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In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not…

Machine Learning · Computer Science 2021-10-28 Eli Chien , Jianhao Peng , Pan Li , Olgica Milenkovic

We define a novel type of ensemble Graph Convolutional Network (GCN) model. Using optimized linear projection operators to map between spatial scales of graph, this ensemble model learns to aggregate information from each scale for its…

Machine Learning · Computer Science 2020-04-08 C. B. Scott , Eric Mjolsness

Graph-level anomaly detection (GAD) is critical in diverse domains such as drug discovery, yet high labeling costs and dataset imbalance hamper the performance of Graph Neural Networks (GNNs). To address these issues, we propose FracAug, an…

Machine Learning · Computer Science 2025-09-26 Xiangyu Dong , Xingyi Zhang , Sibo Wang

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their…

Machine Learning · Computer Science 2022-10-21 Davide Buffelli , Pietro Liò , Fabio Vandin

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph…

Quantum Physics · Physics 2022-10-20 Slimane Thabet , Romain Fouilland , Loic Henriet

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of GNNs with respect to their ability to discriminate…

We propose a unified framework for adaptive connection sampling in graph neural networks (GNNs) that generalizes existing stochastic regularization methods for training GNNs. The proposed framework not only alleviates over-smoothing and…

Graph convolutional neural networks (GCNNs) learn compositional representations from network data by nesting linear graph convolutions into nonlinearities. In this work, we approach GCNNs from a state-space perspective revealing that the…

Signal Processing · Electrical Eng. & Systems 2021-02-15 Luana Ruiz , Fernando Gama , Alejandro Ribeiro , Elvin Isufi

We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and…

Machine Learning · Computer Science 2020-10-12 Vikas Verma , Meng Qu , Kenji Kawaguchi , Alex Lamb , Yoshua Bengio , Juho Kannala , Jian Tang

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Machine Learning · Computer Science 2021-06-14 Jialin Dong , Da Zheng , Lin F. Yang , Geroge Karypis

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph Neural Networks (GNNs) have become the standard method for learning from networks across fields ranging from biology to social systems, yet a principled understanding of what enables them to extract meaningful representations, or why…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

Machine Learning · Computer Science 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri

Conventional graph neural networks (GNNs) are often confronted with fairness issues that may stem from their input, including node attributes and neighbors surrounding a node. While several recent approaches have been proposed to eliminate…

Machine Learning · Computer Science 2023-02-21 Zemin Liu , Trung-Kien Nguyen , Yuan Fang

Graph neural networks are emerging as continuation of deep learning success w.r.t. graph data. Tens of different graph neural network variants have been proposed, most following a neighborhood aggregation scheme, where the node features are…

Machine Learning · Computer Science 2021-02-09 Dawei Leng , Jinjiang Guo , Lurong Pan , Jie Li , Xinyu Wang

Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we…

Machine Learning · Computer Science 2024-12-10 Xinke Jiang , Rihong Qiu , Yongxin Xu , Wentao Zhang , Yichen Zhu , Ruizhe Zhang , Yuchen Fang , Xu Chu , Junfeng Zhao , Yasha Wang

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

The generalized Gauss-Newton (GGN) optimization method incorporates curvature estimates into its solution steps, and provides a good approximation to the Newton method for large-scale optimization problems. GGN has been found particularly…

Machine Learning · Computer Science 2024-04-24 Adeyemi D. Adeoye , Philipp Christian Petersen , Alberto Bemporad