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Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

Proteins perform their functions usually by interacting with other proteins. Predicting which proteins interact is a fundamental problem. Experimental methods are slow, expensive, and have a high rate of error. Many computational methods…

Biomolecules · Quantitative Biology 2017-05-22 Yiwei Li , Lucian Ilie

Determining the localization of specific protein in human cells is important for understanding cellular functions and biological processes of underlying diseases. Among imaging techniques, high-throughput fluorescence microscopy imaging is…

Computer Vision and Pattern Recognition · Computer Science 2019-02-01 Yijun Tian

Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving physical systems described by partial differential equations (PDEs). However, their accuracy in dynamical systems, particularly those involving sharp…

Computational Physics · Physics 2026-03-03 Wei Wang , Tang Paai Wong , Haihui Ruan , Somdatta Goswami

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

Identification of human genes involved in the aging process is critical due to the incidence of many diseases with age. A state-of-the-art approach for this purpose infers a weighted dynamic aging-specific subnetwork by mapping gene…

Molecular Networks · Quantitative Biology 2022-05-27 Qi Li , Khalique Newaz , Tijana Milenković

Automatically extracting Protein-Protein Interactions (PPI) from biomedical literature provides additional support for precision medicine efforts. This paper proposes a novel memory network-based model (MNM) for PPI extraction, which…

Computation and Language · Computer Science 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Physics-Informed Neural Networks (PINNs) seek to solve partial differential equations (PDEs) with deep learning. Mainstream approaches that deploy fully-connected multi-layer deep learning architectures require prolonged training to achieve…

Machine Learning · Computer Science 2025-12-16 Shaghayegh Fazliani , Zachary Frangella , Madeleine Udell

Identifying key nodes in social networks plays a crucial role in timely blocking false information. Existing key node identification methods usually consider node influence only from the propagation structure perspective and have…

Social and Information Networks · Computer Science 2024-03-25 Qiang Zhang , Jiawei Liu , Fanrui Zhang , Xiaoling Zhu , Zheng-Jun Zha

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Physics-informed neural networks (PINNs) are a new tool for solving boundary value problems by defining loss functions of neural networks based on governing equations, boundary conditions, and initial conditions. Recent investigations have…

Computational Engineering, Finance, and Science · Computer Science 2023-11-14 Ali Harandi , Ahmad Moeineddin , Michael Kaliske , Stefanie Reese , Shahed Rezaei

Accurately predicting complex protein-protein interactions (PPIs) is crucial for decoding biological processes, from cellular functioning to disease mechanisms. However, experimental methods for determining PPIs are computationally…

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Deep learning-based object recognition systems can be easily fooled by various adversarial perturbations. One reason for the weak robustness may be that they do not have part-based inductive bias like the human recognition process.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Xiao Li , Yining Liu , Na Dong , Sitian Qin , Xiaolin Hu

Recent advancements in large multimodal models (LMMs) have leveraged extensive multimodal datasets to enhance capabilities in complex knowledge-driven tasks. However, persistent challenges in perceptual and reasoning errors limit their…

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Machine Learning · Computer Science 2007-05-23 Michael Terribilini , Jae-Hyung Lee , Changhui Yan , Robert L. Jernigan , Susan Carpenter , Vasant Honavar , Drena Dobbs

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Machine Learning · Statistics 2018-06-12 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Explainability is necessary for many tasks in biomedical research. Recent explainability methods have focused on attention, gradient, and Shapley value. These do not handle data with strong associated prior knowledge and fail to constrain…

Machine Learning · Computer Science 2026-05-20 Yoshitaka Inoue , Tianfan Fu , Augustin Luna

Link prediction, a foundational task in complex network analysis, has extensive applications in critical scenarios such as social recommendation, drug target discovery, and knowledge graph completion. However, existing evaluations of…

Other Statistics · Statistics 2025-12-30 Yilin Bi , Junhao Bian , Shuyan Wan , Shuaijia Wang , Tao Zhou

The protein-protein interaction (PPI) network provides an overview of the complex biological reactions vital to an organism's metabolism and survival. Even though in the past PPI network were compared across organisms in detail, there has…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Long-Huei Chen , Mohana Prasad Sathya Moorthy , Pratyaksh Sharma
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