English
Related papers

Related papers: Diffusion on language model encodings for protein …

200 papers

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with…

Diffusion models offer a powerful means of capturing the manifold of realistic protein structures, enabling rapid design for protein engineering tasks. However, existing approaches observe critical failure modes when precise constraints are…

Biomolecules · Quantitative Biology 2026-03-27 Jacob K. Christopher , Austin Seamann , Jingyi Cui , Sagar Khare , Ferdinando Fioretto

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. However, diffusion models that directly work on discrete data space fail to fully exploit the power of iterative…

Machine Learning · Computer Science 2025-10-24 Jaehyeong Jo , Sung Ju Hwang

Evolution is an extraordinary engine for enzymatic diversity, yet the chemistry it has explored remains a narrow slice of what DNA can encode. Deep generative models can design new proteins that bind ligands, but none have created enzymes…

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

Diffusion models have emerged as a powerful class of generative models, achieving state-of-the-art results in continuous data domains such as image and video generation. Their core mechanism involves a forward diffusion process that…

Computation and Language · Computer Science 2025-07-10 Ashen Weligalle

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Diffusion models that are based on iterative denoising have been recently proposed and leveraged in various generation tasks like image generation. Whereas, as a way inherently built for continuous data, existing diffusion models still have…

Computation and Language · Computer Science 2023-04-11 Jiaao Chen , Aston Zhang , Mu Li , Alex Smola , Diyi Yang

Proteins are shaped by gradual evolution under biophysical and functional constraints. Protein language models learn rich evolutionary constraints from large-scale sequences, and discrete diffusion-based protein language models~(\eg, DPLMs)…

Machine Learning · Computer Science 2026-05-14 Xinyou Wang , Liang Hong , Jiasheng Ye , Zaixiang Zheng , Yu Li , Shujian Huang , Quanquan Gu

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Artificial Intelligence · Computer Science 2025-12-01 Fiona Y. Wang , Di Sheng Lee , David L. Kaplan , Markus J. Buehler

Diffusion Probabilistic Models (DPMs) have emerged as the de facto approach for high-fidelity image synthesis, operating diffusion processes on continuous VAE latent, which significantly differ from the text generation methods employed by…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Xiaoping Wu , Jie Hu , Xiaoming Wei

Diffusion models offer appealing properties for language generation, such as parallel decoding and iterative refinement, but the discrete and highly structured nature of text challenges the direct application of diffusion principles. In…

Computation and Language · Computer Science 2025-12-30 Ziqi Jin , Bin Wang , Xiang Lin , Lidong Bing , Aixin Sun

Protein design is a fundamental challenge in biotechnology, aiming to design novel sequences with specific functions within the vast space of possible proteins. Recent advances in deep generative models have enabled function-based protein…

Machine Learning · Computer Science 2025-10-15 Nuowei Liu , Jiahao Kuang , Yanting Liu , Tao Ji , Changzhi Sun , Man Lan , Yuanbin Wu

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

Self-supervised pre-training methods on proteins have recently gained attention, with most approaches focusing on either protein sequences or structures, neglecting the exploration of their joint distribution, which is crucial for a…

Machine Learning · Computer Science 2023-07-11 Zuobai Zhang , Minghao Xu , Aurélie Lozano , Vijil Chenthamarakshan , Payel Das , Jian Tang

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

Large language models (LLMs) based on decoder-only transformers have demonstrated superior text understanding capabilities compared to CLIP and T5-series models. However, the paradigm for utilizing current advanced LLMs in text-to-image…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Bingqi Ma , Zhuofan Zong , Guanglu Song , Hongsheng Li , Yu Liu

We present LLaDA2.0-Uni, a unified discrete diffusion large language model (dLLM) that supports multimodal understanding and generation within a natively integrated framework. Its architecture combines a fully semantic discrete tokenizer, a…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Inclusion AI , Tiwei Bie , Haoxing Chen , Tieyuan Chen , Zhenglin Cheng , Long Cui , Kai Gan , Zhicheng Huang , Zhenzhong Lan , Haoquan Li , Jianguo Li , Tao Lin , Qi Qin , Hongjun Wang , Xiaomei Wang , Haoyuan Wu , Yi Xin , Junbo Zhao

End-to-end autonomous driving systems based on vision-language-action (VLA) models integrate multimodal sensor inputs and language instructions to generate planning and control signals. While autoregressive large language models and…

Robotics · Computer Science 2025-12-17 Mingwang Xu , Jiahao Cui , Feipeng Cai , Hanlin Shang , Zhihao Zhu , Shan Luan , Yifang Xu , Neng Zhang , Yaoyi Li , Jia Cai , Siyu Zhu

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