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Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

Machine Learning · Computer Science 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

While a growing body of literature has been studying new Graph Neural Networks (GNNs) that work on both homophilic and heterophilic graphs, little has been done on adapting classical GNNs to less-homophilic graphs. Although the ability to…

Machine Learning · Computer Science 2024-04-30 Shouheng Li , Dongwoo Kim , Qing Wang

Link prediction is a fundamental problem in many graph based applications, such as protein-protein interaction prediction. Graph neural network (GNN) has recently been widely used for link prediction. However, existing GNN based link…

Machine Learning · Computer Science 2023-03-02 Kai-Lang Yao , Wu-Jun Li

Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered…

Machine Learning · Computer Science 2023-03-03 Deyu Bo , Chuan Shi , Lele Wang , Renjie Liao

Physics-informed Graph Neural Networks have achieved remarkable performance in learning through graph-structured data by mitigating common GNN challenges such as over-smoothing, over-squashing, and heterophily adaption. Despite these…

Machine Learning · Computer Science 2024-06-13 Dai Shi , Andi Han , Lequan Lin , Yi Guo , Zhiyong Wang , Junbin Gao

Graph Convolutional Networks (GCNs) have become a standard approach for semi-supervised node classification, yet practitioners lack clear guidance on when GCNs provide meaningful improvements over simpler baselines. We present a diagnostic…

Machine Learning · Computer Science 2025-12-16 Nischal Subedi , Ember Kerstetter , Winnie Li , Silo Murphy

Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning,…

Machine Learning · Computer Science 2025-11-03 Angelica Liguori , Ettore Ritacco , Pietro Sabatino , Annalisa Socievole

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

In this paper, we propose a generic and simple strategy for utilizing stochastic gradient information in optimization. The technique essentially contains two consecutive steps in each iteration: 1) computing and normalizing each block…

Machine Learning · Computer Science 2018-04-24 Adams Wei Yu , Lei Huang , Qihang Lin , Ruslan Salakhutdinov , Jaime Carbonell

Graph neural networks (GNNs) excel in modeling relational data such as biological, social, and transportation networks, but the underpinnings of their success are not well understood. Traditional complexity measures from statistical…

Machine Learning · Computer Science 2024-01-24 Cheng Shi , Liming Pan , Hong Hu , Ivan Dokmanić

Convolutional neural networks (CNNs) have achieved remarkable performance in hyperspectral image (HSI) classification over the last few years. Despite the progress that has been made, rich and informative spectral information of HSI has…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Huiling Wang

Recently, heterogeneous graph neural networks (HGNNs) have achieved impressive success in representation learning by capturing long-range dependencies and heterogeneity at the node level. However, few existing studies have delved into the…

Machine Learning · Computer Science 2024-04-17 Jinhui Yuan , Shan Lu , Peibo Duan , Jieyue He

Graph Comparative Learning (GCL) is a self-supervised method that combines the advantages of Graph Convolutional Networks (GCNs) and comparative learning, making it promising for learning node representations. However, the GCN encoders used…

Machine Learning · Computer Science 2023-12-12 Ruyue Liu , Rong Yin , Yong Liu , Weiping Wang

Graph Neural Networks (GNNs) have been widely adopted due to their strong performance. However, GNN training often relies on expensive, high-performance computing platforms, limiting accessibility for many tasks. Profiling of representative…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-12 Tong Qiao , Ao Zhou , Yingjie Qi , Yiou Wang , Han Wan , Jianlei Yang , Chunming Hu

The optimization problem behind neural networks is highly non-convex. Training with stochastic gradient descent and variants requires careful parameter tuning and provides no guarantee to achieve the global optimum. In contrast we show…

Machine Learning · Computer Science 2016-10-31 Antoine Gautier , Quynh Nguyen , Matthias Hein

Graph Neural Networks (GNNs) excel in various graph learning tasks but face computational challenges when applied to large-scale graphs. A promising solution is to remove non-essential edges to reduce the computational overheads in GNN.…

Machine Learning · Computer Science 2024-02-05 Guibin Zhang , Yanwei Yue , Kun Wang , Junfeng Fang , Yongduo Sui , Kai Wang , Yuxuan Liang , Dawei Cheng , Shirui Pan , Tianlong Chen

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

Machine Learning · Computer Science 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

Machine Learning · Computer Science 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Heterogeneous Graph Neural Networks (HGNNs) have expanded graph representation learning to heterogeneous graph fields. Recent studies have demonstrated their superior performance across various applications, including medical analysis and…

Hardware Architecture · Computer Science 2024-08-28 Runzhen Xue , Mingyu Yan , Dengke Han , Zhimin Tang , Xiaochun Ye , Dongrui Fan
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