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Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Prior masked modeling motion generation methods predominantly study text-to-motion. We present DiMo, a discrete diffusion-style framework, which extends masked modeling to bidirectional text--motion understanding and generation. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Ning Zhang , Zhengyu Li , Kwong Weng Loh , Mingxi Xu , Qi Wang , Zhengyu Wen , Xiaoyu He , Wei Zhao , Kehong Gong , Mingyuan Zhang

Proteins inherently possess a consistent sequence-structure duality. The abundance of protein sequence data, which can be readily represented as discrete tokens, has driven fruitful developments in protein language models (pLMs). A key…

Computational Engineering, Finance, and Science · Computer Science 2026-05-29 Yi Zhou , Haohao Qu , Yunqing Liu , Shanru Lin , Le Song , Wenqi Fan

Protein design with desirable properties has been a significant challenge for many decades. Generative artificial intelligence is a promising approach and has achieved great success in various protein generation tasks. Notably, diffusion…

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit…

Biomolecules · Quantitative Biology 2026-05-28 Chen Wei , Fanding Xu , Minghao Sun , Zhiyuan Liu , Lin Wang , Tianrui Jia , Yihang Zhou , Yang Zhang

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…

Diffusion language models intrinsically fail to capture correlations between decoded tokens, which leads to a harsh trade-off between sampling quality and throughput. To solve this issue, we propose DiLaDiff, a variant of masked diffusion…

Machine Learning · Computer Science 2026-05-25 Jean-Marie Lemercier , Tomas Geffner , Karsten Kreis , Morteza Mardani , Arash Vahdat , Ante Jukić

Recent advances in large language models (LLMs) have shown remarkable capabilities across textual and multimodal domains. In parallel, diffusion-based language models have emerged as a promising alternative to the autoregressive paradigm,…

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

In this work, we propose Dimple, the first Discrete Diffusion Multimodal Large Language Model (DMLLM). We observe that training with a purely discrete diffusion approach leads to significant training instability, suboptimal performance, and…

Computer Vision and Pattern Recognition · Computer Science 2025-05-27 Runpeng Yu , Xinyin Ma , Xinchao Wang

We explore a framework for protein sequence representation learning that decomposes the task between manifold learning and distributional modelling. Specifically we present a Latent Space Diffusion architecture which combines a protein…

Machine Learning · Computer Science 2025-03-25 Eoin Quinn , Ghassene Jebali , Maxime Seince , Oliver Bent

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

Diffusion models have achieved great success in modeling continuous data modalities such as images, audio, and video, but have seen limited use in discrete domains such as language. Recent attempts to adapt diffusion to language have…

Computation and Language · Computer Science 2023-11-08 Justin Lovelace , Varsha Kishore , Chao Wan , Eliot Shekhtman , Kilian Q. Weinberger

This paper introduces a novel framework for DNA sequence generation, comprising two key components: DiscDiff, a Latent Diffusion Model (LDM) tailored for generating discrete DNA sequences, and Absorb-Escape, a post-training algorithm…

Genomics · Quantitative Biology 2024-04-18 Zehui Li , Yuhao Ni , William A V Beardall , Guoxuan Xia , Akashaditya Das , Guy-Bart Stan , Yiren Zhao

Diffusion models have demonstrated strong potential in language modeling, offering various advantages over traditional autoregressive approaches. Their ability to generate and revise entire responses in parallel enables faster generation…

Machine Learning · Computer Science 2026-03-03 Michael Hersche , Samuel Moor-Smith , Thomas Hofmann , Abbas Rahimi

Sequence diversity is one of the major challenges in the design of diagnostic, prophylactic and therapeutic interventions against viruses. DiMA is a novel tool that is big data-ready and designed to facilitate the dissection of sequence…

Reparameterized diffusion models (RDMs) have recently matched autoregressive methods in protein generation, motivating their use for challenging tasks such as designing membrane proteins, which possess interleaved soluble and transmembrane…

Biomolecules · Quantitative Biology 2025-09-30 Shrey Goel , Peregrine M. Schray , Yinuo Zhang , Sophia Vincoff , Huong T. Kratochvil , Pranam Chatterjee

Generating novel and functional protein sequences is critical to a wide range of applications in biology. Recent advancements in conditional diffusion models have shown impressive empirical performance in protein generation tasks. However,…

Machine Learning · Computer Science 2025-12-04 Zinan Ling , Yi Shi , Brett McKinney , Da Yan , Yang Zhou , Bo Hui
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