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The function of a protein is defined by its interaction partners. Thus, topology-driven network alignment of the protein-protein interaction (PPI) networks of two species should uncover similar interaction patterns and allow identification…

Deep neural networks excel at comprehending complex visual signals, delivering on par or even superior performance to that of human experts. However, ad-hoc visual explanations of model decisions often reveal an alarming level of reliance…

计算机视觉与模式识别 · 计算机科学 2021-05-03 Dong Wang , Yuewei Yang , Chenyang Tao , Zhe Gan , Liqun Chen , Fanjie Kong , Ricardo Henao , Lawrence Carin

Hypergraphs offer a generalized framework for capturing high-order relationships between entities and have been widely applied in various domains, including healthcare, social networks, and bioinformatics. Hypergraph neural networks, which…

机器学习 · 计算机科学 2025-12-03 Akash Choudhuri , Yongjian Zhong , Bijaya Adhikari

Multi-scale biomedical knowledge networks are expanding with emerging experimental technologies that generates multi-scale biomedical big data. Link prediction is increasingly used especially in bipartite biomedical networks to identify…

社会与信息网络 · 计算机科学 2022-02-25 Jinjiang Guo , Jie Li , Dawei Leng , Lurong Pan

Identifying interactions between proteins is important to understand underlying biological processes. Extracting a protein-protein interaction (PPI) from the raw text is often very difficult. Previous supervised learning methods have used…

定量方法 · 定量生物学 2018-08-10 Mahtab Ahmed , Jumayel Islam , Muhammad Rifayat Samee , Robert E. Mercer

Detecting protein-protein interactions (PPIs) is crucial for understanding genetic mechanisms, disease pathogenesis, and drug design. However, with the fast-paced growth of biomedical literature, there is a growing need for automated and…

计算与语言 · 计算机科学 2023-12-14 Hasin Rehana , Nur Bengisu Çam , Mert Basmaci , Jie Zheng , Christianah Jemiyo , Yongqun He , Arzucan Özgür , Junguk Hur

In this paper, we propose HiPoNet, an end-to-end differentiable neural network for regression, classification, and representation learning on high-dimensional point clouds. Our work is motivated by single-cell data which can have very…

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

计算工程、金融与科学 · 计算机科学 2012-11-27 Sriganesh Srihari , Hon Wai Leong

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

生物大分子 · 定量生物学 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

机器学习 · 计算机科学 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

基因组学 · 定量生物学 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Graph-structured data provide a comprehensive description of complex systems, encompassing not only the interactions among nodes but also the intrinsic features that characterize these nodes. These features play a fundamental role in the…

物理与社会 · 物理学 2023-11-27 Roya Aliakbarisani , M. Ángeles Serrano , Marián Boguñá

Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier…

定量方法 · 定量生物学 2026-05-22 Kingsley Yeon , Xuefeng Liu , Promit Ghosal

Multi-omics data offer unprecedented insights into complex biological systems, yet their high dimensionality, sparsity, and intricate interactions pose significant analytical challenges. Network-based approaches have advanced multi-omics…

Hypergraphs provide an effective modeling approach for modeling high-order relationships in many real-world datasets. To capture such complex relationships, several hypergraph neural networks have been proposed for learning hypergraph…

机器学习 · 计算机科学 2024-04-08 Rongping Ye , Xiaobing Pei , Haoran Yang , Ruiqi Wang

Aberrant protein-protein interactions (PPIs) underpin a plethora of human diseases, and disruption of these harmful interactions constitute a compelling treatment avenue. Advances in computational approaches to PPI prediction have closely…

生物大分子 · 定量生物学 2025-07-29 François Charih , James R. Green , Kyle K. Biggar

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized…

生物大分子 · 定量生物学 2024-07-24 Yang Zhang , Zhewei Wei , Ye Yuan , Chongxuan Li , Wenbing Huang

Leveraging hypergraph structures to model advanced processes has gained much attention over the last few years in many areas, ranging from protein-interaction in computational biology to image retrieval using machine learning. Hypergraph…

人机交互 · 计算机科学 2021-12-07 Maximilian T. Fischer , Alexander Frings , Daniel A. Keim , Daniel Seebacher