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Related papers: Text-Guided Molecule Generation with Diffusion Lan…

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Diffusion-based language models (dLLMs) have emerged as a promising alternative to autoregressive language models, offering the potential for parallel token generation and bidirectional context modeling. However, harnessing this flexibility…

Computation and Language · Computer Science 2026-05-28 Jiyeon Kim , Sungik Choi , Yongrae Jo , Moontae Lee , Minjoon Seo

Language models based on discrete diffusion have attracted widespread interest for their potential to provide faster generation than autoregressive models. Despite their promise, these models typically produce samples whose quality sharply…

Computation and Language · Computer Science 2026-05-21 Chanhyuk Lee , Jaehoon Yoo , Manan Agarwal , Sheel Shah , Jerry Huang , Aditi Raghunathan , Seunghoon Hong , Nicholas M. Boffi , Jinwoo Kim

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

The tremendous progress in neural image generation, coupled with the emergence of seemingly omnipotent vision-language models has finally enabled text-based interfaces for creating and editing images. Handling generic images requires a…

Computer Vision and Pattern Recognition · Computer Science 2023-07-27 Omri Avrahami , Ohad Fried , Dani Lischinski

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

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Biomolecules · Quantitative Biology 2025-01-09 Bobin Yang , Jie Deng , Zhenghan Chen , Ruoxue Wu

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

3D generative models have shown significant promise in structure-based drug design (SBDD), particularly in discovering ligands tailored to specific target binding sites. Existing algorithms often focus primarily on ligand-target binding,…

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

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial…

Machine Learning · Computer Science 2023-12-12 Wei Feng , Lvwei Wang , Zaiyun Lin , Yanhao Zhu , Han Wang , Jianqiang Dong , Rong Bai , Huting Wang , Jielong Zhou , Wei Peng , Bo Huang , Wenbiao Zhou

The generation of images of realistic looking, readable handwritten text is a challenging task which is referred to as handwritten text generation (HTG). Given a string and examples from a writer, the goal is to synthesize an image…

Computer Vision and Pattern Recognition · Computer Science 2024-12-23 Kai Brandenbusch

With the rapid development of deep learning, existing generative text steganography methods based on autoregressive models have achieved success. However, these autoregressive steganography approaches have certain limitations. Firstly,…

Cryptography and Security · Computer Science 2025-04-29 Zhengxian Wu , Juan Wen , Yiming Xue , Ziwei Zhang , Yinghan Zhou

Large language models (LLMs) have shown remarkable success across a wide range of natural language generation tasks, where proper prompt designs make great impacts. While existing prompting methods are normally restricted to providing…

Computation and Language · Computer Science 2023-06-01 Bei Li , Rui Wang , Junliang Guo , Kaitao Song , Xu Tan , Hany Hassan , Arul Menezes , Tong Xiao , Jiang Bian , JingBo Zhu

While diffusion Multimodal Large Language Models (dMLLMs) have recently achieved remarkable strides in multimodal generation, the development of interpretability mechanisms has lagged behind their architectural evolution. Unlike traditional…

Artificial Intelligence · Computer Science 2026-04-14 Haomin Zuo , Yidi Li , Luoxiao Yang , Xiaofeng Zhang

Recently, the multimedia community has witnessed the rise of diffusion models trained on large-scale multi-modal data for visual content creation, particularly in the field of text-to-image generation. In this paper, we propose a new task…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 Jingwen Chen , Yingwei Pan , Ting Yao , Tao Mei

Diffusion Transformers (DiT) trained with flow matching in a VAE latent space have unified visual generation across images and videos. A natural next step toward a single architecture for both generation (visual synthesis) and understanding…

Computation and Language · Computer Science 2026-05-11 Jiaxiu Jiang , Jingjing Ren , Wenbo Li , Bo Wang , Haoze Sun , Yijun Yang , Jianhui Liu , Yanbing Zhang , Shenghe Zheng , Yuan Zhang , Haoyang Huang , Nan Duan , Wangmeng Zuo

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

Autoregressive language models decode left-to-right with irreversible commitments, limiting revision during multi-step reasoning. We propose \textbf{VDLM}, a modular variable diffusion language model that separates semantic planning from…

Computation and Language · Computer Science 2026-02-19 Shuhui Qu

Discrete diffusion models (DMs) have achieved strong performance in language and other discrete domains, offering a compelling alternative to autoregressive modeling. Yet this performance typically depends on large training datasets,…

Machine Learning · Computer Science 2026-04-16 Julian Kleutgens , Claudio Battiloro , Lingkai Kong , Benjamin Grewe , Francesca Dominici , Mauricio Tec

Text-conditioned diffusion models have emerged as a promising tool for neural video generation. However, current models still struggle with intricate spatiotemporal prompts and often generate restricted or incorrect motion. To address these…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Long Lian , Baifeng Shi , Adam Yala , Trevor Darrell , Boyi Li
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