论文检索

Kangyu Wang, Zhiyun Jiang, Haibo Feng, Weijia Zhao, Lin Liu, Jianguo Li, Zhenzhong Lan, Weiyao Lin

Diffusion large language models (dLLMs) generate text through iterative denoising. In commonly adopted parallel decoding schemes, each step confirms only high-confidence positions while remasking the others. By analyzing dLLM denoising traces, we uncover a key inefficiency: models often predict the correct target token several steps before its confidence becomes high enough to be decoded. This gap between early prediction and late decoding forces repeated remasking of already-correct tokens, causing redundant iterations and limiting acceleration. To exploit this temporal redundancy, we introduce Trace Credit to quantify a token’s decoding potential by accumulating historical evidence. Building on this, we propose CreditDecoding, a training-free parallel decoding method that fuses Trace Credit with current logits to boost the confidence of correct but underconfident tokens, thereby accelerating denoising and improving robustness. On eight benchmarks, CreditDecoding achieves up to 5.48 times speedup with +0.48 accuracy on LLaDA-8B and consistently improves performance across diverse dLLM architectures and parameter scales. It further scales to long contexts and remains orthogonal to mainstream inference optimizations, making it a practical and widely applicable solution.

Nianyi Lin, Jiajie Zhang, Lei Hou, Juanzi Li

A key challenge in applying reinforcement learning (RL) to diffusion large language models (dLLMs) is the intractability of their likelihood functions, which are essential for the RL objective, necessitating corresponding approximation during training. While existing methods approximate the log-likelihoods by their evidence lower bounds (ELBOs) via customized Monte Carlo (MC) sampling, they incur significant memory overhead due to the need to retain all MC samples for the gradient computation of non-linear terms in the RL objective, and thus restrict feasible sample sizes, leading to imprecise likelihood approximations and distorted RL objective. To address this, we propose Boundary-Guided Policy Optimization (BGPO), a memory-efficient RL algorithm that maximizes a specially constructed lower bound of the ELBO-based objective. This lower bound is carefully designed to satisfy two key properties: (1) Linearity: it is a linear sum where each term depends only on a single MC sample, thereby enabling gradient accumulation across samples and ensuring constant memory usage; (2) Equivalence: Both the value and gradient of this lower bound are equal to those of the ELBO-based objective in on-policy training, making it also an effective approximation for the original RL objective. These properties allow BGPO to adopt a large MC sample size, improving likelihood approximations and RL objective estimation, which in turn leads to enhanced performance. Experiments show that BGPO significantly outperforms previous RL algorithms for dLLMs in math problem solving, code generation, and planning tasks.

Hao Li, Yizheng Sun, Viktor Schlegel, Kailai Yang, Riza Batista-Navarro, Goran Nenadic

Argument summarization aims to generate concise, structured representations of complex, multi-perspective debates. While recent work has advanced the identification and clustering of argumentative components, the generation stage remains underexplored. Existing approaches typically rely on single-pass generation, offering limited support for factual correction or structural refinement. To address this gap, we introduce Arg-LLaDA, a novel large language diffusion framework that iteratively improves summaries via sufficiency-guided remasking and regeneration. Our method combines a flexible masking controller with a sufficiency-checking module to identify and revise unsupported, redundant, or incomplete spans—yielding more faithful, concise, and coherent outputs. Empirical results on two benchmark datasets demonstrate that Arg-LLaDA surpasses state-of-the-art baselines in 7 out of 10 automatic evaluation metrics. In addition, human evaluations reveal substantial improvements across core dimensions, coverage, faithfulness, and conciseness,validating the effectiveness of our iterative, sufficiency-aware generation strategy.

Linhao Zhong, Linyu Wu, Bozhen Fang, Tianjian Feng, Chenchen Jing, Wen Wang, Jiaheng Zhang, Hao Chen, Chunhua Shen

Diffusion Language Models (DLMs) offer a promising alternative for language modeling by enabling parallel decoding through iterative refinement. However, most DLMs rely on hard binary masking and discrete token assignments, which hinder the revision of early decisions and underutilize intermediate probabilistic representations. In this paper, we propose EvoToken-DLM, a novel diffusion-based language modeling approach that replaces hard binary masks with evolving soft token distributions. EvoToken-DLM enables a progressive transition from masked states to discrete outputs, supporting revisable decoding. To effectively support this evolution, we introduce continuous trajectory supervision, which aligns training objectives with iterative probabilistic updates. Extensive experiments across multiple benchmarks show that EvoToken-DLM consistently achieves superior performance, outperforming strong diffusion-based and masked DLM baselines. Our code is available at https://github.com/aim-uofa/EvoTokenDLM.

Pengcheng Huang, Tianming Liu, Zhenghao Liu, Yukun Yan, Shuo Wang, Tong Xiao, Zulong Chen, Maosong Sun

Masked Diffusion Models (MDMs) have recently emerged as a promising non-autoregressive paradigm for sequence generation. However, their performance is highly sensitive to the choice of decoding strategy. In this work, we reveal that prevalent uncertainty-based decoding strategies induce two decoding biases in MDMs: rigid boundary bias and trivial token bias. These biases limit the model’s reasoning ability and ultimately degrade generation quality. To address these challenges, we propose UNmasking Calibration for DecOding DEbiasing (UNCODE), a decoding calibration framework that regularizes uncertainty-based decoding by incorporating two complementary priors to shape global decoding trajectories and promote content informativeness. Extensive experiments on three advanced MDMs across seven reasoning- and planning-intensive benchmarks demonstrate that UNCODE consistently outperforms existing decoding strategies by more than 7%, while achieving performance comparable to autoregressive models of similar parameter scales. The code is publicly available at https://github.com/NEUIR/Uncode.

Xinchen Ma, Gaole He, Yunshi Lan, Weining Qian

Despite recent progress in LLMs for text style transfer, most existing methods rely on costly task-specific training and offer limited control over separating stylistic modification from content preservation. We propose Diff4TST, a diffusion-based language model that formulates text style transfer as an explicit copy-and-edit process. Built upon masked diffusion language models, Diff4TST introduces a style-aware noise schedule that selectively perturbs stylistic tokens while preserving content-bearing tokens during supervised fine-tuning.At inference time, we further introduce a generate-then-refine strategy that iteratively improves style compliance via gradient-based token re-masking, without reinforcement learning or external reward models. Extensive experiments on both fine-grained and polarity-based benchmarks show that Diff4TST achieves substantially improved style accuracy and controllability while maintaining strong content preservation and fluency. These results suggest diffusion-based language models as a principled and effective alternative to autoregressive pipelines for text style transfer.

Linhao Zhong, Linyu Wu, Wen Wang, Yuling Xi, Chenchen Jing, Jiaheng Zhang, Hao Chen, Chunhua Shen

Diffusion large language models (dLLMs) have recently attracted significant attention for their ability to enhance diversity, controllability, and parallelism. However, their non-sequential, bidirectionally masked generation makes quality assessment difficult, underscoring the need for effective self-evaluation. In this work, we propose DiSE, a simple yet effective self-evaluation confidence quantification method for dLLMs. DiSE quantifies confidence by computing the probability of regenerating the tokens in the entire generated sequence, given the full context. This method enables more efficient and reliable quality assessment by leveraging token regeneration probabilities, facilitating both likelihood estimation and robust uncertainty quantification. Building upon DiSE, we further introduce a flexible-length generation framework, which adaptively controls the sequence length based on the model’s self-assessment of its own output. We analyze and validate the feasibility of DiSE from the perspective of dLLM generalization, and empirically demonstrate that DiSE is positively correlated with both semantic coherence and answer accuracy. Extensive experiments on likelihood evaluation, uncertainty quantification, and flexible-length generation further confirm the effectiveness of the proposed DiSE.

Junhoo Lee, Seungyeon Kim, Nojun Kwak

Diffusion Language Models (DLMs) have emerged as a promising alternative to Autoregressive Language Models, yet their inference strategies largely rely on prefix-based prompting inherited from the autoregressive paradigm. In this paper, we propose Template Infilling (TI), a conditioning methodology tailored for DLMs. Unlike conventional prefix prompting, TI distributes structural anchors across the target response, establishing a global template before infilling masked segments. This enables structured conditioning that leverages the bidirectional generation process of DLMs. We evaluate TI on diverse benchmarks, including mathematical reasoning, code generation, and trip planning, achieving consistent improvements of 9.40%p over baseline prompting strategies. Furthermore, TI naturally supports multi-token generation settings, providing practical speed advantages while maintaining generation quality and robustness. Overall, our results highlight a DLM-specific conditioning paradigm for structured generation, suggesting a promising direction for inference methods tailored to diffusion-based language models.

Hao Fang, Xiaohang Sui, Hongyao Yu, Kuofeng Gao, Jiawei Kong, Sijin Yu, Bin Chen, Shu-Tao Xia

Diffusion models (DMs) have recently exhibited impressive generation capability. However, their training generally requires huge computational resources and large-scale datasets. To solve these, recent studies empower DMs with Retrieval-Augmented Generation (RAG), yielding retrieval-augmented diffusion models (RDMs) that enhance performance with reduced parameters. Despite the success, RAG may introduce novel security issues that warrant further investigation. In this paper, we propose BadRDM, the first poisoning framework targeting RDMs, to systematically investigate their vulnerability to backdoor attacks. Our framework fully considers RAG’s characteristics by manipulating the retrieved items for specific text triggers to ultimately control the generated outputs. Specifically, we first insert a tiny portion of images into the retrieval database as target toxicity surrogates. We then exploit the contrastive learning mechanism underlying retrieval models by designing a malicious variant that establishes robust shortcuts from triggers to toxicity surrogates. In addition, we introduce novel entropy-based selection and generative augmentation strategies for better toxicity surrogates. Extensive experiments on two mainstream tasks show that the proposed method achieves outstanding attack effects while preserving benign utility. Notably, BadRDM remains effective even under common defense strategies, further highlighting serious security concerns for RDMs.

Ye Wang, Qianglong Chen, Siyuan Wang, Zejun Li, Shijie Guo, Zhirui Zhang, Zhongyu Wei

Multimodal Large Language Models (MLLMs) have achieved strong performance on vision-language tasks, yet often fail to preserve and effectively leverage visual evidence throughout generation. We identify three fundamental types of visual grounding failures: Long-Context Grounding Error, where visual information gradually decays over long sequences; Fine-Grained Grounding Error, where low-resolution or degraded inputs hinder the recovery of detailed visual information; and Regional Grounding Error, where spatially diffuse attention weakens region-level vision-language alignment. To address these issues, we propose a tool-augmented reasoning framework with three targeted compensation strategies: reuse, which re-injects the original image to mitigate visual forgetting; focus_area, which constrains attention to task-relevant regions; and zoom_in, which enhances visual resolution for fine-grained perception. We further construct the TWI-Tools-146K dataset and develop Simple-VGC, a tool-augmented MLLM that interleaves visual and textual tokens. Extensive experiments show that each tool yields targeted improvements for its corresponding grounding error, while their combination produces synergistic gains in visual reasoning. Beyond performance, our analysis provides mechanistic insights into how tool-based interventions improve visual grounding, pointing toward more reliable multimodal reasoning.

Joonhyung Park, Jaeyun Song, Sihwan Park, Eunho Yang

Recent proprietary video generation models have demonstrated remarkable proficiency in synthesizing highly realistic videos from textual instructions. Most open-source text-to-video models, however, still struggle to accurately simulate real-world physics and dynamic entity interactions. Existing approaches rely on scaling laws and large-scale, high-quality video datasets to implicitly learn physical dynamics, yet this paradigm is constrained by prohibitive costs and the burdensome demands of data curation. Motivated by this, we propose a novel framework that integrates graph-structured temporal knowledge into video latent diffusion models to enhance compositional generation and interaction fidelity. Our framework constructs video scene graphs specifically designed to capture entity relationships, temporal dynamics, and global scene context. These graph-structured representations guide the generation process through cross-attention mechanisms. Additionally, we introduce Graph-Aligned Denoising Loss (GADL), a training objective that ensures adherence to conditioned graphs by incorporating node modification tasks within the denoising process, leveraging synchronized edited video-graph pairs. Comprehensive evaluations demonstrate that incorporating graph-structured knowledge significantly enhances compositionality and the accurate portrayal of real-world interactions in generated videos.

Yihong Dong, Zhaoyu Ma, Xue Jiang, Zhiyuan Fan, Jiaru Qian, Yongmin Li, Jianha Xiao, Zhi Jin, Ge Li

Diffusion language models (DLMs) are emerging as a compelling alternative to the dominant autoregressive paradigm, offering inherent advantages in parallel generation and bidirectional context modeling. However, for the tasks with strict structural constraints such as code generation, DLMs face a critical trade-off between inference speed and output quality, where accelerating generation by reducing sampling steps often leads to catastrophic performance collapse.We find that the fundamental reasons are: 1) the generation difficulty is uneven in the structured sequence decoding steps, making DLM’s static acceleration strategy suboptimal; 2) the context of tokens generated by DLM evolves continuously, causing early high-confidence predictions to turn into irreversible errors.In this paper, we introduce efficient **S**ampling with **A**daptive acceleration and **B**acktracking **E**nhanced **R**emasking (i.e., **Saber**), a novel training-free sampling algorithm for DLMs that the first to improve both inference speed and output quality in code generation. Saber dynamically adjusts the number of tokens unmasked per step based on the model’s evolving confidence, and utilizes a backtracking mechanism to revert tokens whose confidence drops as new context emerges, with its effectiveness supported by theoretical analysis.Extensive experiments on multiple mainstream code generation benchmarks show that Saber boosts Pass@1 accuracy by an average of 1.9% over mainstream DLM sampling methods, while achieving an average 251.4% inference speedup. By leveraging the inherent advantages of DLMs, our work significantly narrows the performance gap with autoregressive models in code generation.

Peixuan Zhang, Zijian Jia, Ziqi Cai, Shuchen Weng, Si Li, Boxin Shi

Effective poster design requires rapidly capturing attention and clearly conveying messages. Inspired by the “contrast effects” principle, we propose ReContraster, the first training-free model to leverage regional contrast to make posters stand out. By emulating the cognitive behaviors of a poster designer, ReContraster introduces the compositional multi-agent system to identify elements, organize layout, and evaluate generated poster candidates. To further ensure harmonious transitions across region boundaries, ReContraster integrates the hybrid denoising strategy during the diffusion process. We additionally contribute a new benchmark dataset for comprehensive evaluation. Seven quantitative metrics and four user studies confirm its superiority over relevant state-of-the-art methods, producing visually striking and aesthetically appealing posters.

Yuxuan Jiang, Zehua Chen, Zeqian Ju, Yusheng Dai, Weibei Dou, Jun Zhu

Recent efforts on text-to-audio (TTA) generation are starting to explore fine-grained controllability, e.g., precise timing control, with innovations on conditioning techniques or training-free latent manipulations. However, constrained by data scarcity, their generation performance at scale is still limited. In this study, we recast high-controllability TTA generation as a multi-task learning problem, and introduce a progressive diffusion modeling approach, ControlAudio. Our method adeptly fits distributions conditioned on fine-grained information, including text, timing, and phoneme features, through a step-by-step strategy. First, we propose a data construction method spanning both annotation and simulation, augmenting condition information in the sequence of text, timing, and phoneme. Second, at the model training stage, we pretrain a scalable diffusion transformer (DiT) on large-scale text-audio pairs, achieving high-fidelity TTA generation, and then incrementally integrate the timing and phoneme features, expanding controllability. Finally, at the inference stage, we propose progressively guided generation, which sequentially emphasizes more fine-grained information, aligning inherently with the coarse-to-fine sampling nature of DiT. Extensive experiments show that ControlAudio achieves state-of-the-art performance in terms of temporal accuracy and speech clarity, significantly outperforming existing methods on both objective and subjective evaluations. Demo samples are available at: https://control-audio.github.io/Control-Audio.

Xiaoyang Yi, Jing Chen, Yuru Bao, Jian Zhang

Referring multimodal large language models enable users to ground queries to specific image regions via spatial prompts, supporting fine-grained referring dialogue. However, existing methods rely on extensive fine-tuning to mitigate attention distraction, which incurs high computational costs and limits adaptability. Without sufficient training data, irrelevant regions in single images easily divert model focus, leading to redundant outputs or hallucinations. To address this, we propose CoreGaze, a training-free framework that simulates human visual gaze diffusion for fine-grained comprehension. First, CoreGaze constructs a sparse semantic graph from visual tokens, modeling region-wise affinities via thresholded similarity. It then maps the user’s visual prompt to a core subgraph with amplified initial influence, which drives a degree-normalized diffusion process using restart-equipped random walks to propagate relevance to contextual neighborhoods. This process prunes irrelevant tokens while preserving user-indicated targets and semantically linked context, distilling a focused yet comprehensive subgraph. Finally, CoreGaze fuses this subgraph with prompt tokens in the frozen large language model decoder, facilitating fine-grained referring generation. Experimental results show that CoreGaze achieves outstanding performance in multiple referring dialogue tasks, showcasing its effectiveness.

Maoxiao Ye, Xinfeng Ye, Sathiamoorthy Manoharan

Earlier Sign Language Production (SLP) models typically relied on autoregressive methods that generate output tokens one by one, which inherently provide temporal alignment. Although techniques like Teacher Forcing can prevent model collapse during training, they still cannot solve the problem of error accumulation during inference, since ground truth is unavailable at that stage. In contrast, more recent approaches based on diffusion models leverage step-by-step denoising to enable high-quality generation. However, the iterative nature of these models and the requirement to denoise entire sequences limit their applicability in real-time tasks like SLP. To address it, we propose a hybrid autoregressive-diffusion model for Sign Language Production (SLP), combining sequential dependency modeling with iterative refinement. A Multi-Scale Pose Representation module captures fine-grained articulator features, while a Confidence-Aware Causal Attention mechanism guides generation using joint-level confidence scores. Experiments on PHOENIX14T and How2Sign show improved generation quality and real-time efficiency.

Applications · Chemistry, Physics, and Earth Sciences

Zhonghao Li, Chaoyu Liu, Qian Zhang

Partial differential equations (PDEs) are fundamental for modeling complex natural and physical phenomena. In many real-world applications, however, observational data are \textbf{extremely sparse}, which severely limits the applicability of both classical numerical solvers and existing neural approaches. While neural methods have shown promising results under moderately sparse observations, their inference efficiency at high resolutions is limited, and their accuracy degrades substantially in the extremely sparse regime. In this work, we propose the \textbf{Di-BiLPS}, a unified neural framework that effectively handle \textbf{both forward and inverse} PDE problems under extremely sparse observations. Di-BiLPS combines a variational autoencoder to compress high-dimensional inputs into a compact latent space, a latent diffusion module to model uncertainty, and contrastive learning to align representations. Operating entirely in this latent space, the framework achieves efficient inference while retaining flexible input–output mapping. In addition, we introduce a \textbf{PDE-informed denoising algorithm} based on a variance-preserving diffusion process, which further improves inference efficiency. Extensive experiments on multiple PDE benchmarks demonstrate that Di-BiLPS consistently achieves \textbf{SOTA performance under extremely sparse inputs (as low as 3\%)}, while substantially reducing computational cost. Moreover, Di-BiLPS enables \textbf{zero-shot super-resolution}, as it allows predictions over continuous spatial–temporal domains.

Applications · Chemistry, Physics, and Earth Sciences

Zhang Yiyuan, Cailong Hua, Vinitendra Singh, Joseph Muretta, James Ervasti, Murti Salapaka

Many fundamental biological processes are governed by mechanical forces, with proteins acting as the key molecular mediators. Elucidating how protein unfolding responds to force is critical for understanding the mechano-pathologies, such as cardiomyopathy and muscular dystrophy. While the unfolding trajectories measured by Single-Molecule Force Spectroscopy (SMFS) map the instantaneous force response against molecular extension, its broader application is limited by time-consuming data collection and high operational costs. Here, we present the first scalable generative diffusion framework for full unfolding trajectory prediction, which integrates protein encoders for multi-scale conditioning. Beyond establishing the field's first systematic benchmark using existing models, we propose GenUnfold, a novel physics-guided diffusion model that combines global coevolutionary context with a local mechanical representation of the protein. The representation is derived from a novel physics-biased attention mechanism, which steers the generative diffusion process by modeling dynamic residue dependencies as a function of both structural topology and interaction stiffness. The benchmark for this task is built upon the biomolecule stretching database and several representative baseline models. Empirical results demonstrate that GenUnfold achieves state-of-the-art performance, reducing distributional error (FID) by 30\% and 54\% compared to pretrained Evolutionary Scale Model (ESM)-2 and standard transformer, respectively. Beyond statistical curve similarity, GenUnfold demonstrates superior physical consistency; in downstream mechanical property prediction, it reduces prediction errors for unfolding force and energy distributions by 6\% and 36\% over the ESM-2 baseline. These results indicate that while existing generative AI approaches can alleviate the need for predicting representative force curves, GenUnfold further improves performance by leveraging the synergy between protein structure and evolutionary information. By enabling proteome-wide screening to identify mechanical candidates before costly physical validation, our approach is promising to accelerate the discovery of force-targeted therapeutics.

Applications · Chemistry, Physics, and Earth Sciences

Montgomery Bohde, Hongxuan Liu, Mrunali Manjrekar, Magdalena Lederbauer, Shuiwang Ji, Runzhong Wang, Connor Coley

Tandem mass spectrometry is prominent in scientific discovery workflows for identifying unknown small molecules, yet high-throughput structural elucidation remains challenging. While recent autoregressive and graph diffusion models have shown promise in *de novo* elucidation, performance remains limited by poor scalability during both training and inference time. In this work, we present FRIGID, a framework with a novel diffusion language model that generates molecular structures conditioned on mass spectra via intermediate fingerprint representations and determined chemical formulae, training at the scale of hundreds of millions of unlabeled structures. We then demonstrate how forward fragmentation models enable inference-time scaling by identifying spectrum-inconsistent fragments and refining them through targeted remasking and denoising. While FRIGID already achieves strong performance with its diffusion base, inference-time scaling significantly improves its accuracy, surpassing 15% Top-1 accuracy on the challenging MassSpecGym benchmark and more than doubling the Top-1 accuracy of the leading methods on NPLIB1. Further empirical analyses show that FRIGID exhibits log-linear performance scaling with increasing inference-time compute, opening a promising new direction for continued improvements in *de novo* structural elucidation.

Theory · Learning Theory

Benjamin Dupuis, Tyler Farghly, Maxime Haddouche, Alain Oliviero Durmus, Umut Simsekli

Diffusion models (DMs) are a state-of-the-art generative method to approximately sample from an unknown distribution. Their training and evaluation primarily rely on an Evidence Lower Bound (ELBO), which relates the Kullback-Leibler (KL) divergence of model samples to the score matching loss along the path, which serves as a tractable surrogate. The difference between sample quality and the score matching loss produced by this bound leads to the score matching gap, which is known to be tight in the worst-case but not descriptive of sample quality in general. In this work, we provide a theoretical analysis of this gap, developing tighter bounds for three metrics: KL divergence, reverse KL divergence, and Wasserstein distance, effectively exploiting the regularity of the class of score estimators. Our results suggest that the quality of the score approximation has more impact on closing the score matching gap for low noise scales. To obtain these bounds, our key technical insight is to exploit the contraction properties of the backward processes. In particular, we rely on entropy flows, logarithmic Sobolev inequalities and reflection couplings, rigorously linking the ergodicity of the Langevin diffusion to the score matching gap problem.