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Protein language models (PLMs) are becoming practical tools for de novo protein design, yet their dual-use potential raises safety concerns. We show that domain adaptation to specific taxonomic groups can elicit toxic protein generation,…

Machine Learning · Computer Science 2026-03-05 Manuel Fernández Burda , Santiago Aranguri , Iván Arcuschin Moreno , Enzo Ferrante

Self-supervised neural language models with attention have recently been applied to biological sequence data, advancing structure, function and mutational effect prediction. Some protein language models, including MSA Transformer and…

Biomolecules · Quantitative Biology 2022-10-25 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol

Pre-trained Vision-Language Models (VLMs) have been exploited in various Computer Vision tasks (e.g., few-shot recognition) via model adaptation, such as prompt tuning and adapters. However, existing adaptation methods are designed by human…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Kun Ding , Ying Wang , Shiming Xiang

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

This research presents a novel application of Evolutionary Computation to the domain of residential electric vehicle (EV) energy management. While reinforcement learning (RL) achieves high performance in vehicle-to-grid (V2G) optimization,…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Vishesh Purnananda , Benjamin John Wruck , Mingyu Guo

The high computational costs of large language models (LLMs) have led to a flurry of research on LLM compression, via methods such as quantization, sparsification, or structured pruning. A new frontier in this area is given by dynamic,…

Machine Learning · Computer Science 2025-07-02 Oliver Sieberling , Denis Kuznedelev , Eldar Kurtic , Dan Alistarh

To reduce experimental effort associated with directed protein evolution and to explore the sequence space encoded by mutating multiple positions simultaneously, we incorporate machine learning in the directed evolution workflow.…

Biomolecules · Quantitative Biology 2020-01-07 Zachary Wu , S. B. Jennifer Kan , Russell D. Lewis , Bruce J. Wittmann , Frances H. Arnold

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Recent developments in Natural Language Processing (NLP) demonstrate that large-scale, self-supervised pre-training can be extremely beneficial for downstream tasks. These ideas have been adapted to other domains, including the analysis of…

Computation and Language · Computer Science 2021-02-02 Matthew B. A. McDermott , Brendan Yap , Harry Hsu , Di Jin , Peter Szolovits

In this study, we expand upon the FLIP benchmark-designed for evaluating protein fitness prediction models in small, specialized prediction tasks-by assessing the performance of state-of-the-art large protein language models, including…

Machine Learning · Computer Science 2025-01-31 Manuel F. Mollon , Joaquin Gonzalez-Rodriguez , Alicia Lozano-Diez , Daniel Ramos , Doroteo T. Toledano

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

Recent Multimodal Large Language Models (MLLMs) have demonstrated strong performance on vision-language understanding tasks, yet their inference efficiency is often hampered by the large number of visual tokens, particularly in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Jiafei Song , Fengwei Zhou , Jin Qu , Wenjin Jason Li , Tong Wu , Gengjian Xue , Zhikang Zhao , Daomin Wei , Yichao Lu , Bailin Na

Language models have emerged as powerful predictors of the viability of biological sequences. During training these models learn the rules of the grammar obeyed by sequences of amino acids or nucleotides. Once trained, these models can take…

Machine Learning · Computer Science 2025-04-25 Pranav Kantroo , Günter P. Wagner , Benjamin B. Machta

Post-training pruning has emerged as a crucial optimization technique as large language models (LLMs) continue to grow rapidly. However, the significant variations in weight distributions across different LLMs make fixed pruning strategies…

Computation and Language · Computer Science 2025-05-26 Shuqi Liu , Bowei He , Han Wu , Linqi Song

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

Protein language models (PLMs) learn probability distributions over natural protein sequences. By learning from hundreds of millions of natural protein sequences, protein understanding and design capabilities emerge. Recent works have shown…

Quantitative Methods · Quantitative Biology 2026-02-27 Timothy Fei Truong , Tristan Bepler

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

Protein structure prediction often hinges on multiple sequence alignments (MSAs), which underperform on low-homology and orphan proteins. We introduce PLAME, a lightweight MSA design framework that leverages evolutionary embeddings from…

Machine Learning · Computer Science 2025-09-29 Hanqun Cao , Xinyi Zhou , Zijun Gao , Chenyu Wang , Xin Gao , Zhi Zhang , Cesar de la Fuente-Nunez , Chunbin Gu , Ge Liu , Pheng-Ann Heng

Data-driven predictive methods which can efficiently and accurately transform protein sequences into biologically active structures are highly valuable for scientific research and medical development. Determining accurate folding landscape…

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang
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