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The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet…

Machine Learning · Computer Science 2024-02-12 Zehao Dong , Muhan Zhang , Philip R. O. Payne , Michael A Province , Carlos Cruchaga , Tianyu Zhao , Fuhai Li , Yixin Chen

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

Machine Learning · Computer Science 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to…

Machine Learning · Computer Science 2025-05-20 Daniel Herbst , Stefanie Jegelka

Wireless networks are inherently graph-structured, which can be utilized in graph representation learning to solve complex wireless network optimization problems. In graph representation learning, feature vectors for each entity in the…

Information Theory · Computer Science 2024-10-28 Maryam Mohsenivatani , Samad Ali , Vismika Ranasinghe , Nandana Rajatheva , Matti Latva-Aho

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

Machine Learning · Computer Science 2020-10-19 Andreas Loukas

Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials. First-order GNNs are well known to be incomplete, i.e., there…

Machine Learning · Statistics 2022-11-08 Sergey N. Pozdnyakov , Michele Ceriotti

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

Machine Learning · Computer Science 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

This paper reviews graph convolutional neural networks (GCNNs) through the lens of edge-variant graph filters. The edge-variant graph filter is a finite order, linear, and local recursion that allows each node, in each iteration, to weigh…

Machine Learning · Computer Science 2019-03-05 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

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

Learning representations of sets of nodes in a graph is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in graph…

Machine Learning · Computer Science 2020-10-30 Pan Li , Yanbang Wang , Hongwei Wang , Jure Leskovec

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

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

We propose and study Hierarchical Ego Graph Neural Networks (HEGNNs), an expressive extension of graph neural networks (GNNs) with hierarchical node individualization, inspired by the Individualization-Refinement paradigm for isomorphism…

Machine Learning · Computer Science 2026-01-26 Arie Soeteman , Balder ten Cate

Filtering-based graph neural networks (GNNs) constitute a distinct class of GNNs that employ graph filters to handle graph-structured data, achieving notable success in various graph-related tasks. Conventional methods adopt a graph-wise…

Machine Learning · Computer Science 2025-05-23 Guoming Li , Jian Yang , Yifan Chen
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