Large Language Model is Secretly a Protein Sequence Optimizer

Fuente: arXiv
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Auteurs principaux: Wang, Yinkai, He, Jiaxing, Du, Yuanqi, Chen, Xiaohui, Li, Jianan Canal, Liu, Li-Ping, Xu, Xiaolin, Hassoun, Soha
Format: Preprint
Publié: 2025
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author Wang, Yinkai
He, Jiaxing
Du, Yuanqi
Chen, Xiaohui
Li, Jianan Canal
Liu, Li-Ping
Xu, Xiaolin
Hassoun, Soha
author_facet Wang, Yinkai
He, Jiaxing
Du, Yuanqi
Chen, Xiaohui
Li, Jianan Canal
Liu, Li-Ping
Xu, Xiaolin
Hassoun, Soha
contents 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 iterative process to generate variants and select via experimental feedback. We demonstrate large language models (LLMs), despite being trained on massive texts, are secretly protein sequence optimizers. With a directed evolutionary method, LLM can perform protein engineering through Pareto and experiment-budget constrained optimization, demonstrating success on both synthetic and experimental fitness landscapes.
format Preprint
id arxiv_https___arxiv_org_abs_2501_09274
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Large Language Model is Secretly a Protein Sequence Optimizer
Wang, Yinkai
He, Jiaxing
Du, Yuanqi
Chen, Xiaohui
Li, Jianan Canal
Liu, Li-Ping
Xu, Xiaolin
Hassoun, Soha
Machine Learning
Artificial Intelligence
Quantitative Methods
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 iterative process to generate variants and select via experimental feedback. We demonstrate large language models (LLMs), despite being trained on massive texts, are secretly protein sequence optimizers. With a directed evolutionary method, LLM can perform protein engineering through Pareto and experiment-budget constrained optimization, demonstrating success on both synthetic and experimental fitness landscapes.
title Large Language Model is Secretly a Protein Sequence Optimizer
topic Machine Learning
Artificial Intelligence
Quantitative Methods
url https://arxiv.org/abs/2501.09274