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Network biology has been successfully used to help reveal complex mechanisms of disease, especially cancer. On the other hand, network biology requires in-depth knowledge to construct disease-specific networks, but our current knowledge is…

Computer Vision and Pattern Recognition · Computer Science 2018-06-18 Sungmin Rhee , Seokjun Seo , Sun Kim

Deep learning tools are being used extensively in high energy physics and are becoming central in the reconstruction of neutrino interactions in particle detectors. In this work, we report on the performance of a graph neural network in…

Predicting the response of a cancer cell line to a therapeutic drug is pivotal for personalized medicine. Despite numerous deep learning methods that have been developed for drug response prediction, integrating diverse information about…

Machine Learning · Computer Science 2025-03-31 Haoyuan Shi , Tao Xu , Xiaodi Li , Qian Gao , Zhiwei Xiong , Junfeng Xia , Zhenyu Yue

Accurate drug-target interaction (DTI) prediction is essential for computational drug discovery, yet existing models often rely on single-modality predefined molecular descriptors or sequence-based embeddings with limited…

The protein-ligand binding affinity (PLA) prediction goal is to predict whether or not the ligand could bind to a protein sequence. Recently, in PLA prediction, deep learning has received much attention. Two steps are involved in deep…

Quantitative Methods · Quantitative Biology 2024-05-21 Karim Abbasi , Parvin Razzaghi , Amin Ghareyazi , Hamid R. Rabiee

Click-through rate (CTR) prediction is an essential task in web applications such as online advertising and recommender systems, whose features are usually in multi-field form. The key of this task is to model feature interactions among…

Information Retrieval · Computer Science 2020-07-27 Zekun Li , Zeyu Cui , Shu Wu , Xiaoyu Zhang , Liang Wang

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

Existing representation learning methods in graph convolutional networks are mainly designed by describing the neighborhood of each node as a perceptual whole, while the implicit semantic associations behind highly complex interactions of…

Artificial Intelligence · Computer Science 2021-01-19 Likang Wu , Zhi Li , Hongke Zhao , Qi Liu , Jun Wang , Mengdi Zhang , Enhong Chen

While deep learning has shown success in predicting traffic states, most methods treat it as a general prediction task without considering transportation aspects. Recently, graph neural networks have proven effective for this task, but few…

Machine Learning · Computer Science 2025-06-18 Zilin Bian , Jingqin Gao , Kaan Ozbay , Fan Zuo , Dachuan Zuo , Zhenning Li

Graph convolutional networks (GCNs), which can model the human body skeletons as spatial and temporal graphs, have shown remarkable potential in skeleton-based action recognition. However, in the existing GCN-based methods, graph-structured…

Computer Vision and Pattern Recognition · Computer Science 2022-10-13 Han Chen , Yifan Jiang , Hanseok Ko

Accurate identification of disease genes has consistently been one of the keys to decoding a disease's molecular mechanism. Most current approaches focus on constructing biological networks and utilizing machine learning, especially, deep…

Artificial Intelligence · Computer Science 2023-03-17 Xinyan Wang , Ting Jia , Chongyu Wang , Kuan Xu , Zixin Shu , Jian Yu , Kuo Yang , Xuezhong Zhou

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…

Genomics · Quantitative Biology 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Hypergraphs model higher-order relations that drive real-world decisions, from drug prescriptions to recommendations. A central structural signal in such data, beyond what pairwise relations can express, is interaction compositionality:…

Machine Learning · Computer Science 2026-05-19 Kyrie Zhao , Zehong Wang , Tianyi Ma , Fang Wu , Xiangru Tang , Pietro Lio , Sheng Wang , Yanfang Ye

Link prediction in structured-data is an important problem for many applications, especially for recommendation systems. Existing methods focus on how to learn the node representation based on graph-based structure. High-dimensional sparse…

Social and Information Networks · Computer Science 2021-12-28 Yifei Zhao , Mingdong Ou , Rongzhi Zhang , Meng Li

The identification of novel drug-target (DT) interactions is a substantial part of the drug discovery process. Most of the computational methods that have been proposed to predict DT interactions have focused on binary classification, where…

Machine Learning · Statistics 2019-02-06 Hakime Öztürk , Elif Ozkirimli , Arzucan Özgür

Given a signed bipartite graph (SBG) G with two disjoint node sets U and V, the goal of link sign prediction is to predict the signs of potential links connecting U and V based on known positive and negative edges in G. The majority of…

Machine Learning · Computer Science 2025-08-28 Hewen Wang , Renchi Yang , Xiaokui Xiao

GNN-based methods have achieved excellent results as a mainstream task in drug response prediction tasks in recent years. Traditional GNN methods use only the atoms in a drug molecule as nodes to obtain the representation of the molecular…

Biomolecules · Quantitative Biology 2024-12-12 Kun Li , Jia Wu , Bo Du , Sergey V. Petoukhov , Huiting Xu , Zheman Xiao , Wenbin Hu

Exploiting the wealth of imaging and non-imaging information for disease prediction tasks requires models capable of representing, at the same time, individual features as well as data associations between subjects from potentially large…

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang
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