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Text-guided molecule generation is a task where molecules are generated to match specific textual descriptions. Recently, most existing SMILES-based molecule generation methods rely on an autoregressive architecture. In this work, we…

Machine Learning · Computer Science 2024-02-21 Haisong Gong , Qiang Liu , Shu Wu , Liang Wang

Artificial intelligence (AI) has achieved human-level performance in specialized tasks such as Go, image recognition, and protein folding, raising the prospect of an AI singularity-where machines not only match but surpass human reasoning.…

Fluid Dynamics · Physics 2025-12-30 Zhongxin Yang , Yuanwei Bin , Yipeng Shi , Xiang I. A. Yang

Diffusion-based large language models (dLLMs) have shown promising performance across various reasoning tasks, establishing themselves as an alternative to autoregressive large language models (LLMs). Unlike autoregressive LLMs that…

Computation and Language · Computer Science 2026-03-02 Xiangzhong Luo , Yilin An , Zhicheng Yu , Weichen Liu , Xu Yang

Diffusion large language models (dLLMs) are emerging as a compelling alternative to dominant autoregressive models, replacing strictly sequential token generation with iterative denoising and parallel generation dynamics. However, their…

Computation and Language · Computer Science 2026-04-07 Jingyi Yang , Yuxian Jiang , Xuhao Hu , Shuang Cheng , Biqing Qi , Jing Shao

Diffusion models have achieved great success in generating high-dimensional samples across various applications. While the theoretical guarantees for continuous-state diffusion models have been extensively studied, the convergence analysis…

Machine Learning · Computer Science 2025-04-15 Zikun Zhang , Zixiang Chen , Quanquan Gu

Score-matching generative models have proven successful at sampling from complex high-dimensional data distributions. In many applications, this distribution is believed to concentrate on a much lower $d$-dimensional manifold embedded into…

Machine Learning · Statistics 2025-04-25 Peter Potaptchik , Iskander Azangulov , George Deligiannidis

Diffusion models promise efficient parallel text generation but rely on bidirectional attention, creating a structural mismatch with pre-trained Autoregressive (AR) models. This incompatibility precludes reusing robust AR priors,…

Computation and Language · Computer Science 2026-05-29 Xiangyu Ma , Teng Xiao , Zuchao Li , Lefei Zhang

Recently, diffusion models have emerged as a new paradigm for generative models. Despite the success in domains using continuous signals such as vision and audio, adapting diffusion models to natural language is under-explored due to the…

Computation and Language · Computer Science 2023-02-15 Shansan Gong , Mukai Li , Jiangtao Feng , Zhiyong Wu , Lingpeng Kong

Recently, multimodal large language models (MLLMs) have emerged as a unified paradigm for language and image generation. Compared with diffusion models, MLLMs possess a much stronger capability for semantic understanding, enabling them to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Ye Leng , Junjie Chu , Mingjie Li , Chenhao Lin , Chao Shen , Michael Backes , Yun Shen , Yang Zhang

Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge…

Machine Learning · Computer Science 2026-05-19 Kelvin Kan , Xingjian Li , Benjamin J. Zhang , Tuhin Sahai , Stanley Osher , Markos A. Katsoulakis

While inference-time scaling through search has revolutionized Large Language Models, translating these gains to image generation has proven difficult. Recent attempts to apply search strategies to continuous diffusion models show limited…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Erik Riise , Mehmet Onurcan Kaya , Dim P. Papadopoulos

While language models (LMs) paired with residual vector quantization (RVQ) tokenizers have shown promise in text-to-audio (T2A) generation, they still lag behind diffusion-based models by a non-trivial margin. We identify a critical dilemma…

Sound · Computer Science 2025-10-07 Juncheng Wang , Chao Xu , Cheng Yu , Zhe Hu , Haoyu Xie , Guoqi Yu , Lei Shang , Shujun Wang

Diffusion and flow-based models have become the de facto approaches for generating continuous data, e.g., in domains such as images and videos. Their success has attracted growing interest in applying them to language modeling. Unlike their…

Computation and Language · Computer Science 2026-05-12 Keya Hu , Linlu Qiu , Yiyang Lu , Hanhong Zhao , Tianhong Li , Yoon Kim , Jacob Andreas , Kaiming He

Diffusion models over discrete spaces have recently shown striking empirical success, yet their theoretical foundations remain incomplete. In this paper, we study the sampling efficiency of score-based discrete diffusion models under a…

Machine Learning · Computer Science 2026-02-17 Daniil Dmitriev , Zhihan Huang , Yuting Wei

Recent advances in generative artificial intelligence, particularly large language models (LLMs), have opened new opportunities for enhancing recommender systems (RecSys). Most existing LLM-based RecSys approaches operate in a discrete…

Information Retrieval · Computer Science 2026-02-25 Haohao Qu , Shanru Lin , Yujuan Ding , Yiqi Wang , Wenqi Fan

Diffusion Language Models (DLMs) have recently achieved strong results in text generation. However, their multi-step sampling leads to slow inference, limiting practical use. To address this, we extend Inverse Distillation, a technique…

Machine Learning · Computer Science 2026-02-24 David Li , Nikita Gushchin , Dmitry Abulkhanov , Eric Moulines , Ivan Oseledets , Maxim Panov , Alexander Korotin

Large Language Models (LLMs) demonstrate their reasoning ability through chain-of-thought (CoT) generation. However, LLM's autoregressive decoding may limit the ability to revisit and refine earlier tokens in a holistic manner, which can…

Machine Learning · Computer Science 2026-04-24 Haoqiang Kang , Yizhe Zhang , Nikki Lijing Kuang , Nicklas Majamaki , Navdeep Jaitly , Yi-An Ma , Lianhui Qin

Much work has been done on designing fast and accurate sampling for diffusion language models (dLLMs). However, these efforts have largely focused on the tradeoff between speed and quality of individual samples; how to additionally ensure…

Diffusion language models enable any-order generation and bidirectional conditioning, offering appealing flexibility for tasks such as infilling, rewriting, and self-correction. However, their formulation-predicting one part of a sequence…

Computation and Language · Computer Science 2026-01-21 Tianqi Du , Lizhe Fang , Weijie Yang , Chenheng Zhang , Zeming Wei , Yifei Wang , Yisen Wang

Diffusion models have become a powerful family of deep generative models, with record-breaking performance in many applications. This paper first gives an overview and derivation of the basic theory of diffusion models, then reviews the…

Computation and Language · Computer Science 2023-03-15 Yuansong Zhu , Yu Zhao
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