English
Related papers

Related papers: LDMol: A Text-to-Molecule Diffusion Model with Str…

200 papers

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

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations…

Machine Learning · Computer Science 2024-10-08 Yanchen Luo , Junfeng Fang , Sihang Li , Zhiyuan Liu , Jiancan Wu , An Zhang , Wenjie Du , Xiang Wang

Latent diffusion models offer an attractive alternative to discrete diffusion for non-autoregressive text generation by operating on continuous text representations and denoising entire sequences in parallel. The major challenge in latent…

Computation and Language · Computer Science 2026-05-11 Viacheslav Meshchaninov , Alexander Shabalin , Egor Chimbulatov , Nikita Gushchin , Ilya Koziev , Alexander Korotin , Dmitry Vetrov

Language diffusion models aim to improve sampling speed and coherence over autoregressive LLMs. We introduce Neural Flow Diffusion Models for language generation, an extension of NFDM that enables the straightforward application of…

Computation and Language · Computer Science 2026-01-26 Nesta Midavaine , Christian A. Naesseth , Grigory Bartosh

Diffusion Language Models (DLMs) are rapidly emerging as a powerful and promising alternative to the dominant autoregressive (AR) paradigm. By generating tokens in parallel through an iterative denoising process, DLMs possess inherent…

Computation and Language · Computer Science 2025-12-08 Tianyi Li , Mingda Chen , Bowei Guo , Zhiqiang Shen

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Machine Learning · Computer Science 2022-09-14 Lei Huang , Hengtong Zhang , Tingyang Xu , Ka-Chun Wong

Can continuous diffusion models bring the same performance breakthrough on natural language they did for image generation? To circumvent the discrete nature of text data, we can simply project tokens in a continuous space of embeddings, as…

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

Diffusion models have gained tremendous success in text-to-image generation, yet still lag behind with visual understanding tasks, an area dominated by autoregressive vision-language models. We propose a large-scale and fully end-to-end…

Computer Vision and Pattern Recognition · Computer Science 2025-04-03 Zijie Li , Henry Li , Yichun Shi , Amir Barati Farimani , Yuval Kluger , Linjie Yang , Peng Wang

Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

Large language models have achieved remarkable success under the autoregressive paradigm, yet high-quality text generation need not be tied to a fixed left-to-right order. Existing alternatives still struggle to jointly achieve generation…

Computation and Language · Computer Science 2026-05-08 Hongcan Guo , Qinyu Zhao , Yian Zhao , Shen Nie , Rui Zhu , Qiushan Guo , Feng Wang , Tao Yang , Hengshuang Zhao , Guoqiang Wei , Yan Zeng

In this work, we provide a systematic survey of Discrete Diffusion Language Models (dLLMs) and Discrete Diffusion Multimodal Language Models (dMLLMs). Unlike autoregressive (AR) models, dLLMs and dMLLMs adopt a multi-token, parallel…

Machine Learning · Computer Science 2025-09-22 Runpeng Yu , Qi Li , Xinchao Wang

We present LTM3D, a Latent Token space Modeling framework for conditional 3D shape generation that integrates the strengths of diffusion and auto-regressive (AR) models. While diffusion-based methods effectively model continuous latent…

Computer Vision and Pattern Recognition · Computer Science 2025-06-02 Xin Kang , Zihan Zheng , Lei Chu , Yue Gao , Jiahao Li , Hao Pan , Xuejin Chen , Yan Lu

Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to…

Computation and Language · Computer Science 2025-06-03 Shansan Gong , Shivam Agarwal , Yizhe Zhang , Jiacheng Ye , Lin Zheng , Mukai Li , Chenxin An , Peilin Zhao , Wei Bi , Jiawei Han , Hao Peng , Lingpeng Kong

Controlling the behavior of language models (LMs) without re-training is a major open problem in natural language generation. While recent works have demonstrated successes on controlling simple sentence attributes (e.g., sentiment), there…

Computation and Language · Computer Science 2022-05-31 Xiang Lisa Li , John Thickstun , Ishaan Gulrajani , Percy Liang , Tatsunori B. Hashimoto

This study introduces a text-conditioned approach to generating drumbeats with Latent Diffusion Models (LDMs). It uses informative conditioning text extracted from training data filenames. By pretraining a text and drumbeat encoder through…

Sound · Computer Science 2024-08-07 Pushkar Jajoria , James McDermott

Diffusion models have demonstrated significant potential in achieving state-of-the-art performance across various text generation tasks. In this systematic study, we investigate their application to the table-to-text problem by adapting the…

Computation and Language · Computer Science 2024-09-24 Aleksei S. Krylov , Oleg D. Somov

Diffusion models have shown promise in text generation, but often struggle with generating long, coherent, and contextually accurate text. Token-level diffusion doesn't model word-order dependencies explicitly and operates on short, fixed…

Computation and Language · Computer Science 2025-05-27 Xiaochen Zhu , Georgi Karadzhov , Chenxi Whitehouse , Andreas Vlachos
‹ Prev 1 2 3 10 Next ›