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Discrete diffusion models offer global context awareness and flexible parallel generation. However, uniform random noise schedulers in standard DLLM training overlook the highly non-uniform information density inherent in real-world…

Machine Learning · Computer Science 2026-03-18 Linrui Ma , Yufei Cui , Kai Han , Yunhe Wang

The advent of deep learning has introduced efficient approaches for de novo protein sequence design, significantly improving success rates and reducing development costs compared to computational or experimental methods. However, existing…

Artificial Intelligence · Computer Science 2024-07-11 Yutong Hu , Yang Tan , Andi Han , Lirong Zheng , Liang Hong , Bingxin Zhou

Generative modeling of discrete data underlies important applications spanning text-based agents like ChatGPT to the design of the very building blocks of life in protein sequences. However, application domains need to exert control over…

Protein language models (pLMs) have demonstrated success at generating functional proteins across vast sequence spaces but lack the ability to design high-fitness variants on demand. Here, we iteratively guide pLMs toward user-defined…

Biomolecules · Quantitative Biology 2025-12-01 Filippo Stocco , Maria Artigues-Lleixa , Andrea Hunklinger , Talal Widatalla , Marc Guell , Noelia Ferruz

Diffusion language models have emerged as a promising approach for text generation. One would naturally expect this method to be an efficient replacement for autoregressive models since multiple tokens can be sampled in parallel during each…

Machine Learning · Computer Science 2025-06-10 Guhao Feng , Yihan Geng , Jian Guan , Wei Wu , Liwei Wang , Di He

Protein language models (PLMs) have emerged as powerful tools to detect complex patterns of protein sequences. However, the capability of PLMs to fully capture information on protein sequences might be limited by focusing on single…

Machine Learning · Computer Science 2025-05-27 Hazem Alsamkary , Mohamed Elshaffei , Mohamed Elkerdawy , Ahmed Elnaggar

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers…

We propose a diffusion-based framework for prompt optimization that leverages Diffusion Language Models (DLMs) to iteratively refine system prompts through masked denoising. By conditioning on interaction traces, including user queries,…

Computation and Language · Computer Science 2026-02-24 Shiyu Wang , Haolin Chen , Liangwei Yang , Jielin Qiu , Rithesh Murthy , Ming Zhu , Zixiang Chen , Silvio Savarese , Caiming Xiong , Shelby Heinecke , Huan Wang

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

Masked diffusion models (MDMs) are a potential alternative to autoregressive models (ARMs) for language generation, but generation quality depends critically on the generation order. Prior work either hard-codes an ordering (e.g., blockwise…

Machine Learning · Computer Science 2026-05-22 Chunsan Hong , Sanghyun Lee , Jong Chul Ye

Large-scale Protein Language Models (PLMs) have improved performance in protein prediction tasks, ranging from 3D structure prediction to various function predictions. In particular, AlphaFold, a ground-breaking AI system, could potentially…

Quantitative Methods · Quantitative Biology 2022-10-18 Mingyang Hu , Fajie Yuan , Kevin K. Yang , Fusong Ju , Jin Su , Hui Wang , Fei Yang , Qiuyang Ding

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

While recent multimodal large language models (MLLMs) have made impressive strides, they predominantly employ a conventional autoregressive architecture as their backbone, leaving significant room to explore effective and efficient…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Lijiang Li , Zuwei Long , Yunhang Shen , Heting Gao , Haoyu Cao , Xing Sun , Caifeng Shan , Ran He , Chaoyou Fu

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM…

Biomolecules · Quantitative Biology 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Machine Learning · Computer Science 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures.…

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Synthetic tabular data generation has attracted growing attention due to its importance for data augmentation, foundation models, and privacy. However, real-world tabular datasets increasingly contain free-form text fields (e.g., reviews or…

Machine Learning · Computer Science 2026-05-13 Donghong Cai , Jiarui Feng , Yanbo Wang , Da Zheng , Yixin Chen , Muhan Zhang
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