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

The dominant paradigm for neural text generation is left-to-right decoding from autoregressive language models. Constrained or controllable generation under complex lexical constraints, however, requires foresight to plan ahead feasible future paths. Drawing inspiration from the A* search algorithm, we propose NeuroLogic A*esque, a decoding algorithm that incorporates heuristic estimates of future cost. We develop efficient lookahead heuristics that are efficient for large-scale language models, making our method a drop-in replacement for common techniques such as beam search and top-k sampling. To enable constrained generation, we build on NeuroLogic decoding (Lu et al., 2021), combining its flexibility in incorporating logical constraints with A*esque estimates of future constraint satisfaction. Our approach outperforms competitive baselines on five generation tasks, and achieves new state-of-the-art performance on table-to-text generation, constrained machine translation, and keyword-constrained generation. The improvements are particularly notable on tasks that require complex constraint satisfaction or in few-shot or zero-shot settings. NeuroLogic A*esque illustrates the power of decoding for improving and enabling new capabilities of large-scale language models.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.