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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

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

Prompting Large Language Models (LLMs), or providing context on the expected model of operation, is an effective way to steer the outputs of such models to satisfy human desiderata after they have been trained. But in rapidly evolving…

Machine Learning · Computer Science 2025-08-08 Younwoo Choi , Muhammad Adil Asif , Ziwen Han , John Willes , Rahul G. Krishnan

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on…

Biomolecules · Quantitative Biology 2025-04-03 Yingheng Wang , Zichen Wang , Gil Sadeh , Luca Zancato , Alessandro Achille , George Karypis , Huzefa Rangwala

With the advent of Large Language Models (LLMs), generating rule-based data for real-world applications has become more accessible. Due to the inherent ambiguity of natural language and the complexity of rule sets, especially in long…

Computation and Language · Computer Science 2025-04-21 Teng Wang , Zhenqi He , Wing-Yin Yu , Xiaojin Fu , Xiongwei Han

Large language models (LLMs) can perform a wide range of tasks by following natural language instructions, without the necessity of task-specific fine-tuning. Unfortunately, the performance of LLMs is greatly influenced by the quality of…

Computation and Language · Computer Science 2023-10-23 Zhihan Zhang , Shuohang Wang , Wenhao Yu , Yichong Xu , Dan Iter , Qingkai Zeng , Yang Liu , Chenguang Zhu , Meng Jiang

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

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

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

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Full integration of robots into real-life applications necessitates their ability to interpret and execute natural language directives from untrained users. Given the inherent variability in human language, equivalent directives may be…

Robotics · Computer Science 2025-04-08 Eran Beeri Bamani , Eden Nissinman , Rotem Atari , Nevo Heimann Saadon , Avishai Sintov

Due to limited supervised training data, large language models (LLMs) are typically pre-trained via a self-supervised "predict the next word" objective on a vast amount of unstructured text data. To make the resulting model useful to users,…

Computation and Language · Computer Science 2026-01-30 Ajay Patel , Colin Raffel , Chris Callison-Burch

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Human-robot collaboration in industrial settings requires precise and reliable communication to enhance operational efficiency. While Large Language Models (LLMs) understand general language, they often lack the domain-specific rigidity…

Robotics · Computer Science 2026-04-07 Xinyun Huo , Raghav Gnanasambandam , Xinyao Zhang

Instruction tuning has emerged as the key in aligning large language models (LLMs) with specific task instructions, thereby mitigating the discrepancy between the next-token prediction objective and users' actual goals. To reduce the labor…

Computation and Language · Computer Science 2024-04-10 Zifeng Wang , Chun-Liang Li , Vincent Perot , Long T. Le , Jin Miao , Zizhao Zhang , Chen-Yu Lee , Tomas Pfister

Large language models (LLMs) have significantly advanced protein representation learning. However, their capacity to interpret and design antibodies through natural language remains limited. To address this challenge, we present…

Quantitative Methods · Quantitative Biology 2026-05-21 Ling Luo , Wenbin Jiang , Hongyuan Chang , Xinkang Wang , Xushi Zhang , Yueting Xiong , Mengsha Tong , Rongshan Yu

Large Language Models (LLMs) have demonstrated impressive capabilities in creative tasks such as storytelling and E-mail generation. However, as LLMs are primarily trained on final text results rather than intermediate revisions, it might…

Computation and Language · Computer Science 2023-12-21 Lei Shu , Liangchen Luo , Jayakumar Hoskere , Yun Zhu , Yinxiao Liu , Simon Tong , Jindong Chen , Lei Meng

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