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This paper reveals that large language models (LLMs), despite being trained solely on textual data, are surprisingly strong encoders for purely visual tasks in the absence of language. Even more intriguingly, this can be achieved by a…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Ziqi Pang , Ziyang Xie , Yunze Man , Yu-Xiong Wang

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Proteins are essential to life's processes, underpinning evolution and diversity. Advances in sequencing technology have revealed millions of proteins, underscoring the need for sophisticated pre-trained protein models for biological…

Biomolecules · Quantitative Biology 2024-04-25 Shujian Jiao , Bingxuan Li , Lei Wang , Xiaojin Zhang , Wei Chen , Jiajie Peng , Zhongyu Wei

This study introduces a systematic framework to compare the efficacy of Large Language Models (LLMs) for fine-tuning across various cheminformatics tasks. Employing a uniform training methodology, we assessed three well-known…

Machine Learning · Computer Science 2024-05-03 Lee Youngmin , Lang S. I. D. Andrew , Cai Duoduo , Wheat R. Stephen

Given the recent impressive accomplishments of language models (LMs) for code generation, we explore the use of LMs as adaptive mutation and crossover operators for an evolutionary neural architecture search (NAS) algorithm. While NAS still…

Neural and Evolutionary Computing · Computer Science 2023-11-17 Angelica Chen , David M. Dohan , David R. So

Language modeling studies the probability distributions over strings of texts. It is one of the most fundamental tasks in natural language processing (NLP). It has been widely used in text generation, speech recognition, machine…

Computation and Language · Computer Science 2024-07-18 Chengwei Wei , Yun-Cheng Wang , Bin Wang , C. -C. Jay Kuo

This systematic review outlines pivotal advancements in deep learning-driven protein structure prediction and design, focusing on four core models-AlphaFold, RoseTTAFold, RFDiffusion, and ProteinMPNN-developed by 2024 Nobel Laureates in…

Biological Physics · Physics 2025-04-03 Wanqing Yang , Yanwei Wang , Yang Wang

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Vision-Language Models (VLMs) have rapidly advanced by leveraging powerful pre-trained Large Language Models (LLMs) as core reasoning backbones. As new and more capable LLMs emerge with improved reasoning, instruction-following, and…

Artificial Intelligence · Computer Science 2026-04-14 Sameera Horawalavithana , Lauren Phillips , Ian Stewart , Sai Munikoti , Karl Pazdernik

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

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery. However, traditional docking methods mainly rely on scoring functions, and deep learning-based docking approaches usually neglect the…

Biomolecules · Quantitative Biology 2026-01-06 Yiqiang Yi , Xu Wan , Yatao Bian , Le Ou-Yang , Peilin Zhao

Automated planning is concerned with developing efficient algorithms to generate plans or sequences of actions to achieve a specific goal in a given environment. Emerging Large Language Models (LLMs) can answer questions, write high-quality…

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…

Machine Learning · Computer Science 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Large Language Models (LLMs) have been shown to encode clinical knowledge. Many evaluations, however, rely on structured question-answer benchmarks, overlooking critical challenges of interpreting and reasoning about unstructured clinical…

Computation and Language · Computer Science 2026-04-01 Meghal Dani , Muthu Jeyanthi Prakash , Filip Rosa , Zeynep Akata , Stefanie Liebe

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

There is considerable interest in predicting the pathogenicity of protein variants in human genes. Due to the sparsity of high quality labels, recent approaches turn to \textit{unsupervised} learning, using Multiple Sequence Alignments…

Machine Learning · Computer Science 2022-12-09 Allan Zhou , Nicholas C. Landolfi , Daniel C. O'Neill

Objective: Large language models (LLMs) are attracting increasing interest in healthcare. This commentary evaluates the potential of LLMs to improve clinical prediction models (CPMs) for diagnostic and prognostic tasks, with a focus on…

Computers and Society · Computer Science 2025-11-07 Yusuf Yildiz , Goran Nenadic , Meghna Jani , David A. Jenkins