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Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to…

Machine Learning · Computer Science 2019-07-23 Aravind Sankar , Xinyang Zhang , Kevin Chen-Chuan Chang

Numerous important problems can be framed as learning from graph data. We propose a framework for learning convolutional neural networks for arbitrary graphs. These graphs may be undirected, directed, and with both discrete and continuous…

Machine Learning · Computer Science 2016-06-09 Mathias Niepert , Mohamed Ahmed , Konstantin Kutzkov

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph structured data is to make use of graph kernels, which…

Machine Learning · Computer Science 2022-08-02 Dai Hai Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

Graph Neural Networks (GNNs) face fundamental limitations in expressivity and capturing structural heterogeneity. Standard message-passing architectures are constrained by the 1-dimensional Weisfeiler-Leman (1-WL) test, unable to…

Machine Learning · Computer Science 2026-05-19 Asela Hevapathige , Ahad N. Zehmakan , Asiri Wijesinghe , Saman Halgamuge

Graph Convolutional Networks (GCNs) have been widely used due to their outstanding performance in processing graph-structured data. However, the undirected graphs limit their application scope. In this paper, we extend spectral-based graph…

Machine Learning · Computer Science 2020-04-30 Zekun Tong , Yuxuan Liang , Changsheng Sun , David S. Rosenblum , Andrew Lim

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in…

Machine Learning · Computer Science 2024-03-12 Shouheng Li , Dongwoo Kim , Qing Wang

The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a…

Machine Learning · Computer Science 2020-09-23 Ping-En Lu , Cheng-Shang Chang

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds…

Machine Learning · Computer Science 2022-11-10 Bo Xiong , Shichao Zhu , Nico Potyka , Shirui Pan , Chuan Zhou , Steffen Staab

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Graph Neural Networks (GNNs) achieve outstanding performance across graph-based tasks but remain difficult to interpret. In this paper, we revisit foundational assumptions underlying model-level explanation methods for GNNs, namely: (1)…

Machine Learning · Computer Science 2025-06-10 Hsiao-Ying Lu , Yiran Li , Ujwal Pratap Krishna Kaluvakolanu Thyagarajan , Kwan-Liu Ma

Graph neural networks (GNNs) have become a powerful tool for processing graph-structured data but still face challenges in effectively aggregating and propagating information between layers, which limits their performance. We tackle this…

Machine Learning · Computer Science 2023-02-09 Maxim Fishman , Chaim Baskin , Evgenii Zheltonozhskii , Almog David , Ron Banner , Avi Mendelson

A common theoretical approach to understanding neural networks is to take an infinite-width limit, at which point the outputs become Gaussian process (GP) distributed. This is known as a neural network Gaussian process (NNGP). However, the…

Machine Learning · Statistics 2025-06-26 Ben Anson , Edward Milsom , Laurence Aitchison

Graph Convolutional Networks (GCN) are Graph Neural Networks where the convolutions are applied over a graph. In contrast to Convolutional Neural Networks, GCN's are designed to perform inference on graphs, where the number of nodes can…

Machine Learning · Computer Science 2024-06-12 Adrian Moldovan , Angel Caţaron , Răzvan Andonie

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

Machine Learning · Computer Science 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

Neighborhood Aggregation Strategy (NAS) is a widely used approach in graph embedding, underpinning both Graph Neural Networks (GNNs) and Weisfeiler-Lehman (WL) methods. However, NAS-based methods are identified to be prone to…

Machine Learning · Computer Science 2026-02-17 Shuaibin Song , Kai Ming Ting , Kaifeng Zhang , Tianrun Liang

This paper aims at revisiting Graph Convolutional Neural Networks by bridging the gap between spectral and spatial design of graph convolutions. We theoretically demonstrate some equivalence of the graph convolution process regardless it is…

Machine Learning · Computer Science 2020-03-27 Muhammet Balcilar , Guillaume Renton , Pierre Heroux , Benoit Gauzere , Sebastien Adam , Paul Honeine

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to…

Machine Learning · Statistics 2022-11-08 Ningyuan Huang , Soledad Villar , Carey E. Priebe , Da Zheng , Chengyue Huang , Lin Yang , Vladimir Braverman