English
Related papers

Related papers: Diffusion Sequence Models for Enhanced Protein Rep…

200 papers

Mask-based Diffusion Language Models (DLMs) struggle to revise incorrect tokens: once a token is generated, it typically remains fixed. The key challenge is to identify potential errors in the inputs. In this paper, we propose…

Computation and Language · Computer Science 2025-09-30 Zemin Huang , Yuhang Wang , Zhiyang Chen , Guo-Jun Qi

Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how…

Machine Learning · Computer Science 2022-06-29 Erik Nijkamp , Jeffrey Ruffolo , Eli N. Weinstein , Nikhil Naik , Ali Madani

Recent Speech Large Language Models~(LLMs) have achieved impressive capabilities in end-to-end speech interaction. However, the prevailing autoregressive paradigm imposes strict serial constraints, limiting generation efficiency and…

Computation and Language · Computer Science 2026-02-10 Ziyang Cheng , Yuhao Wang , Heyang Liu , Ronghua Wu , Qunshan Gu , Yanfeng Wang , Yu Wang

We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains…

Machine Learning · Computer Science 2024-11-05 Xingyi Cheng , Bo Chen , Pan Li , Jing Gong , Jie Tang , Le Song

The Diffusion Probabilistic Model (DPM) has emerged as a highly effective generative model in the field of computer vision. Its intermediate latent vectors offer rich semantic information, making it an attractive option for various…

Computer Vision and Pattern Recognition · Computer Science 2023-03-29 Haipeng Zhou , Lei Zhu , Yuyin Zhou

Diffusion Language Models (DLMs) offer a promising parallel generation paradigm but suffer from slow inference due to numerous refinement steps and the inability to use standard KV caching. We introduce CDLM (Consistency Diffusion Language…

Machine Learning · Computer Science 2026-02-23 Minseo Kim , Chenfeng Xu , Coleman Hooper , Harman Singh , Ben Athiwaratkun , Ce Zhang , Kurt Keutzer , Amir Gholami

Discrete diffusion models have recently emerged as strong alternatives to autoregressive language models, matching their performance through large-scale training. However, inference-time control remains relatively underexplored. In this…

Machine Learning · Computer Science 2026-04-09 Meihua Dang , Jiaqi Han , Minkai Xu , Kai Xu , Akash Srivastava , Stefano Ermon

Despite exceptional predictive performance of Deep sequence models (DSMs), the main concern of their deployment centers around the lack of uncertainty awareness. In contrast, probabilistic models quantify the uncertainty associated with…

Machine Learning · Computer Science 2026-03-03 Wenlong Chen

Protein representation learning is critical in various tasks in biology, such as drug design and protein structure or function prediction, which has primarily benefited from protein language models and graph neural networks. These models…

Biomolecules · Quantitative Biology 2024-02-16 Bozhen Hu , Zelin Zang , Cheng Tan , Stan Z. Li

We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can…

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann…

Machine Learning · Computer Science 2026-02-13 Panagiotis Antoniadis , Beatrice Pavesi , Simon Olsson , Ole Winther

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

Diffusion language models promise parallel generation, yet still lag behind autoregressive (AR) models in quality. We stem this gap to a failure of introspective consistency: AR models agree with their own generations, while DLMs often do…

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…

Machine Learning · Computer Science 2024-06-04 Jiale Zhao , Wanru Zhuang , Jia Song , Yaqi Li , Shuqi Lu

Memorization in large language models has been studied almost exclusively through prefix-conditioned extraction, a natural choice for autoregressive models. However, diffusion language models (DLMs) can denoise masked tokens at arbitrary…

Computation and Language · Computer Science 2026-05-26 Yihan Wang , N. Asokan

Existing PLMs generate protein sequences based on a single-condition constraint from a specific modality, struggling to simultaneously satisfy multiple constraints across different modalities. In this work, we introduce CFP-Gen, a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Junbo Yin , Chao Zha , Wenjia He , Chencheng Xu , Xin Gao

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Machine learning is widely used to analyze biological sequence data. Non-sequential models such as SVMs or feed-forward neural networks are often used although they have no natural way of handling sequences of varying length. Recurrent…

Quantitative Methods · Quantitative Biology 2016-03-14 Søren Kaae Sønderby , Casper Kaae Sønderby , Henrik Nielsen , Ole Winther

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence…

Biomolecules · Quantitative Biology 2024-12-30 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol