Daily Papers

We present CoDa (Constrained Generation based Data Augmentation), a controllable, effective, and training-free data augmentation technique for low-resource (data-scarce) NLP. Our approach is based on prompting off-the-shelf instruction-following Large Language Models (LLMs) for generating text that satisfies a set of constraints. Precisely, we extract a set of simple constraints from every instance in the low-resource dataset and verbalize them to prompt an LLM to generate novel and diverse training instances. Our findings reveal that synthetic data that follows simple constraints in the downstream dataset act as highly effective augmentations, and CoDa can achieve this without intricate decoding-time constrained generation techniques or fine-tuning with complex algorithms that eventually make the model biased toward the small number of training instances. Additionally, CoDa is the first framework that provides users explicit control over the augmentation generation process, thereby also allowing easy adaptation to several domains. We demonstrate the effectiveness of CoDa across 11 datasets spanning 3 tasks and 3 low-resource settings. CoDa outperforms all our baselines, qualitatively and quantitatively, with improvements of 0.12%-7.19%. Code is available here: https://github.com/Sreyan88/CoDa

Large-scale pre-trained language models, such as BERT and GPT-2, have achieved excellent performance in language representation learning and free-form text generation. However, these models cannot be directly employed to generate text under specified lexical constraints. To address this challenge, we present POINTER (PrOgressive INsertion-based TransformER), a simple yet novel insertion-based approach for hard-constrained text generation. The proposed method operates by progressively inserting new tokens between existing tokens in a parallel manner. This procedure is recursively applied until a sequence is completed. The resulting coarse-to-fine hierarchy makes the generation process intuitive and interpretable. We pre-train our model with the proposed progressive insertion-based objective on a 12GB Wikipedia dataset, and fine-tune it on downstream hard-constrained generation tasks. Non-autoregressive decoding yields an empirically logarithmic time complexity during inference time. Experimental results on both News and Yelp datasets demonstrate that POINTER achieves state-of-the-art performance on constrained text generation. We released the pre-trained models and the source code to facilitate future research (https://github.com/dreasysnail/POINTER).

Code generation, symbolic math reasoning, and other tasks require LLMs to produce outputs that are both syntactically and semantically correct. Constrained LLM generation is a promising direction to enforce adherence to formal grammar, but prior works have empirically observed that strict enforcement of formal constraints often diminishes the reasoning capabilities of LLMs. In this work, we first provide a theoretical explanation for why constraining LLM outputs to very restrictive grammars that only allow syntactically valid final answers reduces the reasoning capabilities of the model. Second, we demonstrate that by augmenting the output grammar with carefully designed additional rules, it is always possible to preserve the reasoning capabilities of the LLM while ensuring syntactic and semantic correctness in its outputs. Building on these theoretical insights, we propose a reasoning-augmented constrained decoding algorithm, CRANE, which effectively balances the correctness of constrained generation with the flexibility of unconstrained generation. Experiments on multiple open-source LLMs and benchmarks show that CRANE significantly outperforms both state-of-the-art constrained decoding strategies and standard unconstrained decoding, showing up to 10% points accuracy improvement over baselines on challenging symbolic reasoning benchmarks GSM-symbolic and FOLIO.

We introduce Interleaved Gibbs Diffusion (IGD), a novel generative modeling framework for mixed continuous-discrete data, focusing on constrained generation problems. Prior works on discrete and continuous-discrete diffusion models assume factorized denoising distribution for fast generation, which can hinder the modeling of strong dependencies between random variables encountered in constrained generation. IGD moves beyond this by interleaving continuous and discrete denoising algorithms via a discrete time Gibbs sampling type Markov chain. IGD provides flexibility in the choice of denoisers, allows conditional generation via state-space doubling and inference time scaling via the ReDeNoise method. Empirical evaluations on three challenging tasks-solving 3-SAT, generating molecule structures, and generating layouts-demonstrate state-of-the-art performance. Notably, IGD achieves a 7% improvement on 3-SAT out of the box and achieves state-of-the-art results in molecule generation without relying on equivariant diffusion or domain-specific architectures. We explore a wide range of modeling, and interleaving strategies along with hyperparameters in each of these problems.

Re-rankers, which order retrieved documents with respect to the relevance score on the given query, have gained attention for the information retrieval (IR) task. Rather than fine-tuning the pre-trained language model (PLM), the large-scale language model (LLM) is utilized as a zero-shot re-ranker with excellent results. While LLM is highly dependent on the prompts, the impact and the optimization of the prompts for the zero-shot re-ranker are not explored yet. Along with highlighting the impact of optimization on the zero-shot re-ranker, we propose a novel discrete prompt optimization method, Constrained Prompt generation (Co-Prompt), with the metric estimating the optimum for re-ranking. Co-Prompt guides the generated texts from PLM toward optimal prompts based on the metric without parameter update. The experimental results demonstrate that Co-Prompt leads to outstanding re-ranking performance against the baselines. Also, Co-Prompt generates more interpretable prompts for humans against other prompt optimization methods.

Knowledge gaps and hallucinations are persistent challenges for Large Language Models (LLMs), which generate unreliable responses when lacking the necessary information to fulfill user instructions. Existing approaches, such as Retrieval-Augmented Generation (RAG) and tool use, aim to address these issues by incorporating external knowledge. Yet, they rely on additional models or services, resulting in complex pipelines, potential error propagation, and often requiring the model to process a large number of tokens. In this paper, we present a scalable method that enables LLMs to access external knowledge without depending on retrievers or auxiliary models. Our approach uses constrained generation with a pre-built prefix-tree index. Triples from a Knowledge Graph are verbalized in textual facts, tokenized, and indexed in a prefix tree for efficient access. During inference, to acquire external knowledge, the LLM generates facts with constrained generation which allows only sequences of tokens that form an existing fact. We evaluate our proposal on Question Answering and show that it scales to large knowledge bases (800 million facts), adapts to domain-specific data, and achieves effective results. These gains come with minimal generation-time overhead. ReFactX code is available at https://github.com/rpo19/ReFactX.

Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. While there is increasing effort to incorporate physics-based constraints into generative models, existing techniques are either limited in their applicability to latent diffusion frameworks or lack the capability to strictly enforce domain-specific constraints. To address this limitation this paper proposes a novel integration of stable diffusion models with constrained optimization frameworks, enabling the generation of outputs satisfying stringent physical and functional requirements. The effectiveness of this approach is demonstrated through material design experiments requiring adherence to precise morphometric properties, challenging inverse design tasks involving the generation of materials inducing specific stress-strain responses, and copyright-constrained content generation tasks. All code has been released at https://github.com/RAISELab-atUVA/Constrained-Stable-Diffusion.

Many applications of text generation require incorporating different constraints to control the semantics or style of generated text. These constraints can be hard (e.g., ensuring certain keywords are included in the output) and soft (e.g., contextualizing the output with the left- or right-hand context). In this paper, we present Energy-based Constrained Decoding with Langevin Dynamics (COLD), a decoding framework which unifies constrained generation as specifying constraints through an energy function, then performing efficient differentiable reasoning over the constraints through gradient-based sampling. COLD decoding is a flexible framework that can be applied directly to off-the-shelf left-to-right language models without the need for any task-specific fine-tuning, as demonstrated through three challenging text generation applications: lexically-constrained generation, abductive reasoning, and counterfactual reasoning. Our experiments on these constrained generation tasks point to the effectiveness of our approach, both in terms of automatic and human evaluation.

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.

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).

Recent text-to-image diffusion models excel at generating high-resolution images from text but struggle with precise control over spatial composition and object counting. To address these challenges, several studies developed layout-to-image (L2I) approaches that incorporate layout instructions into text-to-image models. However, existing L2I methods typically require either fine-tuning pretrained parameters or training additional control modules for the diffusion models. In this work, we propose a novel zero-shot L2I approach, BACON (Boundary Attention Constrained generation), which eliminates the need for additional modules or fine-tuning. Specifically, we use text-visual cross-attention feature maps to quantify inconsistencies between the layout of the generated images and the provided instructions, and then compute loss functions to optimize latent features during the diffusion reverse process. To enhance spatial controllability and mitigate semantic failures in complex layout instructions, we leverage pixel-to-pixel correlations in the self-attention feature maps to align cross-attention maps and combine three loss functions constrained by boundary attention to update latent features. Comprehensive experimental results on both L2I and non-L2I pretrained diffusion models demonstrate that our method outperforms existing zero-shot L2I techniuqes both quantitatively and qualitatively in terms of image composition on the DrawBench and HRS benchmarks.

Text generation under constraints have seen increasing interests in natural language processing, especially with the rapidly improving capabilities of large language models. However, existing benchmarks for constrained generation usually focus on fixed constraint types (e.g.,generate a sentence containing certain words) that have proved to be easy for state-of-the-art models like GPT-4. We present COLLIE, a grammar-based framework that allows the specification of rich, compositional constraints with diverse generation levels (word, sentence, paragraph, passage) and modeling challenges (e.g.,language understanding, logical reasoning, counting, semantic planning). We also develop tools for automatic extraction of task instances given a constraint structure and a raw text corpus. Using COLLIE, we compile the COLLIE-v1 dataset with 2080 instances comprising 13 constraint structures. We perform systematic experiments across five state-of-the-art instruction-tuned language models and analyze their performances to reveal shortcomings. COLLIE is designed to be extensible and lightweight, and we hope the community finds it useful to develop more complex constraints and evaluations in the future.

Generative machine learning methods, such as diffusion models and flow matching, have shown great potential in modeling complex system behaviors and building efficient surrogate models. However, these methods typically learn the underlying physics implicitly from data. We propose Physics-Based Flow Matching (PBFM), a novel generative framework that explicitly embeds physical constraints, both PDE residuals and algebraic relations, into the flow matching objective. We also introduce temporal unrolling at training time that improves the accuracy of the final, noise-free sample prediction. Our method jointly minimizes the flow matching loss and the physics-based residual loss without requiring hyperparameter tuning of their relative weights. Additionally, we analyze the role of the minimum noise level, sigma_{min}, in the context of physical constraints and evaluate a stochastic sampling strategy that helps to reduce physical residuals. Through extensive benchmarks on three representative PDE problems, we show that our approach yields up to an 8times more accurate physical residuals compared to FM, while clearly outperforming existing algorithms in terms of distributional accuracy. PBFM thus provides a principled and efficient framework for surrogate modeling, uncertainty quantification, and accelerated simulation in physics and engineering applications.

Large Language Models are powerful tools for program synthesis and advanced auto-completion, but come with no guarantee that their output code is syntactically correct. This paper contributes an incremental parser that allows early rejection of syntactically incorrect code, as well as efficient detection of complete programs for fill-in-the-middle (FIM) tasks. We extend the Earley parsing algorithm to allow for left and right quotients of context-free grammars, and develop methods to handle quotienting of several context-sensitive features present in the grammars of many common programming languages. The result of these contributions is an efficient, general, and well-grounded method for left and right quotient parsing. To validate our theoretical contributions -- and the effectiveness of certain design decisions -- we evaluate our method on the particularly difficult case of FIM completion for Python 3, with syntax-correctness constraints. Our results demonstrate that constrained generation can significantly reduce the incidence of syntax errors in recommended code.

Large language models (LLMs) have emerged as pivotal contributors in contemporary natural language processing and are increasingly being applied across a diverse range of industries. However, these large-scale probabilistic statistical models cannot currently ensure the requisite quality in professional content generation. These models often produce hallucinated text, compromising their practical utility in professional contexts. To assess the authentic reliability of LLMs in text generation, numerous initiatives have developed benchmark evaluations for hallucination phenomena. Nevertheless, these benchmarks frequently utilize constrained generation techniques due to cost and temporal constraints. These techniques encompass the use of directed hallucination induction and strategies that deliberately alter authentic text to produce hallucinations. These approaches are not congruent with the unrestricted text generation demanded by real-world applications. Furthermore, a well-established Chinese-language dataset dedicated to the evaluation of hallucinations in text generation is presently lacking. Consequently, we have developed an Unconstrained Hallucination Generation Evaluation (UHGEval) benchmark, designed to compile outputs produced with minimal restrictions by LLMs. Concurrently, we have established a comprehensive benchmark evaluation framework to aid subsequent researchers in undertaking scalable and reproducible experiments. We have also executed extensive experiments, evaluating prominent Chinese language models and the GPT series models to derive professional performance insights regarding hallucination challenges.

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is achieved through token masking: looping over the vocabulary and excluding non-conforming tokens. There are two important problems with this approach. (i) Evaluating the constraint on every token can be prohibitively expensive -- LM vocabularies often exceed 100,000 tokens. (ii) LCD can distort the global distribution over strings, sampling tokens based only on local information, even if they lead down dead-end paths. This work introduces a new algorithm that addresses both these problems. First, to avoid evaluating a constraint on the full vocabulary at each step of generation, we propose an adaptive rejection sampling algorithm that typically requires orders of magnitude fewer constraint evaluations. Second, we show how this algorithm can be extended to produce low-variance, unbiased estimates of importance weights at a very small additional cost -- estimates that can be soundly used within previously proposed sequential Monte Carlo algorithms to correct for the myopic behavior of local constraint enforcement. Through extensive empirical evaluation in text-to-SQL, molecular synthesis, goal inference, pattern matching, and JSON domains, we show that our approach is superior to state-of-the-art baselines, supporting a broader class of constraints and improving both runtime and performance. Additional theoretical and empirical analyses show that our method's runtime efficiency is driven by its dynamic use of computation, scaling with the divergence between the unconstrained and constrained LM, and as a consequence, runtime improvements are greater for better models.

Progress in the task of symbolic music generation may be lagging behind other tasks like audio and text generation, in part because of the scarcity of symbolic training data. In this paper, we leverage the greater scale of audio music data by applying pre-trained MIR models (for transcription, beat tracking, structure analysis, etc.) to extract symbolic events and encode them into token sequences. To the best of our knowledge, this work is the first to demonstrate the feasibility of training symbolic generation models solely from auto-transcribed audio data. Furthermore, to enhance the controllability of the trained model, we introduce SymPAC (Symbolic Music Language Model with Prompting And Constrained Generation), which is distinguished by using (a) prompt bars in encoding and (b) a technique called Constrained Generation via Finite State Machines (FSMs) during inference time. We show the flexibility and controllability of this approach, which may be critical in making music AI useful to creators and users.

While modern diffusion models excel at generating high-quality and diverse images, they still struggle with high-fidelity compositional and multimodal control, particularly when users simultaneously specify text prompts, subject references, spatial arrangements, pose constraints, and layout annotations. We introduce Canvas-to-Image, a unified framework that consolidates these heterogeneous controls into a single canvas interface, enabling users to generate images that faithfully reflect their intent. Our key idea is to encode diverse control signals into a single composite canvas image that the model can directly interpret for integrated visual-spatial reasoning. We further curate a suite of multi-task datasets and propose a Multi-Task Canvas Training strategy that optimizes the diffusion model to jointly understand and integrate heterogeneous controls into text-to-image generation within a unified learning paradigm. This joint training enables Canvas-to-Image to reason across multiple control modalities rather than relying on task-specific heuristics, and it generalizes well to multi-control scenarios during inference. Extensive experiments show that Canvas-to-Image significantly outperforms state-of-the-art methods in identity preservation and control adherence across challenging benchmarks, including multi-person composition, pose-controlled composition, layout-constrained generation, and multi-control generation.

Current approaches for controlling dialogue response generation are primarily focused on high-level attributes like style, sentiment, or topic. In this work, we focus on constrained long-term dialogue generation, which involves more fine-grained control and requires a given set of control words to appear in generated responses. This setting requires a model to not only consider the generation of these control words in the immediate context, but also produce utterances that will encourage the generation of the words at some time in the (possibly distant) future. We define the problem of constrained long-term control for dialogue generation, identify gaps in current methods for evaluation, and propose new metrics that better measure long-term control. We also propose a retrieval-augmented method that improves performance of long-term controlled generation via logit modification techniques. We show through experiments on three task-oriented dialogue datasets that our metrics better assess dialogue control relative to current alternatives and that our method outperforms state-of-the-art constrained generation baselines.

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However, measuring electrolyte properties and designing formulations remain experimentally and computationally expensive. In this work, we present a unified framework for designing liquid electrolyte formulation, integrating a forward predictive model with an inverse generative approach. Leveraging both computational and experimental data collected from literature and extensive molecular simulations, we train a predictive model capable of accurately estimating electrolyte properties from ionic conductivity to solvation structure. Our physics-informed architecture preserves permutation invariance and incorporates empirical dependencies on temperature and salt concentration, making it broadly applicable to property prediction tasks across molecular mixtures. Furthermore, we introduce -- to the best of our knowledge -- the first generative machine learning framework for molecular mixture design, demonstrated on electrolyte systems. This framework supports multi-condition-constrained generation, addressing the inherently multi-objective nature of materials design. As a proof of concept, we experimentally identified three liquid electrolytes with both high ionic conductivity and anion-concentrated solvation structure. This unified framework advances data-driven electrolyte design and can be readily extended to other complex chemical systems beyond electrolytes.

Human motion modeling traditionally separates motion generation and estimation into distinct tasks with specialized models. Motion generation models focus on creating diverse, realistic motions from inputs like text, audio, or keyframes, while motion estimation models aim to reconstruct accurate motion trajectories from observations like videos. Despite sharing underlying representations of temporal dynamics and kinematics, this separation limits knowledge transfer between tasks and requires maintaining separate models. We present GENMO, a unified Generalist Model for Human Motion that bridges motion estimation and generation in a single framework. Our key insight is to reformulate motion estimation as constrained motion generation, where the output motion must precisely satisfy observed conditioning signals. Leveraging the synergy between regression and diffusion, GENMO achieves accurate global motion estimation while enabling diverse motion generation. We also introduce an estimation-guided training objective that exploits in-the-wild videos with 2D annotations and text descriptions to enhance generative diversity. Furthermore, our novel architecture handles variable-length motions and mixed multimodal conditions (text, audio, video) at different time intervals, offering flexible control. This unified approach creates synergistic benefits: generative priors improve estimated motions under challenging conditions like occlusions, while diverse video data enhances generation capabilities. Extensive experiments demonstrate GENMO's effectiveness as a generalist framework that successfully handles multiple human motion tasks within a single model.

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.

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.

Policy Compliance Detection (PCD) is a task we encounter when reasoning over texts, e.g. legal frameworks. Previous work to address PCD relies heavily on modeling the task as a special case of Recognizing Textual Entailment. Entailment is applicable to the problem of PCD, however viewing the policy as a single proposition, as opposed to multiple interlinked propositions, yields poor performance and lacks explainability. To address this challenge, more recent proposals for PCD have argued for decomposing policies into expression trees consisting of questions connected with logic operators. Question answering is used to obtain answers to these questions with respect to a scenario. Finally, the expression tree is evaluated in order to arrive at an overall solution. However, this work assumes expression trees are provided by experts, thus limiting its applicability to new policies. In this work, we learn how to infer expression trees automatically from policy texts. We ensure the validity of the inferred trees by introducing constrained decoding using a finite state automaton to ensure the generation of valid trees. We determine through automatic evaluation that 63% of the expression trees generated by our constrained generation model are logically equivalent to gold trees. Human evaluation shows that 88% of trees generated by our model are correct.

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction records that couple user intents with tool specifications, argument-grounded calls, and verifiable execution traces. However, collecting such data from human annotators is costly, time-consuming, and difficult to scale. We present a unified framework for synthesizing agentic data using only LLMs, without any human-in-the-loop supervision. This framework decomposes generation into modular pipelines that produce complete interaction records spanning task specifications, tool definitions, policy pseudocode, natural language exchanges, and execution traces. Records conform to strict syntactic and semantic constraints, ensuring machine-parseability and faithful alignment across inputs, outputs, and tool calls. Beyond single tasks, there is support for both multi-task and multi-turn agent interactions, enabling the construction of datasets that reflect the full spectrum of tool-use competencies. To ensure quality and consistency, the framework integrates constrained generation formats, JSON-schema validation, and judge-based filtering. This paper formalizes the schema for agentic records, details the prompt design principles that guide generation, and introduces scalable pipelines for high-quality synthetic data. By providing a reproducible, LLM-only alternative to manual collection, hence advancing the development of agentic LLMs capable of robust tool use.

Drug discovery is a complex process that involves multiple scenarios and stages, such as fragment-constrained molecule generation, hit generation and lead optimization. However, existing molecular generative models can only tackle one or two of these scenarios and lack the flexibility to address various aspects of the drug discovery pipeline. In this paper, we present Generalist Molecular generative model (GenMol), a versatile framework that addresses these limitations by applying discrete diffusion to the Sequential Attachment-based Fragment Embedding (SAFE) molecular representation. GenMol generates SAFE sequences through non-autoregressive bidirectional parallel decoding, thereby allowing utilization of a molecular context that does not rely on the specific token ordering and enhanced computational efficiency. Moreover, under the discrete diffusion framework, we introduce fragment remasking, a strategy that optimizes molecules by replacing fragments with masked tokens and regenerating them, enabling effective exploration of chemical space. GenMol significantly outperforms the previous GPT-based model trained on SAFE representations in de novo generation and fragment-constrained generation, and achieves state-of-the-art performance in goal-directed hit generation and lead optimization. These experimental results demonstrate that GenMol can tackle a wide range of drug discovery tasks, providing a unified and versatile approach for molecular design.

We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small molecules. The model learns to transform a uniform source over all possible tokens into the data distribution. Unlike masked models, its training loss accounts for predictions on all sequence positions at every denoising step, shifting the generation paradigm from completion to refinement, and decoupling the number of sampling steps from the sequence length. For de novo generation, InVirtuoGen achieves a stronger quality-diversity pareto frontier than prior fragment-based models and competitive performance on fragment-constrained tasks. For property and lead optimization, we propose a hybrid scheme that combines a genetic algorithm with a Proximal Property Optimization fine-tuning strategy adapted to discrete flows. Our approach sets a new state-of-the-art on the Practical Molecular Optimization benchmark, measured by top-10 AUC across tasks, and yields higher docking scores in lead optimization than previous baselines. InVirtuoGen thus establishes a versatile generative foundation for drug discovery, from early hit finding to multi-objective lead optimization. We further contribute to open science by releasing pretrained checkpoints and code, making our results fully reproduciblehttps://github.com/invirtuolabs/InVirtuoGen_results.

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.

While test-time reasoning enables language models to tackle complex tasks, searching or planning in natural language can be slow, costly, and error-prone. But even when LMs struggle to emulate the precise reasoning steps needed to solve a problem, they often excel at describing its abstract structure--both how to verify solutions and how to search for them. This paper introduces DisCIPL, a method for "self-steering" LMs where a Planner model generates a task-specific inference program that is executed by a population of Follower models. Our approach equips LMs with the ability to write recursive search procedures that guide LM inference, enabling new forms of verifiable and efficient reasoning. When instantiated with a small Follower (e.g., Llama-3.2-1B), DisCIPL matches (and sometimes outperforms) much larger models, including GPT-4o and o1, on challenging constrained generation tasks. In decoupling planning from execution, our work opens up a design space of highly-parallelized Monte Carlo inference strategies that outperform standard best-of-N sampling, require no finetuning, and can be implemented automatically by existing LMs.

We present THOUGHTSCULPT, a general reasoning and search method for tasks with outputs that can be decomposed into components. THOUGHTSCULPT explores a search tree of potential solutions using Monte Carlo Tree Search (MCTS), building solutions one action at a time and evaluating according to any domain-specific heuristic, which in practice is often simply an LLM evaluator. Critically, our action space includes revision actions: THOUGHTSCULPT may choose to revise part of its previous output rather than continuing to build the rest of its output. Empirically, THOUGHTSCULPT outperforms state-of-the-art reasoning methods across three challenging tasks: Story Outline Improvement (up to +30% interestingness), Mini-Crosswords Solving (up to +16% word success rate), and Constrained Generation (up to +10% concept coverage).

Language models exhibit remarkable natural language generation capabilities but remain prone to hallucinations, generating factually incorrect information despite producing syntactically coherent responses. This study introduces the Licensing Oracle, an architectural solution designed to stem hallucinations in LMs by enforcing truth constraints through formal validation against structured knowledge graphs. Unlike statistical approaches that rely on data scaling or fine-tuning, the Licensing Oracle embeds a deterministic validation step into the model's generative process, ensuring that only factually accurate claims are made. We evaluated the effectiveness of the Licensing Oracle through experiments comparing it with several state-of-the-art methods, including baseline language model generation, fine-tuning for factual recall, fine-tuning for abstention behavior, and retrieval-augmented generation (RAG). Our results demonstrate that although RAG and fine-tuning improve performance, they fail to eliminate hallucinations. In contrast, the Licensing Oracle achieved perfect abstention precision (AP = 1.0) and zero false answers (FAR-NE = 0.0), ensuring that only valid claims were generated with 89.1% accuracy in factual responses. This work shows that architectural innovations, such as the Licensing Oracle, offer a necessary and sufficient solution for hallucinations in domains with structured knowledge representations, offering guarantees that statistical methods cannot match. Although the Licensing Oracle is specifically designed to address hallucinations in fact-based domains, its framework lays the groundwork for truth-constrained generation in future AI systems, providing a new path toward reliable, epistemically grounded models.

Despite the success of Large Language Models (LLMs) on various tasks following human instructions, controlling model generation at inference time poses a persistent challenge. In this paper, we introduce Ctrl-G, an adaptable framework that facilitates tractable and flexible control of LLM generation to reliably follow logical constraints. Ctrl-G combines any production-ready LLM with a Hidden Markov Model, enabling LLM outputs to adhere to logical constraints represented as deterministic finite automata. We show that Ctrl-G, when applied to a TULU2-7B model, outperforms GPT3.5 and GPT4 on the task of interactive text editing: specifically, for the task of generating text insertions/continuations following logical constraints, Ctrl-G achieves over 30% higher satisfaction rate in human evaluation compared to GPT4. When applied to medium-size language models (e.g., GPT2-large), Ctrl-G also beats its counterparts for constrained generation by large margins on standard benchmarks. Additionally, as a proof-of-concept study, we experiment Ctrl-G on the Grade School Math benchmark to assist LLM reasoning, foreshadowing the application of Ctrl-G, as well as other constrained generation approaches, beyond traditional language generation tasks.

We study generative modeling on convex domains using flow matching and mirror maps, and identify two fundamental challenges. First, standard log-barrier mirror maps induce heavy-tailed dual distributions, leading to ill-posed dynamics. Second, coupling with Gaussian priors performs poorly when matching heavy-tailed targets. To address these issues, we propose Mirror Flow Matching based on a regularized mirror map that controls dual tail behavior and guarantees finite moments, together with coupling to a Student-t prior that aligns with heavy-tailed targets and stabilizes training. We provide theoretical guarantees, including spatial Lipschitzness and temporal regularity of the velocity field, Wasserstein convergence rates for flow matching with Student-t priors and primal-space guarantees for constrained generation, under varepsilon-accurate learned velocity fields. Empirically, our method outperforms baselines in synthetic convex-domain simulations and achieves competitive sample quality on real-world constrained generative tasks.

Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions. This limits tractable querying of this knowledge to start-to-end autoregressive sampling. However, many tasks of interest -- including sequence continuation, infilling, and other forms of constrained generation -- involve sampling from intractable posterior distributions. We address this limitation by using amortized Bayesian inference to sample from these intractable posteriors. Such amortization is algorithmically achieved by fine-tuning LLMs via diversity-seeking reinforcement learning algorithms: generative flow networks (GFlowNets). We empirically demonstrate that this distribution-matching paradigm of LLM fine-tuning can serve as an effective alternative to maximum-likelihood training and reward-maximizing policy optimization. As an important application, we interpret chain-of-thought reasoning as a latent variable modeling problem and demonstrate that our approach enables data-efficient adaptation of LLMs to tasks that require multi-step rationalization and tool use.

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.

In real-world applications of natural language generation, there are often constraints on the target sentences in addition to fluency and naturalness requirements. Existing language generation techniques are usually based on recurrent neural networks (RNNs). However, it is non-trivial to impose constraints on RNNs while maintaining generation quality, since RNNs generate sentences sequentially (or with beam search) from the first word to the last. In this paper, we propose CGMH, a novel approach using Metropolis-Hastings sampling for constrained sentence generation. CGMH allows complicated constraints such as the occurrence of multiple keywords in the target sentences, which cannot be handled in traditional RNN-based approaches. Moreover, CGMH works in the inference stage, and does not require parallel corpora for training. We evaluate our method on a variety of tasks, including keywords-to-sentence generation, unsupervised sentence paraphrasing, and unsupervised sentence error correction. CGMH achieves high performance compared with previous supervised methods for sentence generation. Our code is released at https://github.com/NingMiao/CGMH

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.

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods seldom consider the space group constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering space group constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the space group constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the space group constraint into two parts: the basis constraint of the invariant logarithmic space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking space group constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the space group constraint, and show that our DiffCSP++ achieves promising performance on crystal structure prediction, ab initio crystal generation and controllable generation with customized space groups.

Recently, large-scale pre-trained language models have demonstrated impressive performance on several commonsense-reasoning benchmark datasets. However, building machines with commonsense to compose realistically plausible sentences remains challenging. In this paper, we present a constrained text generation task, CommonGen associated with a benchmark dataset, to explicitly test machines for the ability of generative commonsense reasoning. Given a set of common concepts (e.g., {dog, frisbee, catch, throw}); the task is to generate a coherent sentence describing an everyday scenario using these concepts (e.g., "a man throws a frisbee and his dog catches it"). The CommonGen task is challenging because it inherently requires 1) relational reasoning with background commonsense knowledge, and 2) compositional generalization ability to work on unseen concept combinations. Our dataset, constructed through a combination of crowdsourced and existing caption corpora, consists of 79k commonsense descriptions over 35k unique concept-sets. Experiments show that there is a large gap between state-of-the-art text generation models (e.g., T5) and human performance. Furthermore, we demonstrate that the learned generative commonsense reasoning capability can be transferred to improve downstream tasks such as CommonsenseQA by generating additional context.

State-of-the-art keyphrase generation methods generally depend on large annotated datasets, limiting their performance in domains with limited annotated data. To overcome this challenge, we design a data-oriented approach that first identifies salient information using retrieval-based corpus-level statistics, and then learns a task-specific intermediate representation based on a pre-trained language model using large-scale unlabeled documents. We introduce salient span recovery and salient span prediction as denoising training objectives that condense the intra-article and inter-article knowledge essential for keyphrase generation. Through experiments on multiple keyphrase generation benchmarks, we show the effectiveness of the proposed approach for facilitating low-resource keyphrase generation and zero-shot domain adaptation. Our method especially benefits the generation of absent keyphrases, approaching the performance of models trained with large training sets.

Modifications to test-time sampling have emerged as an important extension to diffusion algorithms, with the goal of biasing the generative process to achieve a given objective without having to retrain the entire diffusion model. However, generating jointly correlated samples from multiple pre-trained diffusion models while simultaneously enforcing task-specific constraints without costly retraining has remained challenging. To this end, we propose Projected Coupled Diffusion (PCD), a novel test-time framework for constrained joint generation. PCD introduces a coupled guidance term into the generative dynamics to encourage coordination between diffusion models and incorporates a projection step at each diffusion step to enforce hard constraints. Empirically, we demonstrate the effectiveness of PCD in application scenarios of image-pair generation, object manipulation, and multi-robot motion planning. Our results show improved coupling effects and guaranteed constraint satisfaction without incurring excessive computational costs.

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.

Despite rapid advancement in the field of Constrained Natural Language Generation, little time has been spent on exploring the potential of language models which have had their vocabularies lexically, semantically, and/or phonetically constrained. We find that most language models generate compelling text even under significant constraints. We present a simple and universally applicable technique for modifying the output of a language model by compositionally applying filter functions to the language models vocabulary before a unit of text is generated. This approach is plug-and-play and requires no modification to the model. To showcase the value of this technique, we present an easy to use AI writing assistant called Constrained Text Generation Studio (CTGS). CTGS allows users to generate or choose from text with any combination of a wide variety of constraints, such as banning a particular letter, forcing the generated words to have a certain number of syllables, and/or forcing the words to be partial anagrams of another word. We introduce a novel dataset of prose that omits the letter e. We show that our method results in strictly superior performance compared to fine-tuning alone on this dataset. We also present a Huggingface space web-app presenting this technique called Gadsby. The code is available to the public here: https://github.com/Hellisotherpeople/Constrained-Text-Generation-Studio

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.

Constrained decoding, a technique for enforcing constraints on language model outputs, offers a way to control text generation without retraining or architectural modifications. Its application is, however, typically restricted to models that give users access to next-token distributions (usually via softmax logits), which poses a limitation with blackbox large language models (LLMs). This paper introduces sketch-guided constrained decoding (SGCD), a novel approach to constrained decoding for blackbox LLMs, which operates without access to the logits of the blackbox LLM. SGCD utilizes a locally hosted auxiliary model to refine the output of an unconstrained blackbox LLM, effectively treating this initial output as a "sketch" for further elaboration. This approach is complementary to traditional logit-based techniques and enables the application of constrained decoding in settings where full model transparency is unavailable. We demonstrate the efficacy of SGCD through experiments in closed information extraction and constituency parsing, showing how it enhances the utility and flexibility of blackbox LLMs for complex NLP tasks.

Despite the success of autoregressive large language models in text generation, it remains a major challenge to generate text that satisfies complex constraints: sampling from the conditional distribution {Pr}(text | alpha) is intractable for even the simplest lexical constraints alpha. To overcome this challenge, we propose to use tractable probabilistic models (TPMs) to impose lexical constraints in autoregressive text generation models, which we refer to as GeLaTo (Generating Language with Tractable Constraints). To demonstrate the effectiveness of this framework, we use distilled hidden Markov models, where we can efficiently compute {Pr}(text | alpha), to guide autoregressive generation from GPT2. GeLaTo achieves state-of-the-art performance on challenging benchmarks for constrained text generation (e.g., CommonGen), beating various strong baselines by a large margin. Our work not only opens up new avenues for controlling large language models but also motivates the development of more expressive TPMs.

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.

Large Language Models (LLMs) are frequently used for multi-faceted language generation and evaluation tasks that involve satisfying intricate user constraints or taking into account multiple aspects and criteria. However, their performance can fall short, due to the model's lack of coherence and inability to plan and decompose the problem. We propose Branch-Solve-Merge (BSM), a Large Language Model program (Schlag et al., 2023) for tackling such challenging natural language tasks. It consists of branch, solve, and merge modules that are parameterized with specific prompts to the base LLM. These three modules plan a decomposition of the task into multiple parallel sub-tasks, independently solve them, and fuse the solutions to the sub-tasks. We apply our method to the tasks of LLM response evaluation and constrained text generation and evaluate its effectiveness with multiple LLMs, including Vicuna, LLaMA-2-chat, and GPT-4. BSM improves the evaluation correctness and consistency for each LLM by enhancing human-LLM agreement by up to 26%, reducing length and pairwise position biases by up to 50%, and allowing LLaMA-2-chat to match or outperform GPT-4 on most domains. On the constraint story generation task, BSM improves the coherence of the stories while also improving constraint satisfaction by 12%.

Large language models (LLMs) exhibit remarkable generative capabilities but often suffer from hallucinations. Retrieval-augmented generation (RAG) offers an effective solution by incorporating external knowledge, but existing methods still face several limitations: additional deployment costs of separate retrievers, redundant input tokens from retrieved text chunks, and the lack of joint optimization of retrieval and generation. To address these issues, we propose RetroLLM, a unified framework that integrates retrieval and generation into a single, cohesive process, enabling LLMs to directly generate fine-grained evidence from the corpus with constrained decoding. Moreover, to mitigate false pruning in the process of constrained evidence generation, we introduce (1) hierarchical FM-Index constraints, which generate corpus-constrained clues to identify a subset of relevant documents before evidence generation, reducing irrelevant decoding space; and (2) a forward-looking constrained decoding strategy, which considers the relevance of future sequences to improve evidence accuracy. Extensive experiments on five open-domain QA datasets demonstrate RetroLLM's superior performance across both in-domain and out-of-domain tasks. The code is available at https://github.com/sunnynexus/RetroLLM.

Pre-trained language models have been successful in natural language generation (NLG) tasks. While various decoding methods have been employed, they often produce suboptimal results. We first present an empirical analysis of three NLG tasks: summarization, machine translation, and constrained text generation. We found that selecting the best output from the results of multiple decoding methods can significantly improve performance. To further improve reranking for NLG tasks, we proposed a novel method, PairReranker, which uses a single encoder and a pairwise loss function to jointly encode a source input and a pair of candidates and compare them. Experiments on three NLG tasks demonstrated the effectiveness and flexibility of PairReranker, showing strong results, compared with previous baselines. In addition, our PairReranker can generalize to significantly improve GPT-3 (text-davinci-003) results (e.g., 24.55\% on CommonGen and 11.35\% on WMT18 zh-en), even though our rerankers are not trained with any GPT-3 candidates.

Sequence labeling (SL) tasks, where labels are assigned to tokens, are abundant in NLP (e.g., named entity recognition and aspect-based sentiment analysis). Owing to the intuition that they require bidirectional context, SL tasks are commonly tackled with encoder-only models. Recent work also shows that removing the causal mask in fine-tuning enables decoder-based LLMs to become effective token classifiers. Less work, however, focused on (supervised) generative SL, a more natural setting for causal LLMs. Due to their rapid scaling, causal LLMs applied to SL are expected to outperform encoders, whose own development has stagnated. In this work, we propose supervised in-context fine-tuning (SIFT) for generative SL. SIFT casts SL tasks as constrained response generation, natural to LLMs, combining (1) in-context learning (ICL) from demonstrations with (2) supervised fine-tuning. SIFT considerably outperforms both ICL and decoder-as-encoder fine-tuning baselines on a range of standard SL tasks. We further find that although long context hinders the performance of generative SL in both ICL and SIFT, this deficiency can be mitigated by removing the instruction, as instructions are shown to be largely unnecessary for achieving strong SL performance with SIFT. Our findings highlight strengths and limitations of SL with LLMs, underscoring the importance of a response-based generative task formulation for effective SL performance.

Diffusion models are the current state of the art for generating photorealistic images. Controlling the sampling process for constrained image generation tasks such as inpainting, however, remains challenging since exact conditioning on such constraints is intractable. While existing methods use various techniques to approximate the constrained posterior, this paper proposes to exploit the ability of Tractable Probabilistic Models (TPMs) to exactly and efficiently compute the constrained posterior, and to leverage this signal to steer the denoising process of diffusion models. Specifically, this paper adopts a class of expressive TPMs termed Probabilistic Circuits (PCs). Building upon prior advances, we further scale up PCs and make them capable of guiding the image generation process of diffusion models. Empirical results suggest that our approach can consistently improve the overall quality and semantic coherence of inpainted images across three natural image datasets (i.e., CelebA-HQ, ImageNet, and LSUN) with only ~10% additional computational overhead brought by the TPM. Further, with the help of an image encoder and decoder, our method can readily accept semantic constraints on specific regions of the image, which opens up the potential for more controlled image generation tasks. In addition to proposing a new framework for constrained image generation, this paper highlights the benefit of more tractable models and motivates the development of expressive TPMs.

Scaling language models have revolutionized widespread NLP tasks, yet little comprehensively explored few-shot relation extraction with large language models. In this paper, we investigate principal methodologies, in-context learning and data generation, for few-shot relation extraction via GPT-3.5 through exhaustive experiments. To enhance few-shot performance, we further propose task-related instructions and schema-constrained data generation. We observe that in-context learning can achieve performance on par with previous prompt learning approaches, and data generation with the large language model can boost previous solutions to obtain new state-of-the-art few-shot results on four widely-studied relation extraction datasets. We hope our work can inspire future research for the capabilities of large language models in few-shot relation extraction. Code is available in https://github.com/zjunlp/DeepKE/tree/main/example/llm.

In this paper, we address the challenge of enforcing strict schema adherence in large language model (LLM) generation by leveraging LLM reasoning capabilities. Building on the DeepSeek R1 reinforcement learning framework, our approach trains structured reasoning skills of a 1.5B parameter model through a novel pipeline that combines synthetic reasoning dataset construction with custom reward functions under Group Relative Policy Optimization (GRPO). Specifically, we first perform R1 reinforcement learning on a 20K sample unstructured-to-structured dataset, mirroring the original DeepSeek R1 methods, to establish core reasoning abilities. Subsequently, we performed supervised fine-tuning on a separate 10K reasoning sample dataset, focusing on refining schema adherence for downstream tasks. Despite the relatively modest training scope, requiring approximately 20 hours on an 8xH100 GPU cluster for GRPO training and 3 hours on 1xA100 for SFT, our model demonstrates robust performance in enforcing schema consistency. We compare our ThinkJSON approach against the original DeepSeek R1 (671B), distilled versions of DeepSeek R1 (Qwen-1.5B and Qwen-7B), and Gemini 2.0 Flash (70B), showcasing its effectiveness in real-world applications. Our results underscore the practical utility of a resource-efficient framework for schema-constrained text generation.

Pretrained language models have served as important backbones for natural language processing. Recently, in-domain pretraining has been shown to benefit various domain-specific downstream tasks. In the biomedical domain, natural language generation (NLG) tasks are of critical importance, while understudied. Approaching natural language understanding (NLU) tasks as NLG achieves satisfying performance in the general domain through constrained language generation or language prompting. We emphasize the lack of in-domain generative language models and the unsystematic generative downstream benchmarks in the biomedical domain, hindering the development of the research community. In this work, we introduce the generative language model BioBART that adapts BART to the biomedical domain. We collate various biomedical language generation tasks including dialogue, summarization, entity linking, and named entity recognition. BioBART pretrained on PubMed abstracts has enhanced performance compared to BART and set strong baselines on several tasks. Furthermore, we conduct ablation studies on the pretraining tasks for BioBART and find that sentence permutation has negative effects on downstream tasks.

Synthetic data generation offers a promising solution to enhance the usefulness of Electronic Healthcare Records (EHR) by generating realistic de-identified data. However, the existing literature primarily focuses on the quality of synthetic health data, neglecting the crucial aspect of fairness in downstream predictions. Consequently, models trained on synthetic EHR have faced criticism for producing biased outcomes in target tasks. These biases can arise from either spurious correlations between features or the failure of models to accurately represent sub-groups. To address these concerns, we present Bias-transforming Generative Adversarial Networks (Bt-GAN), a GAN-based synthetic data generator specifically designed for the healthcare domain. In order to tackle spurious correlations (i), we propose an information-constrained Data Generation Process that enables the generator to learn a fair deterministic transformation based on a well-defined notion of algorithmic fairness. To overcome the challenge of capturing exact sub-group representations (ii), we incentivize the generator to preserve sub-group densities through score-based weighted sampling. This approach compels the generator to learn from underrepresented regions of the data manifold. We conduct extensive experiments using the MIMIC-III database. Our results demonstrate that Bt-GAN achieves SOTA accuracy while significantly improving fairness and minimizing bias amplification. We also perform an in-depth explainability analysis to provide additional evidence supporting the validity of our study. In conclusion, our research introduces a novel and professional approach to addressing the limitations of synthetic data generation in the healthcare domain. By incorporating fairness considerations and leveraging advanced techniques such as GANs, we pave the way for more reliable and unbiased predictions in healthcare applications.

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 .

The inherent generative power of denoising diffusion models makes them well-suited for image restoration tasks where the objective is to find the optimal high-quality image within the generative space that closely resembles the input image. We propose a method to adapt a pretrained diffusion model for image restoration by simply adding noise to the input image to be restored and then denoise. Our method is based on the observation that the space of a generative model needs to be constrained. We impose this constraint by finetuning the generative model with a set of anchor images that capture the characteristics of the input image. With the constrained space, we can then leverage the sampling strategy used for generation to do image restoration. We evaluate against previous methods and show superior performances on multiple real-world restoration datasets in preserving identity and image quality. We also demonstrate an important and practical application on personalized restoration, where we use a personal album as the anchor images to constrain the generative space. This approach allows us to produce results that accurately preserve high-frequency details, which previous works are unable to do. Project webpage: https://gen2res.github.io.

Pretrained using large amount of data, autoregressive language models are able to generate high quality sequences. However, these models do not perform well under hard lexical constraints as they lack fine control of content generation process. Progressive insertion-based transformers can overcome the above limitation and efficiently generate a sequence in parallel given some input tokens as constraint. These transformers however may fail to support hard lexical constraints as their generation process is more likely to terminate prematurely. The paper analyses such early termination problems and proposes the Entity-constrained insertion transformer (ENCONTER), a new insertion transformer that addresses the above pitfall without compromising much generation efficiency. We introduce a new training strategy that considers predefined hard lexical constraints (e.g., entities to be included in the generated sequence). Our experiments show that ENCONTER outperforms other baseline models in several performance metrics rendering it more suitable in practical applications. Our code is available at https://github.com/LARC-CMU-SMU/Enconter

Powered by large-scale text-to-image generation models, text-to-3D avatar generation has made promising progress. However, most methods fail to produce photorealistic results, limited by imprecise geometry and low-quality appearance. Towards more practical avatar generation, we present SEEAvatar, a method for generating photorealistic 3D avatars from text with SElf-Evolving constraints for decoupled geometry and appearance. For geometry, we propose to constrain the optimized avatar in a decent global shape with a template avatar. The template avatar is initialized with human prior and can be updated by the optimized avatar periodically as an evolving template, which enables more flexible shape generation. Besides, the geometry is also constrained by the static human prior in local parts like face and hands to maintain the delicate structures. For appearance generation, we use diffusion model enhanced by prompt engineering to guide a physically based rendering pipeline to generate realistic textures. The lightness constraint is applied on the albedo texture to suppress incorrect lighting effect. Experiments show that our method outperforms previous methods on both global and local geometry and appearance quality by a large margin. Since our method can produce high-quality meshes and textures, such assets can be directly applied in classic graphics pipeline for realistic rendering under any lighting condition. Project page at: https://seeavatar3d.github.io.

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.

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.

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.

Recent advancements in Large Language Models (LLMs) have spurred interest in numerous applications requiring robust long-range capabilities, essential for processing extensive input contexts and continuously generating extended outputs. As sequence lengths increase, the number of Key-Value (KV) pairs in LLMs escalates, creating a significant efficiency bottleneck. In this paper, we propose a new KV cache optimization paradigm called LaCache, a training-free method for efficient and accurate generative inference of LLMs. LaCache enables LLMs to simultaneously address both of the critical challenges in long-range modeling: robust long-range capabilities and continuous generation without running out-of-memory (OOM). Specifically, LaCache integrates two key innovations: (1) a ladder-shaped KV cache pattern that stores KV pairs not only sequentially (left-to-right within each layer) but also across layers (from shallow to deep), providing an extended span for capturing long-range dependencies under a fixed storage budget, thereby boosting long-range capabilities; and (2) an iterative compaction mechanism that progressively compresses older caches, freeing up space for new tokens within a fixed cache size. This token distance-based dynamic compression enables more effective continuous generation under constrained cache budgets. Experiments across various tasks, benchmarks, and LLM models consistently validate LaCache's effectiveness in enhancing LLMs' long-range capabilities. Our code is available at https://github.com/GATECH-EIC/LaCache.

Large Language Models (LLMs) have demonstrated exceptional comprehension capabilities and a vast knowledge base, suggesting that LLMs can serve as efficient tools for automated survey generation. However, recent research related to automated survey generation remains constrained by some critical limitations like finite context window, lack of in-depth content discussion, and absence of systematic evaluation frameworks. Inspired by human writing processes, we propose SurveyX, an efficient and organized system for automated survey generation that decomposes the survey composing process into two phases: the Preparation and Generation phases. By innovatively introducing online reference retrieval, a pre-processing method called AttributeTree, and a re-polishing process, SurveyX significantly enhances the efficacy of survey composition. Experimental evaluation results show that SurveyX outperforms existing automated survey generation systems in content quality (0.259 improvement) and citation quality (1.76 enhancement), approaching human expert performance across multiple evaluation dimensions. Examples of surveys generated by SurveyX are available on www.surveyx.cn

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.

We present Grid Beam Search (GBS), an algorithm which extends beam search to allow the inclusion of pre-specified lexical constraints. The algorithm can be used with any model that generates a sequence hat{y} = {y_{0}ldots y_{T}} , by maximizing p(y | x) = prodlimits_{t}p(y_{t} | x; {y_{0} ldots y_{t-1}}) . Lexical constraints take the form of phrases or words that must be present in the output sequence. This is a very general way to incorporate additional knowledge into a model's output without requiring any modification of the model parameters or training data. We demonstrate the feasibility and flexibility of Lexically Constrained Decoding by conducting experiments on Neural Interactive-Predictive Translation, as well as Domain Adaptation for Neural Machine Translation. Experiments show that GBS can provide large improvements in translation quality in interactive scenarios, and that, even without any user input, GBS can be used to achieve significant gains in performance in domain adaptation scenarios.

Large Language Models (LLMs) have demonstrated remarkable generation capabilities but often struggle to access up-to-date information, which can lead to hallucinations. Retrieval-Augmented Generation (RAG) addresses this issue by incorporating knowledge from external databases, enabling more accurate and relevant responses. Due to the context window constraints of LLMs, it is impractical to input the entire external database context directly into the model. Instead, only the most relevant information, referred to as chunks, is selectively retrieved. However, current RAG research faces three key challenges. First, existing solutions often select each chunk independently, overlooking potential correlations among them. Second, in practice the utility of chunks is non-monotonic, meaning that adding more chunks can decrease overall utility. Traditional methods emphasize maximizing the number of included chunks, which can inadvertently compromise performance. Third, each type of user query possesses unique characteristics that require tailored handling, an aspect that current approaches do not fully consider. To overcome these challenges, we propose a cost constrained retrieval optimization system CORAG for retrieval-augmented generation. We employ a Monte Carlo Tree Search (MCTS) based policy framework to find optimal chunk combinations sequentially, allowing for a comprehensive consideration of correlations among chunks. Additionally, rather than viewing budget exhaustion as a termination condition, we integrate budget constraints into the optimization of chunk combinations, effectively addressing the non-monotonicity of chunk utility.

This paper studies how to synthesize face images of non-existent persons, to create a dataset that allows effective training of face recognition (FR) models. Two important goals are (1) the ability to generate a large number of distinct identities (inter-class separation) with (2) a wide variation in appearance of each identity (intra-class variation). However, existing works 1) are typically limited in how many well-separated identities can be generated and 2) either neglect or use a separate editing model for attribute augmentation. We propose Vec2Face, a holistic model that uses only a sampled vector as input and can flexibly generate and control face images and their attributes. Composed of a feature masked autoencoder and a decoder, Vec2Face is supervised by face image reconstruction and can be conveniently used in inference. Using vectors with low similarity among themselves as inputs, Vec2Face generates well-separated identities. Randomly perturbing an input identity vector within a small range allows Vec2Face to generate faces of the same identity with robust variation in face attributes. It is also possible to generate images with designated attributes by adjusting vector values with a gradient descent method. Vec2Face has efficiently synthesized as many as 300K identities with 15 million total images, whereas 60K is the largest number of identities created in the previous works. FR models trained with the generated HSFace datasets, from 10k to 300k identities, achieve state-of-the-art accuracy, from 92% to 93.52%, on five real-world test sets. For the first time, our model created using a synthetic training set achieves higher accuracy than the model created using a same-scale training set of real face images (on the CALFW test set).

Like humans, Large Language Models (LLMs) struggle to generate high-quality long-form text that adheres to strict requirements in a single pass. This challenge is unsurprising, as successful human writing, according to the Cognitive Writing Theory, is a complex cognitive process involving iterative planning, translating, reviewing, and monitoring. Motivated by these cognitive principles, we aim to equip LLMs with human-like cognitive writing capabilities through CogWriter, a novel training-free framework that transforms LLM constrained long-form text generation into a systematic cognitive writing paradigm. Our framework consists of two key modules: (1) a Planning Agent that performs hierarchical planning to decompose the task, and (2) multiple Generation Agents that execute these plans in parallel. The system maintains quality via continuous monitoring and reviewing mechanisms, which evaluate outputs against specified requirements and trigger necessary revisions. CogWriter demonstrates exceptional performance on LongGenBench, a benchmark for complex constrained long-form text generation. Even when using Qwen-2.5-14B as its backbone, CogWriter surpasses GPT-4o by 22% in complex instruction completion accuracy while reliably generating texts exceeding 10,000 words. We hope this cognitive science-inspired approach provides a paradigm for LLM writing advancements: https://github.com/KaiyangWan/CogWriter{CogWriter}.

Code-switching, the phenomenon of alternating between two or more languages in a single conversation, presents unique challenges for Natural Language Processing (NLP). Most existing research focuses on either syntactic constraints or neural generation, with few efforts to integrate linguistic theory with large language models (LLMs) for generating natural code-switched text. In this paper, we introduce EZSwitch, a novel framework that combines Equivalence Constraint Theory (ECT) with LLMs to produce linguistically valid and fluent code-switched text. We evaluate our method using both human judgments and automatic metrics, demonstrating a significant improvement in the quality of generated code-switching sentences compared to baseline LLMs. To address the lack of suitable evaluation metrics, we conduct a comprehensive correlation study of various automatic metrics against human scores, revealing that current metrics often fail to capture the nuanced fluency of code-switched text. Additionally, we create CSPref, a human preference dataset based on human ratings and analyze model performance across ``hard`` and ``easy`` examples. Our findings indicate that incorporating linguistic constraints into LLMs leads to more robust and human-aligned generation, paving the way for scalable code-switching text generation across diverse language pairs.

We introduce a novel framework for 3D human avatar generation and personalization, leveraging text prompts to enhance user engagement and customization. Central to our approach are key innovations aimed at overcoming the challenges in photo-realistic avatar synthesis. Firstly, we utilize a conditional Neural Radiance Fields (NeRF) model, trained on a large-scale unannotated multi-view dataset, to create a versatile initial solution space that accelerates and diversifies avatar generation. Secondly, we develop a geometric prior, leveraging the capabilities of Text-to-Image Diffusion Models, to ensure superior view invariance and enable direct optimization of avatar geometry. These foundational ideas are complemented by our optimization pipeline built on Variational Score Distillation (VSD), which mitigates texture loss and over-saturation issues. As supported by our extensive experiments, these strategies collectively enable the creation of custom avatars with unparalleled visual quality and better adherence to input text prompts. You can find more results and videos in our website: https://syntec-research.github.io/MagicMirror

Video generation using diffusion-based models is constrained by high computational costs due to the frame-wise iterative diffusion process. This work presents a Diffusion Reuse MOtion (Dr. Mo) network to accelerate latent video generation. Our key discovery is that coarse-grained noises in earlier denoising steps have demonstrated high motion consistency across consecutive video frames. Following this observation, Dr. Mo propagates those coarse-grained noises onto the next frame by incorporating carefully designed, lightweight inter-frame motions, eliminating massive computational redundancy in frame-wise diffusion models. The more sensitive and fine-grained noises are still acquired via later denoising steps, which can be essential to retain visual qualities. As such, deciding which intermediate steps should switch from motion-based propagations to denoising can be a crucial problem and a key tradeoff between efficiency and quality. Dr. Mo employs a meta-network named Denoising Step Selector (DSS) to dynamically determine desirable intermediate steps across video frames. Extensive evaluations on video generation and editing tasks have shown that Dr. Mo can substantially accelerate diffusion models in video tasks with improved visual qualities.

We introduce a language generation task grounded in a popular video game environment. KNUDGE (KNowledge Constrained User-NPC Dialogue GEneration) requires models to produce trees of dialogue between video game characters that accurately reflect quest and entity specifications stated in natural language. KNUDGE is constructed from side quest dialogues drawn directly from game data of Obsidian Entertainment's The Outer Worlds, leading to real-world complexities in generation: (1) dialogues are branching trees as opposed to linear chains of utterances; (2) utterances must remain faithful to the game lore -- character personas, backstories, and entity relationships; and (3) a dialogue must accurately reveal new quest details to the human player. We report results for a set of neural generation models using supervised and in-context learning techniques; we find competent performance but room for future work addressing the challenges of creating realistic, game-quality dialogues.

Diffusion LLMs have emerged as a promising alternative to conventional autoregressive LLMs, offering significant potential for improved runtime efficiency. However, existing diffusion models lack the ability to provably enforce user-specified formal constraints, such as regular expressions, which makes them unreliable for tasks that require structured outputs, such as fixed-schema JSON generation. Unlike autoregressive models that generate tokens sequentially, diffusion LLMs predict a block of tokens in parallel. This parallelism makes traditional constrained decoding algorithms, which are designed for sequential token prediction, ineffective at preserving the true output distribution. To address this limitation, we propose DINGO, a dynamic programming-based constrained decoding strategy that is both efficient and provably distribution-preserving. DINGO enables sampling of output strings with the highest probability under the model's predicted distribution, while strictly satisfying any user-specified regular expression. On standard symbolic math and JSON generation benchmarks, DINGO achieves up to a 68 percentage point improvement over unconstrained inference

The scarcity of domain specific dialogue datasets across various domains, from academic topics to everyday conversations, limits the development of dialogue systems for various applications. Existing research is often constrained either by dialogue datasets that are too general or by niche domain dialogue datasets whose scale does not match the required scale for training dialogue systems. To address this gap, we introduce DiaSynth - a synthetic dialogue generation framework capable of generating high quality, contextually rich dialogues across a wide range of domains. Our approach differs from existing frameworks by dynamically generating dialogues that incorporate simulated personas, subtopics, and diverse conversational characteristics, using a Large Language Model (LLM) with Chain of Thought (CoT) reasoning to create contextually rich, domain-specific dialogues that closely mimic natural human interactions. DiaSynth produces tailored dialogues that emulate realistic conversations. We perform our experiments by generating synthetic data using different LLMs and few-shot examples from DialogSum and SAMSum. The pretrained language models fine-tuned on the synthetic data outperform the base models by 16.47%, while the comparison between models fine-tuned on in-domain data and synthetic data shows that the synthetic data is able to capture 90.48% of the distribution of the in-domain data. The quality of the data generated also scales with the size of LLMs. These results validate DiaSynth's potential as a robust alternative to traditional data collection methods.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

Automatic music generation systems have gained in popularity and sophistication as advances in cloud computing have enabled large-scale complex computations such as deep models and optimization algorithms on personal devices. Yet, they still face an important challenge, that of long-term structure, which is key to conveying a sense of musical coherence. We present the MorpheuS music generation system designed to tackle this problem. MorpheuS' novel framework has the ability to generate polyphonic pieces with a given tension profile and long- and short-term repeated pattern structures. A mathematical model for tonal tension quantifies the tension profile and state-of-the-art pattern detection algorithms extract repeated patterns in a template piece. An efficient optimization metaheuristic, variable neighborhood search, generates music by assigning pitches that best fit the prescribed tension profile to the template rhythm while hard constraining long-term structure through the detected patterns. This ability to generate affective music with specific tension profile and long-term structure is particularly useful in a game or film music context. Music generated by the MorpheuS system has been performed live in concerts.

Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss, and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.

Embodied imitation learning is constrained by the scarcity of diverse, long-horizon robotic manipulation data. Existing video generation models for this domain are limited to synthesizing short clips of simple actions and often rely on manually defined trajectories. To this end, we introduce MIND-V, a hierarchical framework designed to synthesize physically plausible and logically coherent videos of long-horizon robotic manipulation. Inspired by cognitive science, MIND-V bridges high-level reasoning with pixel-level synthesis through three core components: a Semantic Reasoning Hub (SRH) that leverages a pre-trained vision-language model for task planning; a Behavioral Semantic Bridge (BSB) that translates abstract instructions into domain-invariant representations; and a Motor Video Generator (MVG) for conditional video rendering. MIND-V employs Staged Visual Future Rollouts, a test-time optimization strategy to enhance long-horizon robustness. To align the generated videos with physical laws, we introduce a GRPO reinforcement learning post-training phase guided by a novel Physical Foresight Coherence (PFC) reward. PFC leverages the V-JEPA world model to enforce physical plausibility by aligning the predicted and actual dynamic evolutions in the feature space. MIND-V demonstrates state-of-the-art performance in long-horizon robotic manipulation video generation, establishing a scalable and controllable paradigm for embodied data synthesis.

Large language models (LLMs) have shown promising performance across diverse domains. Many practical applications of LLMs, such as code completion and structured data extraction, require adherence to syntactic constraints specified by a formal language. Yet, due to their probabilistic nature, LLM output is not guaranteed to adhere to such formal languages. Prior work has proposed constrained decoding as a means to restrict LLM generation to particular formal languages. However, existing works are not applicable to the emerging paradigm of diffusion LLMs, when used in practical scenarios such as the generation of formally correct C++ or JSON output. In this paper we address this challenge and present the first constrained decoding method for diffusion models, one that can handle formal languages captured by context-free grammars. We begin by reducing constrained decoding to the more general additive infilling problem, which asks whether a partial output can be completed to a valid word in the target language. This problem also naturally subsumes the previously unaddressed multi-region infilling constrained decoding. We then reduce this problem to the task of deciding whether the intersection of the target language and a regular language is empty and present an efficient algorithm to solve it for context-free languages. Empirical results on various applications, such as C++ code infilling and structured data extraction in JSON, demonstrate that our method achieves near-perfect syntactic correctness while consistently preserving or improving functional correctness. Importantly, our efficiency optimizations ensure that the computational overhead remains practical.

Despite recent progress in diffusion models, generating realistic head portraits from novel viewpoints remains a significant challenge. Most current approaches are constrained to limited angular ranges, predominantly focusing on frontal or near-frontal views. Moreover, although the recent emerging large-scale diffusion models have been proven robust in handling 3D scenes, they underperform on facial data, given their complex structure and the uncanny valley pitfalls. In this paper, we propose SpinMeRound, a diffusion-based approach designed to generate consistent and accurate head portraits from novel viewpoints. By leveraging a number of input views alongside an identity embedding, our method effectively synthesizes diverse viewpoints of a subject whilst robustly maintaining its unique identity features. Through experimentation, we showcase our model's generation capabilities in 360 head synthesis, while beating current state-of-the-art multiview diffusion models.

Climate decision making is constrained by the complexity and inaccessibility of key information within lengthy, technical, and multi-lingual documents. Generative AI technologies offer a promising route for improving the accessibility of information contained within these documents, but suffer from limitations. These include (1) a tendency to hallucinate or mis-represent information, (2) difficulty in steering or guaranteeing properties of generated output, and (3) reduced performance in specific technical domains. To address these challenges, we introduce a novel evaluation framework with domain-specific dimensions tailored for climate-related documents. We then apply this framework to evaluate Retrieval-Augmented Generation (RAG) approaches and assess retrieval- and generation-quality within a prototype tool that answers questions about individual climate law and policy documents. In addition, we publish a human-annotated dataset and scalable automated evaluation tools, with the aim of facilitating broader adoption and robust assessment of these systems in the climate domain. Our findings highlight the key components of responsible deployment of RAG to enhance decision-making, while also providing insights into user experience (UX) considerations for safely deploying such systems to build trust with users in high-risk domains.

Knowledge Graphs (KGs) can serve as reliable knowledge sources for question answering (QA) due to their structured representation of knowledge. Existing research on the utilization of KG for large language models (LLMs) prevalently relies on subgraph retriever or iterative prompting, overlooking the potential synergy of LLMs' step-wise reasoning capabilities and KGs' structural nature. In this paper, we present DoG (Decoding on Graphs), a novel framework that facilitates a deep synergy between LLMs and KGs. We first define a concept, well-formed chain, which consists of a sequence of interrelated fact triplets on the KGs, starting from question entities and leading to answers. We argue that this concept can serve as a principle for making faithful and sound reasoning for KGQA. To enable LLMs to generate well-formed chains, we propose graph-aware constrained decoding, in which a constraint derived from the topology of the KG regulates the decoding process of the LLMs. This constrained decoding method ensures the generation of well-formed chains while making full use of the step-wise reasoning capabilities of LLMs. Based on the above, DoG, a training-free approach, is able to provide faithful and sound reasoning trajectories grounded on the KGs. Experiments across various KGQA tasks with different background KGs demonstrate that DoG achieves superior and robust performance. DoG also shows general applicability with various open-source LLMs.

Geographical, physical, or economic constraints often result in missing traces within seismic data, making the reconstruction of complete seismic data a crucial step in seismic data processing. Traditional methods for seismic data reconstruction require the selection of multiple empirical parameters and struggle to handle large-scale continuous missing data. With the development of deep learning, various neural networks have demonstrated powerful reconstruction capabilities. However, these convolutional neural networks represent a point-to-point reconstruction approach that may not cover the entire distribution of the dataset. Consequently, when dealing with seismic data featuring complex missing patterns, such networks may experience varying degrees of performance degradation. In response to this challenge, we propose a novel diffusion model reconstruction framework tailored for 3D seismic data. To constrain the results generated by the diffusion model, we introduce conditional supervision constraints into the diffusion model, constraining the generated data of the diffusion model based on the input data to be reconstructed. We introduce a 3D neural network architecture into the diffusion model, successfully extending the 2D diffusion model to 3D space. Additionally, we refine the model's generation process by incorporating missing data into the generation process, resulting in reconstructions with higher consistency. Through ablation studies determining optimal parameter values, our method exhibits superior reconstruction accuracy when applied to both field datasets and synthetic datasets, effectively addressing a wide range of complex missing patterns. Our implementation is available at https://github.com/WAL-l/SeisFusion.

Existing methods for evaluating graph generative models primarily rely on Maximum Mean Discrepancy (MMD) metrics based on graph descriptors. While these metrics can rank generative models, they do not provide an absolute measure of performance. Their values are also highly sensitive to extrinsic parameters, namely kernel and descriptor parametrization, making them incomparable across different graph descriptors. We introduce PolyGraph Discrepancy (PGD), a new evaluation framework that addresses these limitations. It approximates the Jensen-Shannon distance of graph distributions by fitting binary classifiers to distinguish between real and generated graphs, featurized by these descriptors. The data log-likelihood of these classifiers approximates a variational lower bound on the JS distance between the two distributions. Resulting metrics are constrained to the unit interval [0,1] and are comparable across different graph descriptors. We further derive a theoretically grounded summary metric that combines these individual metrics to provide a maximally tight lower bound on the distance for the given descriptors. Thorough experiments demonstrate that PGD provides a more robust and insightful evaluation compared to MMD metrics. The PolyGraph framework for benchmarking graph generative models is made publicly available at https://github.com/BorgwardtLab/polygraph-benchmark.

Text-driven 3D scene generation holds promise for a wide range of applications, from virtual prototyping to AR/VR and simulation. However, existing methods are often constrained to single-object generation, require domain-specific training, or lack support for full 360-degree viewability. In this work, we present a training-free approach to 3D scene synthesis by repurposing general-purpose text-to-3D object diffusion models as modular tile generators. We reformulate scene generation as a multi-tile denoising problem, where overlapping 3D regions are independently generated and seamlessly blended via weighted averaging. This enables scalable synthesis of large, coherent scenes while preserving local semantic control. Our method eliminates the need for scene-level datasets or retraining, relies on minimal heuristics, and inherits the generalization capabilities of object-level priors. We demonstrate that our approach supports diverse scene layouts, efficient generation, and flexible editing, establishing a simple yet powerful foundation for general-purpose, language-driven 3D scene construction.

Video diffusion models substantially boost the productivity of artistic workflows with high-quality portrait video generative capacity. However, prevailing pipelines are primarily constrained to single-shot creation, while real-world applications urge for multiple shots with identity consistency and flexible content controllability. In this work, we propose EchoShot, a native and scalable multi-shot framework for portrait customization built upon a foundation video diffusion model. To start with, we propose shot-aware position embedding mechanisms within video diffusion transformer architecture to model inter-shot variations and establish intricate correspondence between multi-shot visual content and their textual descriptions. This simple yet effective design enables direct training on multi-shot video data without introducing additional computational overhead. To facilitate model training within multi-shot scenario, we construct PortraitGala, a large-scale and high-fidelity human-centric video dataset featuring cross-shot identity consistency and fine-grained captions such as facial attributes, outfits, and dynamic motions. To further enhance applicability, we extend EchoShot to perform reference image-based personalized multi-shot generation and long video synthesis with infinite shot counts. Extensive evaluations demonstrate that EchoShot achieves superior identity consistency as well as attribute-level controllability in multi-shot portrait video generation. Notably, the proposed framework demonstrates potential as a foundational paradigm for general multi-shot video modeling.

We address a challenging lifelong few-shot image generation task for the first time. In this situation, a generative model learns a sequence of tasks using only a few samples per task. Consequently, the learned model encounters both catastrophic forgetting and overfitting problems at a time. Existing studies on lifelong GANs have proposed modulation-based methods to prevent catastrophic forgetting. However, they require considerable additional parameters and cannot generate high-fidelity and diverse images from limited data. On the other hand, the existing few-shot GANs suffer from severe catastrophic forgetting when learning multiple tasks. To alleviate these issues, we propose a framework called Lifelong Few-Shot GAN (LFS-GAN) that can generate high-quality and diverse images in lifelong few-shot image generation task. Our proposed framework learns each task using an efficient task-specific modulator - Learnable Factorized Tensor (LeFT). LeFT is rank-constrained and has a rich representation ability due to its unique reconstruction technique. Furthermore, we propose a novel mode seeking loss to improve the diversity of our model in low-data circumstances. Extensive experiments demonstrate that the proposed LFS-GAN can generate high-fidelity and diverse images without any forgetting and mode collapse in various domains, achieving state-of-the-art in lifelong few-shot image generation task. Surprisingly, we find that our LFS-GAN even outperforms the existing few-shot GANs in the few-shot image generation task. The code is available at Github.

Visuomotor policies learned from teleoperated demonstrations face challenges such as lengthy data collection, high costs, and limited data diversity. Existing approaches address these issues by augmenting image observations in RGB space or employing Real-to-Sim-to-Real pipelines based on physical simulators. However, the former is constrained to 2D data augmentation, while the latter suffers from imprecise physical simulation caused by inaccurate geometric reconstruction. This paper introduces RoboSplat, a novel method that generates diverse, visually realistic demonstrations by directly manipulating 3D Gaussians. Specifically, we reconstruct the scene through 3D Gaussian Splatting (3DGS), directly edit the reconstructed scene, and augment data across six types of generalization with five techniques: 3D Gaussian replacement for varying object types, scene appearance, and robot embodiments; equivariant transformations for different object poses; visual attribute editing for various lighting conditions; novel view synthesis for new camera perspectives; and 3D content generation for diverse object types. Comprehensive real-world experiments demonstrate that RoboSplat significantly enhances the generalization of visuomotor policies under diverse disturbances. Notably, while policies trained on hundreds of real-world demonstrations with additional 2D data augmentation achieve an average success rate of 57.2%, RoboSplat attains 87.8% in one-shot settings across six types of generalization in the real world.

We present a conditional text generation framework that posits sentential expressions of possible causes and effects. This framework depends on two novel resources we develop in the course of this work: a very large-scale collection of English sentences expressing causal patterns CausalBank; and a refinement over previous work on constructing large lexical causal knowledge graphs Cause Effect Graph. Further, we extend prior work in lexically-constrained decoding to support disjunctive positive constraints. Human assessment confirms that our approach gives high-quality and diverse outputs. Finally, we use CausalBank to perform continued training of an encoder supporting a recent state-of-the-art model for causal reasoning, leading to a 3-point improvement on the COPA challenge set, with no change in model architecture.

Existing diffusion-based video generation methods are fundamentally constrained by sequential computation and long-horizon inconsistency, limiting their practical adoption in real-time, streaming audio-driven avatar synthesis. We present Live Avatar, an algorithm-system co-designed framework that enables efficient, high-fidelity, and infinite-length avatar generation using a 14-billion-parameter diffusion model. Our approach introduces Timestep-forcing Pipeline Parallelism (TPP), a distributed inference paradigm that pipelines denoising steps across multiple GPUs, effectively breaking the autoregressive bottleneck and ensuring stable, low-latency real-time streaming. To further enhance temporal consistency and mitigate identity drift and color artifacts, we propose the Rolling Sink Frame Mechanism (RSFM), which maintains sequence fidelity by dynamically recalibrating appearance using a cached reference image. Additionally, we leverage Self-Forcing Distribution Matching Distillation to facilitate causal, streamable adaptation of large-scale models without sacrificing visual quality. Live Avatar demonstrates state-of-the-art performance, reaching 20 FPS end-to-end generation on 5 H800 GPUs, and, to the best of our knowledge, is the first to achieve practical, real-time, high-fidelity avatar generation at this scale. Our work establishes a new paradigm for deploying advanced diffusion models in industrial long-form video synthesis applications.

Current autoregressive video diffusion models are constrained by three core bottlenecks: (i) the finite temporal horizon imposed by the base model's 3D Rotary Positional Embedding (3D-RoPE), (ii) slow prompt responsiveness in maintaining fine-grained action control during long-form rollouts, and (iii) the inability to realize discontinuous cinematic transitions within a single generation stream. We introduce infty-RoPE, a unified inference-time framework that addresses all three limitations through three interconnected components: Block-Relativistic RoPE, KV Flush, and RoPE Cut. Block-Relativistic RoPE reformulates temporal encoding as a moving local reference frame, where each newly generated latent block is rotated relative to the base model's maximum frame horizon while earlier blocks are rotated backward to preserve relative temporal geometry. This relativistic formulation eliminates fixed temporal positions, enabling continuous video generation far beyond the base positional limits. To obtain fine-grained action control without re-encoding, KV Flush renews the KV cache by retaining only two latent frames, the global sink and the last generated latent frame, thereby ensuring immediate prompt responsiveness. Finally, RoPE Cut introduces controlled discontinuities in temporal RoPE coordinates, enabling multi-cut scene transitions within a single continuous rollout. Together, these components establish infty-RoPE as a training-free foundation for infinite-horizon, controllable, and cinematic video diffusion. Comprehensive experiments show that infty-RoPE consistently surpasses previous autoregressive models in overall VBench scores.

Recent advancements in vision-language models (VLMs) have leveraged large language models (LLMs) to achieve performance on par with closed-source systems like GPT-4V. However, deploying these models in real-world scenarios, particularly on resource-constrained devices, remains challenging due to their substantial computational demands. This has spurred interest in distilling knowledge from large VLMs into smaller, more efficient counterparts. A key challenge arises here from the diversity of VLM architectures, which are built on different LLMs and employ varying token types-differing in vocabulary size, token splits, and token index ordering. To address this challenge of limitation to a specific VLM type, we present Generation after Recalibration (GenRecal), a novel, general-purpose distillation framework for VLMs. GenRecal incorporates a Recalibrator that aligns and adapts feature representations between heterogeneous VLMs, enabling effective knowledge transfer across different types of VLMs. Through extensive experiments on multiple challenging benchmarks, we demonstrate that GenRecal significantly improves baseline performances, eventually outperforming large-scale open- and closed-source VLMs.

Despite impressive recent advances in text-to-image diffusion models, obtaining high-quality images often requires prompt engineering by humans who have developed expertise in using them. In this work, we present NeuroPrompts, an adaptive framework that automatically enhances a user's prompt to improve the quality of generations produced by text-to-image models. Our framework utilizes constrained text decoding with a pre-trained language model that has been adapted to generate prompts similar to those produced by human prompt engineers. This approach enables higher-quality text-to-image generations and provides user control over stylistic features via constraint set specification. We demonstrate the utility of our framework by creating an interactive application for prompt enhancement and image generation using Stable Diffusion. Additionally, we conduct experiments utilizing a large dataset of human-engineered prompts for text-to-image generation and show that our approach automatically produces enhanced prompts that result in superior image quality. We make our code, a screencast video demo and a live demo instance of NeuroPrompts publicly available.

Despite progress in video-to-audio generation, the field focuses predominantly on mono output, lacking spatial immersion. Existing binaural approaches remain constrained by a two-stage pipeline that first generates mono audio and then performs spatialization, often resulting in error accumulation and spatio-temporal inconsistencies. To address this limitation, we introduce the task of end-to-end binaural spatial audio generation directly from silent video. To support this task, we present the BiAudio dataset, comprising approximately 97K video-binaural audio pairs spanning diverse real-world scenes and camera rotation trajectories, constructed through a semi-automated pipeline. Furthermore, we propose ViSAudio, an end-to-end framework that employs conditional flow matching with a dual-branch audio generation architecture, where two dedicated branches model the audio latent flows. Integrated with a conditional spacetime module, it balances consistency between channels while preserving distinctive spatial characteristics, ensuring precise spatio-temporal alignment between audio and the input video. Comprehensive experiments demonstrate that ViSAudio outperforms existing state-of-the-art methods across both objective metrics and subjective evaluations, generating high-quality binaural audio with spatial immersion that adapts effectively to viewpoint changes, sound-source motion, and diverse acoustic environments. Project website: https://kszpxxzmc.github.io/ViSAudio-project.

Generating artistic and coherent 3D scene layouts is crucial in digital content creation. Traditional optimization-based methods are often constrained by cumbersome manual rules, while deep generative models face challenges in producing content with richness and diversity. Furthermore, approaches that utilize large language models frequently lack robustness and fail to accurately capture complex spatial relationships. To address these challenges, this paper presents a novel vision-guided 3D layout generation system. We first construct a high-quality asset library containing 2,037 scene assets and 147 3D scene layouts. Subsequently, we employ an image generation model to expand prompt representations into images, fine-tuning it to align with our asset library. We then develop a robust image parsing module to recover the 3D layout of scenes based on visual semantics and geometric information. Finally, we optimize the scene layout using scene graphs and overall visual semantics to ensure logical coherence and alignment with the images. Extensive user testing demonstrates that our algorithm significantly outperforms existing methods in terms of layout richness and quality. The code and dataset will be available at https://github.com/HiHiAllen/Imaginarium.

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.

We present NNN, an experimental Transformer-based neural network approach to marketing measurement. Unlike Marketing Mix Models (MMMs) which rely on scalar inputs and parametric decay functions, NNN uses rich embeddings to capture both quantitative and qualitative aspects of marketing and organic channels (e.g., search queries, ad creatives). This, combined with its attention mechanism, potentially enables NNN to model complex interactions, capture long-term effects, and improve sales attribution accuracy. We show that L1 regularization permits the use of such expressive models in typical data-constrained settings. Evaluating NNN on simulated and real-world data demonstrates its efficacy, particularly through considerable improvement in predictive power. In addition to marketing measurement, the NNN framework can provide valuable, complementary insights through model probing, such as evaluating keyword or creative effectiveness.

Temporal Video Grounding (TVG) aims to precisely localize video segments corresponding to natural language queries, which is a critical capability for long-form video understanding. Although existing reinforcement learning approaches encourage models to generate reasoning chains before predictions, they fail to explicitly constrain the reasoning process to ensure the quality of the final temporal predictions. To address this limitation, we propose Timestamp Anchor-constrained Reasoning for Temporal Video Grounding (TAR-TVG), a novel framework that introduces timestamp anchors within the reasoning process to enforce explicit supervision to the thought content. These anchors serve as intermediate verification points. More importantly, we require each reasoning step to produce increasingly accurate temporal estimations, thereby ensuring that the reasoning process contributes meaningfully to the final prediction. To address the challenge of low-probability anchor generation in models (e.g., Qwen2.5-VL-3B), we develop an efficient self-distillation training strategy: (1) initial GRPO training to collect 30K high-quality reasoning traces containing multiple timestamp anchors, (2) supervised fine-tuning (SFT) on distilled data, and (3) final GRPO optimization on the SFT-enhanced model. This three-stage training strategy enables robust anchor generation while maintaining reasoning quality. Experiments show that our model achieves state-of-the-art performance while producing interpretable, verifiable reasoning chains with progressively refined temporal estimations.

As deep learning models scale, their training cost has surged significantly. Due to both hardware advancements and limitations in current software stacks, the need for data efficiency has risen. Data efficiency refers to the effective hiding of data access latency and the avoidance of unnecessary data movements. Major challenges arise from the growing disparity between GPU memory bandwidth and computational throughput, imminent GPU memory capacity limitations, and inefficiencies in the PyTorch software stack, including a lack of device-specific PCIe transfer optimizations and high-level domain-specific abstractions. To effectively mitigate these data inefficiencies for deep learning training, this dissertation analyzes data inefficiency in representative deep training tasks, specifically in graph neural networks (GNNs) and large language models (LLMs). It then proposes novel runtime and code generation techniques to mitigate these challenges and implements these optimizations seamlessly within the PyTorch stack while maintaining strong programmability and interoperability. First, PyTorch-Direct is devised to incorporate the GPU-centric PCIe data transfer paradigm in PyTorch for GNN training. Next, Hector intermediate representation (IR) and its code generator are proposed to introduce domain-specific high-level abstraction and systematically address memory-intensive performance challenges for relational GNNs. Finally, in LLM training, the throughput has been increasingly constrained by GPU memory capacity. To mitigate this, the SSDTrain offloading framework is designed and implemented. Together, these contributions show that code generation and runtime techniques can systematically mitigate the data management bottlenecks in deep learning training, which stem from the data-intensive nature of workloads and the oversimplification inherent in the deep learning training software stack.

Polymeric nano- and micro-scale particles have critical roles in tackling critical healthcare and energy challenges with their miniature characteristics. However, tailoring their synthesis process to meet specific design targets has traditionally depended on domain expertise and costly trial-and-errors. Recently, modeling strategies, particularly Bayesian optimization (BO), have been proposed to aid materials discovery for maximized/minimized properties. Coming from practical demands, this study for the first time integrates constrained and composite Bayesian optimization (CCBO) to perform efficient target value optimization under black-box feasibility constraints and limited data for laboratory experimentation. Using a synthetic problem that simulates electrospraying, a model nanomanufacturing process, CCBO strategically avoided infeasible conditions and efficiently optimized particle production towards predefined size targets, surpassing standard BO pipelines and providing decisions comparable to human experts. Further laboratory experiments validated CCBO capability to guide the rational synthesis of poly(lactic-co-glycolic acid) (PLGA) particles with diameters of 300 nm and 3.0 mum via electrospraying. With minimal initial data and unknown experiment constraints, CCBO reached the design targets within 4 iterations. Overall, the CCBO approach presents a versatile and holistic optimization paradigm for next-generation target-driven particle synthesis empowered by artificial intelligence (AI).

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.

Large Language Models (LLMs) are constrained by outdated information and a tendency to generate incorrect data, commonly referred to as "hallucinations." Retrieval-Augmented Generation (RAG) addresses these limitations by combining the strengths of retrieval-based methods and generative models. This approach involves retrieving relevant information from a large, up-to-date dataset and using it to enhance the generation process, leading to more accurate and contextually appropriate responses. Despite its benefits, RAG introduces a new attack surface for LLMs, particularly because RAG databases are often sourced from public data, such as the web. In this paper, we propose to identify the vulnerabilities and attacks on retrieval parts (RAG database) and their indirect attacks on generative parts (LLMs). Specifically, we identify that poisoning several customized content passages could achieve a retrieval backdoor, where the retrieval works well for clean queries but always returns customized poisoned adversarial queries. Triggers and poisoned passages can be highly customized to implement various attacks. For example, a trigger could be a semantic group like "The Republican Party, Donald Trump, etc." Adversarial passages can be tailored to different contents, not only linked to the triggers but also used to indirectly attack generative LLMs without modifying them. These attacks can include denial-of-service attacks on RAG and semantic steering attacks on LLM generations conditioned by the triggers. Our experiments demonstrate that by just poisoning 10 adversarial passages can induce 98.2\% success rate to retrieve the adversarial passages. Then, these passages can increase the reject ratio of RAG-based GPT-4 from 0.01\% to 74.6\% or increase the rate of negative responses from 0.22\% to 72\% for targeted queries.

We present 1-Pager the first system that answers a question and retrieves evidence using a single Transformer-based model and decoding process. 1-Pager incrementally partitions the retrieval corpus using constrained decoding to select a document and answer string, and we show that this is competitive with comparable retrieve-and-read alternatives according to both retrieval and answer accuracy metrics. 1-Pager also outperforms the equivalent closed-book question answering model, by grounding predictions in an evidence corpus. While 1-Pager is not yet on-par with more expensive systems that read many more documents before generating an answer, we argue that it provides an important step toward attributed generation by folding retrieval into the sequence-to-sequence paradigm that is currently dominant in NLP. We also show that the search paths used to partition the corpus are easy to read and understand, paving a way forward for interpretable neural retrieval.

Large Language Models (LLMs) have demonstrated remarkable human-level natural language generation capabilities. However, their potential to generate misinformation, often called the hallucination problem, poses a significant risk to their deployment. A common approach to address this issue is to retrieve relevant knowledge and fine-tune the LLM with the knowledge in its input. Unfortunately, this method incurs high training costs and may cause catastrophic forgetting for multi-tasking models. To overcome these limitations, we propose a knowledge-constrained decoding method called KCTS (Knowledge-Constrained Tree Search), which guides a frozen LM to generate text aligned with the reference knowledge at each decoding step using a knowledge classifier score and MCTS (Monte-Carlo Tree Search). To adapt the sequence-level knowledge classifier to token-level guidance, we also propose a novel token-level hallucination detection method called RIPA (Reward Inflection Point Approximation). Our empirical results on knowledge-grounded dialogue and abstractive summarization demonstrate the strength of KCTS as a plug-and-play, model-agnostic decoding method that can effectively reduce hallucinations in natural language generation.

Socratic questioning is an educational method that allows students to discover answers to complex problems by asking them a series of thoughtful questions. Generation of didactically sound questions is challenging, requiring understanding of the reasoning process involved in the problem. We hypothesize that such questioning strategy can not only enhance the human performance, but also assist the math word problem (MWP) solvers. In this work, we explore the ability of large language models (LMs) in generating sequential questions for guiding math word problem-solving. We propose various guided question generation schemes based on input conditioning and reinforcement learning. On both automatic and human quality evaluations, we find that LMs constrained with desirable question properties generate superior questions and improve the overall performance of a math word problem solver. We conduct a preliminary user study to examine the potential value of such question generation models in the education domain. Results suggest that the difficulty level of problems plays an important role in determining whether questioning improves or hinders human performance. We discuss the future of using such questioning strategies in education.

This technical report presents a cost-efficient strategy for training a video generation foundation model. We present a mid-sized research model with approximately 7 billion parameters (7B) called Seaweed-7B trained from scratch using 665,000 H100 GPU hours. Despite being trained with moderate computational resources, Seaweed-7B demonstrates highly competitive performance compared to contemporary video generation models of much larger size. Design choices are especially crucial in a resource-constrained setting. This technical report highlights the key design decisions that enhance the performance of the medium-sized diffusion model. Empirically, we make two observations: (1) Seaweed-7B achieves performance comparable to, or even surpasses, larger models trained on substantially greater GPU resources, and (2) our model, which exhibits strong generalization ability, can be effectively adapted across a wide range of downstream applications either by lightweight fine-tuning or continue training. See the project page at https://seaweed.video/

Visual effects (VFX) are essential visual enhancements fundamental to modern cinematic production. Although video generation models offer cost-efficient solutions for VFX production, current methods are constrained by per-effect LoRA training, which limits generation to single effects. This fundamental limitation impedes applications that require spatially controllable composite effects, i.e., the concurrent generation of multiple effects at designated locations. However, integrating diverse effects into a unified framework faces major challenges: interference from effect variations and spatial uncontrollability during multi-VFX joint training. To tackle these challenges, we propose Omni-Effects, a first unified framework capable of generating prompt-guided effects and spatially controllable composite effects. The core of our framework comprises two key innovations: (1) LoRA-based Mixture of Experts (LoRA-MoE), which employs a group of expert LoRAs, integrating diverse effects within a unified model while effectively mitigating cross-task interference. (2) Spatial-Aware Prompt (SAP) incorporates spatial mask information into the text token, enabling precise spatial control. Furthermore, we introduce an Independent-Information Flow (IIF) module integrated within the SAP, isolating the control signals corresponding to individual effects to prevent any unwanted blending. To facilitate this research, we construct a comprehensive VFX dataset Omni-VFX via a novel data collection pipeline combining image editing and First-Last Frame-to-Video (FLF2V) synthesis, and introduce a dedicated VFX evaluation framework for validating model performance. Extensive experiments demonstrate that Omni-Effects achieves precise spatial control and diverse effect generation, enabling users to specify both the category and location of desired effects.

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/.

Generating high-quality 3D content from text, single images, or sparse view images remains a challenging task with broad applications.Existing methods typically employ multi-view diffusion models to synthesize multi-view images, followed by a feed-forward process for 3D reconstruction. However, these approaches are often constrained by a small and fixed number of input views, limiting their ability to capture diverse viewpoints and, even worse, leading to suboptimal generation results if the synthesized views are of poor quality. To address these limitations, we propose Flex3D, a novel two-stage framework capable of leveraging an arbitrary number of high-quality input views. The first stage consists of a candidate view generation and curation pipeline. We employ a fine-tuned multi-view image diffusion model and a video diffusion model to generate a pool of candidate views, enabling a rich representation of the target 3D object. Subsequently, a view selection pipeline filters these views based on quality and consistency, ensuring that only the high-quality and reliable views are used for reconstruction. In the second stage, the curated views are fed into a Flexible Reconstruction Model (FlexRM), built upon a transformer architecture that can effectively process an arbitrary number of inputs. FlemRM directly outputs 3D Gaussian points leveraging a tri-plane representation, enabling efficient and detailed 3D generation. Through extensive exploration of design and training strategies, we optimize FlexRM to achieve superior performance in both reconstruction and generation tasks. Our results demonstrate that Flex3D achieves state-of-the-art performance, with a user study winning rate of over 92% in 3D generation tasks when compared to several of the latest feed-forward 3D generative models.

The increasing demand for immersive AR/VR applications and spatial intelligence has heightened the need to generate high-quality scene-level and 360{\deg} panoramic video. However, most video diffusion models are constrained by limited resolution and aspect ratio, which restricts their applicability to scene-level dynamic content synthesis. In this work, we propose the DynamicScaler, addressing these challenges by enabling spatially scalable and panoramic dynamic scene synthesis that preserves coherence across panoramic scenes of arbitrary size. Specifically, we introduce a Offset Shifting Denoiser, facilitating efficient, synchronous, and coherent denoising panoramic dynamic scenes via a diffusion model with fixed resolution through a seamless rotating Window, which ensures seamless boundary transitions and consistency across the entire panoramic space, accommodating varying resolutions and aspect ratios. Additionally, we employ a Global Motion Guidance mechanism to ensure both local detail fidelity and global motion continuity. Extensive experiments demonstrate our method achieves superior content and motion quality in panoramic scene-level video generation, offering a training-free, efficient, and scalable solution for immersive dynamic scene creation with constant VRAM consumption regardless of the output video resolution. Our project page is available at https://dynamic-scaler.pages.dev/.

Large Language Models (LLMs) have revolutionized artificial intelligence (AI) by enabling human like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic, real time queries, resulting in outdated or inaccurate outputs. Retrieval Augmented Generation (RAG) has emerged as a solution, enhancing LLMs by integrating real time data retrieval to provide contextually relevant and up-to-date responses. Despite its promise, traditional RAG systems are constrained by static workflows and lack the adaptability required for multistep reasoning and complex task management. Agentic Retrieval-Augmented Generation (Agentic RAG) transcends these limitations by embedding autonomous AI agents into the RAG pipeline. These agents leverage agentic design patterns reflection, planning, tool use, and multiagent collaboration to dynamically manage retrieval strategies, iteratively refine contextual understanding, and adapt workflows to meet complex task requirements. This integration enables Agentic RAG systems to deliver unparalleled flexibility, scalability, and context awareness across diverse applications. This survey provides a comprehensive exploration of Agentic RAG, beginning with its foundational principles and the evolution of RAG paradigms. It presents a detailed taxonomy of Agentic RAG architectures, highlights key applications in industries such as healthcare, finance, and education, and examines practical implementation strategies. Additionally, it addresses challenges in scaling these systems, ensuring ethical decision making, and optimizing performance for real-world applications, while providing detailed insights into frameworks and tools for implementing Agentic RAG.

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is constrained by context length and requires separate, often inefficient, retrieval mechanisms. We introduce ToolGen, a paradigm shift that integrates tool knowledge directly into the LLM's parameters by representing each tool as a unique token. This enables the LLM to generate tool calls and arguments as part of its next token prediction capabilities, seamlessly blending tool invocation with language generation. Our framework allows the LLM to access and utilize a vast amount of tools with no additional retrieval step, significantly enhancing both performance and scalability. Experimental results with over 47,000 tools show that ToolGen not only achieves superior results in both tool retrieval and autonomous task completion but also sets the stage for a new era of AI agents that can adapt to tools across diverse domains. By fundamentally transforming tool retrieval into a generative process, ToolGen paves the way for more versatile, efficient, and autonomous AI systems. ToolGen enables end-to-end tool learning and opens opportunities for integration with other advanced techniques such as chain-of-thought and reinforcement learning, thereby expanding the practical capabilities of LLMs.

Personalized content filtering, such as recommender systems, has become a critical infrastructure to alleviate information overload. However, these systems merely filter existing content and are constrained by its limited diversity, making it difficult to meet users' varied content needs. To address this limitation, personalized content generation has emerged as a promising direction with broad applications. Nevertheless, most existing research focuses on personalized text generation, with relatively little attention given to personalized image generation. The limited work in personalized image generation faces challenges in accurately capturing users' visual preferences and needs from noisy user-interacted images and complex multimodal instructions. Worse still, there is a lack of supervised data for training personalized image generation models. To overcome the challenges, we propose a Personalized Image Generation Framework named Pigeon, which adopts exceptional large multimodal models with three dedicated modules to capture users' visual preferences and needs from noisy user history and multimodal instructions. To alleviate the data scarcity, we introduce a two-stage preference alignment scheme, comprising masked preference reconstruction and pairwise preference alignment, to align Pigeon with the personalized image generation task. We apply Pigeon to personalized sticker and movie poster generation, where extensive quantitative results and human evaluation highlight its superiority over various generative baselines.

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and learns the inverse map using an E(n)-Equivariant Graph Neural Network (EGNN). The induced point cloud-structured latent space is well-suited to apply existing 3D molecular generative models. This approach simplifies the graph generation problem - without relying on molecular fragments nor autoregressive decoding - into a point cloud generation problem followed by node and edge classification tasks. Further, we propose a novel similarity-constrained optimization scheme for 3D diffusion models based on inpainting and guidance. As a concrete implementation of our framework, we develop EDM-SyCo based on the E(3) Equivariant Diffusion Model (EDM). EDM-SyCo achieves state-of-the-art performance in distribution learning of molecular graphs, outperforming the best non-autoregressive methods by more than 30% on ZINC250K and 16% on the large-scale GuacaMol dataset while improving conditional generation by up to 3.9 times.

Retrieval augmented generation (RAG) provides the capability to constrain generative model outputs, and mitigate the possibility of hallucination, by providing relevant in-context text. The number of tokens a generative large language model (LLM) can incorporate as context is finite, thus limiting the volume of knowledge from which to generate an answer. We propose a two-layer RAG framework for query-focused answer generation and evaluate a proof-of-concept for this framework in the context of query-focused summary generation from social media forums, focusing on emerging drug-related information. The evaluations demonstrate the effectiveness of the two-layer framework in resource constrained settings to enable researchers in obtaining near real-time data from users.

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative diffusion models as a constrained optimization problem, steering the generated data distribution to remain within a specified region to ensure adherence to the given constraints. These capabilities are validated on applications featuring both convex and challenging, non-convex, constraints as well as ordinary differential equations, in domains spanning from synthesizing new materials with precise morphometric properties, generating physics-informed motion, optimizing paths in planning scenarios, and human motion synthesis.

Transformer-based large language models (LLMs) are constrained by the fixed context window of the underlying transformer architecture, hindering their ability to produce long and coherent outputs. Memory-augmented LLMs are a promising solution, but current approaches cannot handle long output generation tasks since they (1) only focus on reading memory and reduce its evolution to the concatenation of new memories or (2) use very specialized memories that cannot adapt to other domains. This paper presents L2MAC, the first practical LLM-based general-purpose stored-program automatic computer (von Neumann architecture) framework, an LLM-based multi-agent system, for long and consistent output generation. Its memory has two components: the instruction registry, which is populated with a prompt program to solve the user-given task, and a file store, which will contain the final and intermediate outputs. Each instruction in turn is executed by a separate LLM agent, whose context is managed by a control unit capable of precise memory reading and writing to ensure effective interaction with the file store. These components enable L2MAC to generate extensive outputs, bypassing the constraints of the finite context window while producing outputs that fulfill a complex user-specified task. We empirically demonstrate that L2MAC achieves state-of-the-art performance in generating large codebases for system design tasks, significantly outperforming other coding methods in implementing the detailed user-specified task; we show that L2MAC works for general-purpose extensive text-based tasks, such as writing an entire book; and we provide valuable insights into L2MAC's performance improvement over existing methods.

Goal-conditioned hierarchical reinforcement learning (HRL) is a promising approach for scaling up reinforcement learning (RL) techniques. However, it often suffers from training inefficiency as the action space of the high-level, i.e., the goal space, is often large. Searching in a large goal space poses difficulties for both high-level subgoal generation and low-level policy learning. In this paper, we show that this problem can be effectively alleviated by restricting the high-level action space from the whole goal space to a k-step adjacent region of the current state using an adjacency constraint. We theoretically prove that the proposed adjacency constraint preserves the optimal hierarchical policy in deterministic MDPs, and show that this constraint can be practically implemented by training an adjacency network that can discriminate between adjacent and non-adjacent subgoals. Experimental results on discrete and continuous control tasks show that incorporating the adjacency constraint improves the performance of state-of-the-art HRL approaches in both deterministic and stochastic environments.