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Deep-learning pipelines for microscopy image classification often require expensive, labor- and time-intensive expert annotation to produce high-quality ground truth for training. Recent work has shown that prompt tuning of vision-language…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Abhiram Kandiyana , Ankur Mali , Lawrence O. Hall , Peter R. Mouton , Dmitry Goldgof

Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating the three-dimensional structure of protein-ligand complexes…

Biomolecules · Quantitative Biology 2023-12-21 Jiaxian Yan , Zhaofeng Ye , Ziyi Yang , Chengqiang Lu , Shengyu Zhang , Qi Liu , Jiezhong Qiu

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Peptides, short chains of amino acid residues, play a vital role in numerous biological processes by interacting with other target molecules, offering substantial potential in drug discovery. In this work, we present PepFlow, the first…

Biomolecules · Quantitative Biology 2024-06-04 Jiahan Li , Chaoran Cheng , Zuofan Wu , Ruihan Guo , Shitong Luo , Zhizhou Ren , Jian Peng , Jianzhu Ma

Heart sound diagnosis and classification play an essential role in detecting cardiovascular disorders, especially when the remote diagnosis becomes standard clinical practice. Most of the current work is designed for single category based…

Sound · Computer Science 2022-04-25 Li Guo , Steven Davenport , Yonghong Peng

Less than 1% of protein sequences are structurally and functionally annotated. Natural Language Processing (NLP) community has recently embraced self-supervised learning as a powerful approach to learn representations from unlabeled text,…

Biomolecules · Quantitative Biology 2020-12-08 Modestas Filipavicius , Matteo Manica , Joris Cadow , Maria Rodriguez Martinez

Antigenic epitope presented by major histocompatibility complex II (MHC-II) proteins plays an essential role in immunotherapy. However, compared to the more widely studied MHC-I in computational immunotherapy, the study of MHC-II antigenic…

Machine Learning · Computer Science 2025-12-17 Yue Wan , Jiayi Yuan , Zhiwei Feng , Xiaowei Jia

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

Machine Learning · Computer Science 2024-01-18 Etienne Goffinet , Raghvendra Mall , Ankita Singh , Rahul Kaushik , Filippo Castiglione

We consider the problem of semantic matching in product search: given a customer query, retrieve all semantically related products from a huge catalog of size 100 million, or more. Because of large catalog spaces and real-time latency…

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

Machine Learning · Computer Science 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Predicting molecule-protein interactions (MPIs) is a fundamental task in computational biology, with crucial applications in drug discovery and molecular function annotation. However, existing MPI models face two major challenges. First,…

Machine Learning · Computer Science 2025-12-11 Jiayu Qin , Zhengquan Luo , Guy Tadmor , Changyou Chen , David Zeevi , Zhiqiang Xu

Based on API call sequences, semantic-aware and machine learning (ML) based malware classifiers can be built for malware detection or classification. Previous works concentrate on crafting and extracting various features from malware…

Sound · Computer Science 2016-10-20 Xin Wang , Siu Ming Yiu

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Due to the rise in antimicrobial resistance, identifying novel compounds with antibiotic potential is crucial for combatting this global health issue. However, traditional drug development methods are costly and inefficient. Recognizing the…

Biomolecules · Quantitative Biology 2025-02-18 Gen Zhou , Sugitha Janarthanan , Yutong Lu , Pingzhao Hu

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…

A comprehensive and reliable survival prediction model is of great importance to assist in the personalized management of Head and Neck Cancer (HNC) patients treated with curative Radiation Therapy (RT). In this work, we propose IMLSP, an…

Computer Vision and Pattern Recognition · Computer Science 2024-05-10 Meixu Chen , Kai Wang , Jing Wang

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

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this…

Machine Learning · Computer Science 2024-01-10 Qizhi Pei , Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Yingce Xia , Shufang Xie , Tao Qin , Kun He , Tie-Yan Liu , Rui Yan

Large Language Models (LLMs) are increasingly deployed across diverse domains, raising the need for rigorous reliability assessment methods. Existing benchmark-based evaluations primarily offer descriptive statistics of model accuracy over…

Software Engineering · Computer Science 2026-01-30 Robab Aghazadeh-Chakherlou , Qing Guo , Siddartha Khastgir , Peter Popov , Xiaoge Zhang , Xingyu Zhao