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Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

In recent years, Reinforcement Learning (RL) has emerged as a powerful tool for solving a wide range of problems, including decision-making and genomics. The exponential growth of raw genomic data over the past two decades has exceeded the…

Recent advances in reasoning with large language models (LLMs) have demonstrated strong performance on complex mathematical tasks, including combinatorial optimization. Techniques such as Chain-of-Thought and In-Context Learning have…

Artificial Intelligence · Computer Science 2025-09-17 Marylou Fauchard , Florian Carichon , Margarida Carvalho , Golnoosh Farnadi

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao

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) demonstrate transformative potential, yet their reasoning remains inconsistent and unreliable. Reinforcement learning (RL)-based fine-tuning is a key mechanism for improvement, but its effectiveness is…

Machine Learning · Computer Science 2026-02-11 Pei-Chi Pan , Yingbin Liang , Sen Lin

Large Language Models (LLMs) have demonstrated great promise in generating code, especially when used inside an evolutionary computation framework to iteratively optimize the generated algorithms. However, in some cases they fail to…

Neural and Evolutionary Computing · Computer Science 2025-03-24 Niki van Stein , Anna V. Kononova , Lars Kotthoff , Thomas Bäck

Existing Large Reasoning Models (LRMs) have shown the potential of reinforcement learning (RL) to enhance the complex reasoning capabilities of Large Language Models~(LLMs). While they achieve remarkable performance on challenging tasks…

Artificial Intelligence · Computer Science 2025-03-19 Huatong Song , Jinhao Jiang , Yingqian Min , Jie Chen , Zhipeng Chen , Wayne Xin Zhao , Lei Fang , Ji-Rong Wen

Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with…

Quantitative Methods · Quantitative Biology 2025-02-28 Taylor A Phillips , Alejandro W. Huskey , Patrick T. Huskey , Seth L. Robia , Peter M. Kekenes-Huskey

Software testing is a crucial aspect of software development, and the creation of high-quality tests that adhere to best practices is essential for effective maintenance. Recently, Large Language Models (LLMs) have gained popularity for…

Software Engineering · Computer Science 2025-01-07 Benjamin Steenhoek , Michele Tufano , Neel Sundaresan , Alexey Svyatkovskiy

Large language models~(LLMs) are expected to be helpful, harmless, and honest. In different alignment scenarios, such as safety, confidence, and general preference alignment, binary preference data collection and reward modeling are…

Computation and Language · Computer Science 2025-10-14 Shuai Zhao , Yunqiu Xu , Linchao Zhu , Yi Yang

Reward models have been increasingly critical for improving the reasoning capability of LLMs. Existing research has shown that a well-trained reward model can substantially improve model performances at inference time via search. However,…

Machine Learning · Computer Science 2024-11-28 Jiaxuan Gao , Shusheng Xu , Wenjie Ye , Weilin Liu , Chuyi He , Wei Fu , Zhiyu Mei , Guangju Wang , Yi Wu

Using Large Language Models (LLMs) to generate semantic features has been demonstrated as a powerful paradigm for enhancing Sequential Recommender Systems (SRS). This typically involves three stages: processing item text, extracting…

Information Retrieval · Computer Science 2026-01-29 Kainan Shi , Peilin Zhou , Ge Wang , Han Ding , Fei Wang

With extensive pre-trained knowledge and high-level general capabilities, large language models (LLMs) emerge as a promising avenue to augment reinforcement learning (RL) in aspects such as multi-task learning, sample efficiency, and…

Machine Learning · Computer Science 2024-11-21 Yuji Cao , Huan Zhao , Yuheng Cheng , Ting Shu , Yue Chen , Guolong Liu , Gaoqi Liang , Junhua Zhao , Jinyue Yan , Yun Li

Recent work on reinforcement learning with verifiable rewards (RLVR) has shown that large language models (LLMs) can be substantially improved using outcome-level verification signals, such as unit tests for code or exact-match checks for…

Computation and Language · Computer Science 2026-01-27 Massimiliano Pronesti , Anya Belz , Yufang Hou

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

The challenge of designing effective reward functions in reinforcement learning (RL) represents a significant bottleneck, often requiring extensive human expertise and being time-consuming. Previous work and recent advancements in large…

Machine Learning · Computer Science 2025-11-25 Franklin Cardenoso , Wouter Caarls

Achieving the effective design and improvement of reward functions in reinforcement learning (RL) tasks with complex custom environments and multiple requirements presents considerable challenges. In this paper, we propose ERFSL, an…

Machine Learning · Computer Science 2026-05-19 Guanwen Xie , Jingzehua Xu , Yiyuan Yang , Yimian Ding , Shuai Zhang

Automating molecular design using deep reinforcement learning (RL) holds the promise of accelerating the discovery of new chemical compounds. Existing approaches work with molecular graphs and thus ignore the location of atoms in space,…

Machine Learning · Statistics 2021-03-02 Gregor N. C. Simm , Robert Pinsler , José Miguel Hernández-Lobato
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