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With the rapid evolution of large language models (LLM), reinforcement learning (RL) has emerged as a pivotal technique for code generation and optimization in various domains. This paper presents a systematic survey of the application of…

Designing proteins de novo with tailored structural, physicochemical, and functional properties remains a grand challenge in biotechnology, medicine, and materials science, due to the vastness of sequence space and the complex coupling…

Artificial Intelligence · Computer Science 2025-12-01 Fiona Y. Wang , Di Sheng Lee , David L. Kaplan , Markus J. Buehler

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

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

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

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

To take advantage of Large Language Model in theorem formalization and proof, we propose a reinforcement learning framework to iteratively optimize the pretrained LLM by rolling out next tactics and comparing them with the expected ones.…

Artificial Intelligence · Computer Science 2025-02-14 Zhiling Luo

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural…

Machine Learning · Computer Science 2026-05-11 Dan Ofer , Oriel Perets , Michal Linial , Nadav Rappoport

Pretrained language models (PLMs) are today the primary model for natural language processing. Despite their impressive downstream performance, it can be difficult to apply PLMs to new languages, a barrier to making their capabilities…

Computation and Language · Computer Science 2024-01-15 Yihong Chen , Kelly Marchisio , Roberta Raileanu , David Ifeoluwa Adelani , Pontus Stenetorp , Sebastian Riedel , Mikel Artetxe

Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…

Machine Learning · Computer Science 2021-09-29 Alexey Strokach , Philip M. Kim

Protein language models (PLMs) encode rich biological information, yet their internal neuron representations are poorly understood. We introduce the first automated framework for labeling every neuron in a PLM with biologically grounded…

Machine Learning · Computer Science 2025-07-10 Arjun Banerjee , David Martinez , Camille Dang , Ethan Tam

Reinforcement learning (RL) has shown impressive results in sequential decision-making tasks. Meanwhile, Large Language Models (LLMs) and Vision-Language Models (VLMs) have emerged, exhibiting impressive capabilities in multimodal…

Recent reinforcement learning (RL) methods have substantially enhanced the planning capabilities of Large Language Models (LLMs), yet the theoretical basis for their effectiveness remains elusive. In this work, we investigate RL's benefits…

Artificial Intelligence · Computer Science 2026-03-04 Siwei Wang , Yifei Shen , Haoran Sun , Shi Feng , Shang-Hua Teng , Li Dong , Yaru Hao , Wei Chen

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

We investigate how to teach large language models (LLMs) to perform scientific reasoning by leveraging expert discussions as a learning signal. Focusing on the genomics domain, we develop an automated pipeline to extract trainable data and…

Artificial Intelligence · Computer Science 2025-06-04 Ming Yin , Yuanhao Qu , Ling Yang , Le Cong , Mengdi Wang

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

Reinforcement learning (RL) has emerged as a powerful post-training technique to incentivize the reasoning ability of large language models (LLMs). However, LLMs can respond very inconsistently to RL finetuning: some show substantial…

Machine Learning · Computer Science 2025-10-07 Zhepeng Cen , Yihang Yao , William Han , Zuxin Liu , Ding Zhao

Protein language models (PLMs) have enabled advances in structure prediction and de novo protein design, yet they frequently collapse into pathological repetition during generation. Unlike in text, where repetition merely reduces…

Biomolecules · Quantitative Biology 2026-02-03 Jiahao Zhang , Zeqing Zhang , Di Wang , Lijie Hu
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