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In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

In response to pathogens, the adaptive immune system generates specific antibodies that bind and neutralize foreign antigens. Understanding the composition of an individual's immune repertoire can provide insights into this process and…

Biomolecules · Quantitative Biology 2021-12-16 Jeffrey A. Ruffolo , Jeffrey J. Gray , Jeremias Sulam

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Antibodies safeguard our health through their precise and potent binding to specific antigens, demonstrating promising therapeutic efficacy in the treatment of numerous diseases, including COVID-19. Recent advancements in biomedical…

Machine Learning · Computer Science 2024-11-26 Mingze Yin , Hanjing Zhou , Jialu Wu , Yiheng Zhu , Yuxuan Zhan , Zitai Kong , Hongxia Xu , Chang-Yu Hsieh , Jintai Chen , Tingjun Hou , Jian Wu

Large Language Models (LLMs) have become a milestone in the field of artificial intelligence and natural language processing. However, their large-scale deployment remains constrained by the need for significant computational resources.…

Computation and Language · Computer Science 2025-08-07 Julián Camilo Velandia Gutiérrez

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

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Antibody therapeutics are among the most successful modern medicines, yet computationally designing antibodies with desirable binding and developability properties remains challenging. While protein language models (pLMs) have emerged as…

Machine Learning · Computer Science 2026-05-11 Justin Sanders , Luca Giancardo , Lan Guo , Yue Zhao , Kemal Sonmez , Nina Cheng , Melih Yilmaz

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers…

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Computation and Language · Computer Science 2023-03-03 Danqing Wang , Fei Ye , Hao Zhou

Pre-trained Large Language Models (LLMs) often struggle on out-of-domain datasets like healthcare focused text. We explore specialized pre-training to adapt smaller LLMs to different healthcare datasets. Three methods are assessed:…

Computation and Language · Computer Science 2024-04-01 Niall Taylor , Dan Schofield , Andrey Kormilitzin , Dan W Joyce , Alejo Nevado-Holgado

We consider the protein sequence engineering problem, which aims to find protein sequences with high fitness levels, starting from a given wild-type sequence. Directed evolution has been a dominating paradigm in this field which has an…

Machine Learning · Computer Science 2025-01-20 Yinkai Wang , Jiaxing He , Yuanqi Du , Xiaohui Chen , Jianan Canal Li , Li-Ping Liu , Xiaolin Xu , Soha Hassoun

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

Machine Learning · Computer Science 2025-07-31 Philip Spence , Brooks Paige , Anne Osbourn

Large Language Models (LLMs) have become a cornerstone in Natural Language Processing (NLP), achieving impressive performance in text generation. Their token-level representations capture rich, human-aligned semantics. However, pooling…

Computation and Language · Computer Science 2025-09-25 Benedikt Roth , Stephan Rappensperger , Tianming Qiu , Hamza Imamović , Julian Wörmann , Hao Shen

Sequential recommendation problems have received increasing attention in research during the past few years, leading to the inception of a large variety of algorithmic approaches. In this work, we explore how large language models (LLMs),…

Information Retrieval · Computer Science 2023-09-19 Jesse Harte , Wouter Zorgdrager , Panos Louridas , Asterios Katsifodimos , Dietmar Jannach , Marios Fragkoulis

Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

The intricate relationship between genetic variation and human diseases has been a focal point of medical research, evidenced by the identification of risk genes regarding specific diseases. The advent of advanced genome sequencing…

Quantitative Methods · Quantitative Biology 2024-01-19 Jiayu Chang , Shiyu Wang , Chen Ling , Zhaohui Qin , Liang Zhao

Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures.…