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Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Recent research on graph neural networks (GNNs) has explored mechanisms for capturing local uncertainty and exploiting graph hierarchies to mitigate data sparsity and leverage structural properties. However, the synergistic integration of…

Machine Learning · Computer Science 2025-05-06 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

This work considers the problem of heterogeneous graph-level anomaly detection. Heterogeneous graphs are commonly used to represent behaviours between different types of entities in complex industrial systems for capturing as much…

Machine Learning · Computer Science 2023-08-29 Jiaxi Li , Guansong Pang , Ling Chen , Mohammad-Reza Namazi-Rad

Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph…

Machine Learning · Computer Science 2024-03-29 Xiangyu Dong , Xingyi Zhang , Sibo Wang

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Machine Learning · Computer Science 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Machine Learning · Computer Science 2025-04-14 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Yunshan Ma , Xiao Wang , Meiyu Liang , Yuling Wang , Yimeng Ren , Tat-Seng Chua

Spatial arrangement of cells of various types, such as tumor infiltrating lymphocytes and the advancing edge of a tumor, are important features for detecting and characterizing cancers. However, convolutional neural networks (CNNs) do not…

Image and Video Processing · Electrical Eng. & Systems 2019-08-15 Shrey Gadiya , Deepak Anand , Amit Sethi

Graph neural networks (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

Drug combinations are frequently used for the treatment of cancer patients in order to increase efficacy, decrease adverse side effects, or overcome drug resistance. Given the enormous number of drug combinations, it is cost- and…

Molecular Networks · Quantitative Biology 2021-02-18 Peiran Jiang , Shujun Huang , Zhenyuan Fu , Zexuan Sun , Ted M. Lakowski , Pingzhao Hu

The brain's structural and functional systems, protein-protein interaction, and gene networks are examples of biological systems that share some features of complex networks, such as highly connected nodes, modularity, and small-world…

Graphical models are powerful tools to investigate complex dependency structures in high-throughput datasets. However, most existing graphical models make one of the two canonical assumptions: (i) a homogeneous graph with a common network…

Methodology · Statistics 2023-10-31 Tsung-Hung Yao , Yang Ni , Anindya Bhadra , Jian Kang , Veerabhadran Baladandayuthapani

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Heterogeneous graphs (HGs) are common in real-world scenarios and often exhibit heterophily. However, most existing studies focus on either heterogeneity or heterophily in isolation, overlooking the prevalence of heterophilic HGs in…

Machine Learning · Computer Science 2025-08-11 Qin Chen , Guojie Song

Graph Neural Networks (GNNs) have recently been found to excel in histopathology. However, an important histopathological task, where GNNs have not been extensively explored, is the classification of glomeruli health as an important…

Cancer complexome comprises a heterogeneous and multifactorial milieu that varies in cytology, physiology, signaling mechanisms and response to therapy. The combined framework of network theory and spectral graph theory along with the…

Molecular Networks · Quantitative Biology 2017-03-03 Aparna Rai , Priodyuti Pradhan , Jyothi Nagraj , K. Lohitesh , Rajdeep Chowdhury , Sarika Jalan

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Machine Learning · Computer Science 2025-10-10 Yumeng Wang , Zengyi Wo , Wenjun Wang , Xingcheng Fu , Minglai Shao

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

Protein-protein interactions (PPIs) are fundamental for deciphering cellular functions,disease pathways,and drug discovery.Although existing neural networks and machine learning methods have achieved high accuracy in PPI prediction,their…

Machine Learning · Computer Science 2025-04-30 Qingzhi Yu , Shuai Yan , Wenfeng Dai , Xiang Cheng

The exploration of cellular heterogeneity within the tumor microenvironment (TME) via single-cell RNA sequencing (scRNA-seq) is essential for understanding cancer progression and response to therapy. Current scRNA-seq approaches, however,…

Genomics · Quantitative Biology 2025-02-06 Yu-An Huang , Yue-Chao Li , Hai-Ru You , Jie Pan , Xiyue Cao , Xinyuan Li , Zhi-An Huang , Zhu-Hong You