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Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Retrieval-augmented generation (RAG) enhances the question-answering (QA) abilities of large language models (LLMs) by integrating external knowledge. However, adapting general-purpose RAG systems to specialized fields such as science and…

Computation and Language · Computer Science 2025-01-28 Ran Xu , Hui Liu , Sreyashi Nag , Zhenwei Dai , Yaochen Xie , Xianfeng Tang , Chen Luo , Yang Li , Joyce C. Ho , Carl Yang , Qi He

Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat…

Machine Learning · Computer Science 2026-05-26 Gal Pomerants , Yaniv Nikankin , Anja Reusch , Tomer Tsaban , Ora Schueler-Furman , Yonatan Belinkov

Reinforcement learning (RL) has been pivotal in enhancing the reasoning capabilities of large language models (LLMs), but it often suffers from limited exploration and entropy collapse, where models exploit a narrow set of solutions,…

Machine Learning · Computer Science 2025-10-20 Shijia Kang , Muhan Zhang

The Multiple Sequence Alignment (MSA) is a computational abstraction that represents a partial summary either of indel history, or of structural similarity. Taking the former view (indel history), it is possible to use formal automata…

Populations and Evolution · Quantitative Biology 2015-06-04 Oscar Westesson , Gerton Lunter , Benedict Paten , Ian Holmes

Large language models (LLMs) demonstrate exceptional performance in numerous tasks but still heavily rely on knowledge stored in their parameters. Moreover, updating this knowledge incurs high training costs. Retrieval-augmented generation…

Computation and Language · Computer Science 2024-06-07 Yanming Liu , Xinyue Peng , Xuhong Zhang , Weihao Liu , Jianwei Yin , Jiannan Cao , Tianyu Du

While Retrieval-Augmented Generation (RAG) has exhibited promise in utilizing external knowledge, its generation process heavily depends on the quality and accuracy of the retrieved context. Large language models (LLMs) struggle to evaluate…

Computation and Language · Computer Science 2025-10-13 Shi-Qi Yan , Quan Liu , Zhen-Hua Ling

Due to the lack of a method to efficiently represent the multimodal information of a protein, including its structure and sequence information, predicting compound-protein binding affinity (CPA) still suffers from low accuracy when applying…

Biomolecules · Quantitative Biology 2022-11-28 Binjie Guo , Hanyu Zheng , Haohan Jiang , Xiaodan Li , Naiyu Guan , Yanming Zuo , Yicheng Zhang , Hengfu Yang , Xuhua Wang

Multiple sequence alignment (MSA) has been one of the most important problems in bioinformatics for more decades and it is still heavily examined by many mathematicians and biologists. However, mostly because of the practical motivation of…

Quantitative Methods · Quantitative Biology 2015-11-17 Kristóf Takács

Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers at low inference costs. Here, we trained two…

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from…

Biomolecules · Quantitative Biology 2023-10-19 Xiaomin Fang , Fan Wang , Lihang Liu , Jingzhou He , Dayong Lin , Yingfei Xiang , Xiaonan Zhang , Hua Wu , Hui Li , Le Song

Open-domain semantic parsing remains a challenging task, as neural models often rely on heuristics and struggle to handle unseen concepts. In this paper, we investigate the potential of large language models (LLMs) for this task and…

Computation and Language · Computer Science 2025-08-21 Xiao Zhang , Qianru Meng , Johan Bos

Despite the success of sequence-to-sequence approaches in automatic speech recognition (ASR) systems, the models still suffer from several problems, mainly due to the mismatch between the training and inference conditions. In the…

Computation and Language · Computer Science 2018-03-01 Andros Tjandra , Sakriani Sakti , Satoshi Nakamura

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

Retrieval-Augmented Generation (RAG) has emerged as a prominent method for incorporating domain knowledge into Large Language Models (LLMs). While RAG enhances response relevance by incorporating retrieved domain knowledge in the context,…

Computation and Language · Computer Science 2025-03-28 Kushagra Bhushan , Yatin Nandwani , Dinesh Khandelwal , Sonam Gupta , Gaurav Pandey , Dinesh Raghu , Sachindra Joshi

Statistical analysis of evolutionary-related protein sequences provides insights about their structure, function, and history. We show that Restricted Boltzmann Machines (RBM), designed to learn complex high-dimensional data and their…

Quantitative Methods · Quantitative Biology 2019-02-28 Jérôme Tubiana , Simona Cocco , Rémi Monasson

Enabling robots to learn novel tasks in a data-efficient manner is a long-standing challenge. Common strategies involve carefully leveraging prior experiences, especially transition data collected on related tasks. Although much progress…

Robotics · Computer Science 2025-03-07 Yijie Guo , Bingjie Tang , Iretiayo Akinola , Dieter Fox , Abhishek Gupta , Yashraj Narang

Low-rank adaptation (LoRA) and its variants have recently gained much interest due to their ability to avoid excessive inference costs. However, LoRA still encounters the following challenges: (1) Limitation of low-rank assumption; and (2)…

Computation and Language · Computer Science 2024-09-26 Qibin Wang , Xiaolin Hu , Weikai Xu , Wei Liu , Jian Luan , Bin Wang

The adsorption or adhesion of large particles (proteins, colloids, cells, >...) at the liquid-solid interface plays an important role in many diverse applications. Despite the apparent complexity of the process, two features are…

Statistical Mechanics · Physics 2007-05-23 J. Talbot , G. Tarjus , P. R. Van Tassel , P. Viot

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma