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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

Mutation testing is a widely recognized technique for assessing and enhancing the effectiveness of software test suites by introducing deliberate code mutations. However, its application often results in overly large test suites, as…

Software Engineering · Computer Science 2025-05-12 Mohamed Salah Bouafif , Mohammad Hamdaqa , Edward Zulkoski

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

Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Jia Zheng , Liang Hong , Bingxin Zhou

A generalized understanding of protein dynamics is an unsolved scientific problem, the solution of which is critical to the interpretation of the structure-function relationships that govern essential biological processes. Here, we approach…

For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

Molecular dynamics (MD) simulation has long been the principal computational tool for exploring protein conformational landscapes and dynamics, but its application is limited by high computational cost. We present ProTDyn, a foundation…

Biological Physics · Physics 2025-10-02 Yikai Liu , Haoyang Zheng , Lining Mao , Yanbin Wang , Ming Chen , Guang Lin

Humanoid and legged robots interact with the environment through intermittent contacts, making accurate motion estimation fundamentally dependent on reasoning about contact dynamics. However, standard sensing pipelines-whether based on…

Robotics · Computer Science 2026-05-19 Jiarong Kang , Kunzhao Ren , Tao Pang , Xiaobin Xiong

Protein Language Models (PLMs) have emerged as performant and scalable tools for predicting the functional impact and clinical significance of protein-coding variants, but they still lag experimental accuracy. Here, we present a novel…

Unlocking the next generation of biotechnology and therapeutic innovation demands overcoming the inherent complexity and resource-intensity of conventional protein engineering methods. Recent GenAI-powered computational techniques often…

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Computation and Language · Computer Science 2023-03-03 Danqing Wang , Fei Ye , Hao Zhou

We investigate the parameter space of transformer models trained on protein sequence data using a statistical mechanics framework, sampling the loss landscape at varying temperatures by Langevin dynamics to characterize the low-loss…

Disordered Systems and Neural Networks · Physics 2026-04-01 L. Ghiringhelli , A. Zambon , G. Tiana

Code generation models are widely used in software development, yet their sensitivity to prompt phrasing remains under-examined. Identical requirements expressed with different emotions or communication styles can yield divergent outputs,…

Software Engineering · Computer Science 2025-09-18 Wei Ma , Yixiao Yang , Jingquan Ge , Xiaofei Xie , Lingxiao Jiang

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

Writing high-performance code requires significant expertise in the programming language, compiler optimizations, and hardware knowledge. This often leads to poor productivity and portability and is inconvenient for a non-programmer…

Performance · Computer Science 2020-09-01 Ajitesh Srivastava , Naifeng Zhang , Rajgopal Kannan , Viktor K. Prasanna

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance…

Biomolecules · Quantitative Biology 2026-03-03 Shuo Yan , Yuliang Yan , Bin Ma , Chenao Li , Haochun Tang , Jiahua Lu , Minhua Lin , Yuyuan Feng , Enyan Dai

Protein-protein interactions are central mediators in many biological processes. Accurately predicting the effects of mutations on interactions is crucial for guiding the modulation of these interactions, thereby playing a significant role…

Machine Learning · Computer Science 2024-05-29 Yuanle Mo , Xin Hong , Bowen Gao , Yinjun Jia , Yanyan Lan

Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Biomolecules · Quantitative Biology 2025-05-05 Hocheol Lim , Geon-Ho Lee , Kyoung Tai No

Personalization in language models aims to tailor model behavior to individual users or user groups. Prompt-based methods incorporate user preferences into queries, while training-based methods encode them into model parameters. Model…

Computation and Language · Computer Science 2025-09-22 Kyuyoung Kim , Jinwoo Shin , Jaehyung Kim

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…