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Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Existing Protein Language Models (PLMs) often suffer from limited adaptability to multiple tasks and exhibit poor generalization across diverse biological contexts. In contrast, general-purpose Large Language Models (LLMs) lack the…

Machine Learning · Computer Science 2026-02-23 Yujia Wang , Jihong Guan , Wengen Li , Shuigeng Zhou , Xuhong Wang

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Reinforcement learning (RL) is a promising approach for aligning large language models (LLMs) knowledge with sequential decision-making tasks. However, few studies have thoroughly investigated the impact on LLM agents capabilities of…

Recent advancements in deep learning, particularly large language models (LLMs), made a significant impact on how researchers study microbiome and metagenomics data. Microbial protein and genomic sequences, like natural languages, form a…

Quantitative Methods · Quantitative Biology 2024-09-18 Binghao Yan , Yunbi Nam , Lingyao Li , Rebecca A. Deek , Hongzhe Li , Siyuan Ma

Large Language Models (LLMs) have demonstrated their transformative potential across numerous disciplinary studies, reshaping the existing research methodologies and fostering interdisciplinary collaboration. However, a systematic…

Computation and Language · Computer Science 2025-07-14 Lu Xiang , Yang Zhao , Yaping Zhang , Chengqing Zong

We study whether Large Language Models (LLMs) inherently capture domain-specific nuances in natural language. Our experiments probe the domain sensitivity of LLMs by examining their ability to distinguish queries from different domains…

The applications of large language models (LLMs) are promising for biomedical and healthcare research. Despite the availability of open-source LLMs trained using a wide range of biomedical data, current research on the applications of LLMs…

Machine Learning · Computer Science 2024-09-25 Tianyu Liu , Yijia Xiao , Xiao Luo , Hua Xu , W. Jim Zheng , Hongyu Zhao

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

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

Transformer-based language models (LMs) continue to achieve state-of-the-art performance on natural language processing (NLP) benchmarks, including tasks designed to mimic human-inspired "commonsense" competencies. To better understand the…

Computation and Language · Computer Science 2022-05-13 Antonio Laverghetta , Animesh Nighojkar , Jamshidbek Mirzakhalov , John Licato

Protein language models learn powerful representations directly from sequences of amino acids. However, they are constrained to generate proteins with only the set of amino acids represented in their vocabulary. In contrast, chemical…

Biomolecules · Quantitative Biology 2023-08-21 Daniel Flam-Shepherd , Kevin Zhu , Alán Aspuru-Guzik

Language models (LMs) are trained on collections of documents, written by individual human agents to achieve specific goals in an outside world. During training, LMs have access only to text of these documents, with no direct evidence of…

Computation and Language · Computer Science 2022-12-06 Jacob Andreas

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

With the rapid advancements in large language model (LLM) technology and the emergence of bioinformatics-specific language models (BioLMs), there is a growing need for a comprehensive analysis of the current landscape, computational…

Large language models (LLMs) have achieved state-of-the-art performance on a series of natural language understanding tasks. However, these LLMs might rely on dataset bias and artifacts as shortcuts for prediction. This has significantly…

Computation and Language · Computer Science 2023-05-09 Mengnan Du , Fengxiang He , Na Zou , Dacheng Tao , Xia Hu

Pre-trained language models learn informative word representations on a large-scale text corpus through self-supervised learning, which has achieved promising performance in fields of natural language processing (NLP) after fine-tuning.…

Computation and Language · Computer Science 2023-10-31 Jian Yang , Xinyu Hu , Gang Xiao , Yulong Shen

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

Probing Pre-trained Language Models (PLMs) using prompts has indirectly implied that language models (LMs) can be treated as knowledge bases. To this end, this phenomena has been effective especially when these LMs are fine-tuned towards…

Computation and Language · Computer Science 2022-04-08 M. Abaho , D. Bollegala , P. Williamson , S. Dodd
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