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Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Machine Learning · Computer Science 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi

Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries. Recent works have led to a surge in the development of…

Inspired by the remarkable success of foundation models in language and vision, Graph Foundation Models (GFMs) hold significant promise for broad applicability across diverse graph tasks and domains. However, existing GFMs struggle with…

Machine Learning · Computer Science 2025-11-11 Haonan Yuan , Qingyun Sun , Junhua Shi , Xingcheng Fu , Bryan Hooi , Jianxin Li , Philip S. Yu

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing…

Machine Learning · Computer Science 2022-12-29 Seiji Maekawa , Koki Noda , Yuya Sasaki , Makoto Onizuka

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from…

Machine Learning · Computer Science 2025-05-30 Jingzhe Liu , Haitao Mao , Zhikai Chen , Bingheng Li , Wenqi Fan , Mingxuan Ju , Tong Zhao , Neil Shah , Jiliang Tang

Graph Convolutional Networks (GCNs) have been successfully applied to analyze non-grid data, where the classical convolutional neural networks (CNNs) cannot be directly used. One similarity shared by GCNs and CNNs is the requirement of…

Computer Vision and Pattern Recognition · Computer Science 2020-06-04 Qikui Zhu , Bo Du , Pingkun Yan

Graph Neural Network (GNN) research has highlighted a relationship between high homophily (i.e., the tendency of nodes of the same class to connect) and strong predictive performance in node classification. However, recent work has found…

Social and Information Networks · Computer Science 2023-11-22 Donald Loveland , Jiong Zhu , Mark Heimann , Benjamin Fish , Michael T. Schaub , Danai Koutra

Graph Neural Networks (GNNs) benchmarks often report single point estimates, even when performance differences are small relative to variation across random seeds, train/test splits, and datasets. Confidence intervals, paired comparisons,…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Kleyton da Costa , Bernardo Modenesi

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

The development of scalable, representative, and widely adopted benchmarks for graph data systems have been a question for which answers has been sought for decades. We conduct an in-depth study of the existing literature on benchmarks for…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-23 Miyuru Dayarathna , Toyotaro Suzumura

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

Machine Learning · Computer Science 2021-08-03 Wentao Zhang , Zeang Sheng , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-02 Yi-Chien Lin , Viktor Prasanna

Graph neural networks (GNNs) are increasingly applied to hard optimization problems, often claiming superiority over classical heuristics. However, such claims risk being unsolid due to a lack of standard benchmarks on truly hard instances.…

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
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