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Subgraph matching is challenging as it necessitates time-consuming combinatorial searches. Recent Graph Neural Network (GNN)-based approaches address this issue by employing GNN encoders to extract graph information and hinge distance…

Machine Learning · Computer Science 2025-10-02 Zhouyang Liu , Ning Liu , Yixin Chen , Jiezhong He , Menghan Jia , Dongsheng Li

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

Machine Learning · Computer Science 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

We consider the problem of learning distance-based Graph Convolutional Networks (GCNs) for relational data. Specifically, we first embed the original graph into the Euclidean space $\mathbb{R}^m$ using a relational density estimation…

Machine Learning · Computer Science 2021-10-14 Devendra Singh Dhami , Siwen Yan , Sriraam Natarajan

Understanding generalization and robustness of machine learning models fundamentally relies on assuming an appropriate metric on the data space. Identifying such a metric is particularly challenging for non-Euclidean data such as graphs.…

Machine Learning · Computer Science 2022-10-06 Ching-Yao Chuang , Stefanie Jegelka

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Graph neural networks (GNNs) achieve strong performance on relational data, but real-world graphs are often distributed across organizations that cannot share raw data due to privacy and policy constraints. Existing federated GNN methods…

Machine Learning · Computer Science 2026-05-27 Zhishuai Guo , Wenhan Wu , Chen Chen , Lei Zhang , Olivera Kotevska , Ravi K Madduri

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

Machine Learning · Computer Science 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

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

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

Machine Learning · Computer Science 2023-05-16 Huayi Tang , Yong Liu

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Machine Learning · Computer Science 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

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 (GNNs) are often used for tasks involving the 3D geometry of a given graph, such as molecular dynamics simulation. While incorporating Euclidean distance into Message Passing Neural Networks (referred to as Vanilla…

Machine Learning · Computer Science 2024-10-22 Zian Li , Xiyuan Wang , Yinan Huang , Muhan Zhang

The exponential growth of data has intensified the gap between the availability of unlabeled data and the high cost of manual annotation. Graph Neural Networks (GNNs) have emerged as a promising solution, as they exploit relational…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Rafael Mendonça Duarte , Jean Roberto Ponciano , Lucas Pascotti Valem

Representation learning is the first step in automating tasks such as research paper recommendation, classification, and retrieval. Due to the accelerating rate of research publication, together with the recognised benefits of…

Digital Libraries · Computer Science 2023-03-22 Eoghan Cunningham , Derek Greene

Graph Neural Network (GNN) is an emerging technique for graph-based learning tasks such as node classification. In this work, we reveal the vulnerability of GNN to the imbalance of node labels. Traditional solutions for imbalanced…

Machine Learning · Computer Science 2022-02-08 Xiaohe Li , Lijie Wen , Yawen Deng , Fuli Feng , Xuming Hu , Lei Wang , Zide Fan

Learning faithful graph representations as sets of vertex embeddings has become a fundamental intermediary step in a wide range of machine learning applications. The quality of the embeddings is usually determined by how well the geometry…

Machine Learning · Computer Science 2021-05-13 Federico López , Beatrice Pozzetti , Steve Trettel , Anna Wienhard

End-to-end training of graph neural networks (GNN) on large graphs presents several memory and computational challenges, and limits the application to shallow architectures as depth exponentially increases the memory and space complexities.…

Machine Learning · Computer Science 2023-09-06 Oscar Pina , Verónica Vilaplana

Many popular variants of graph neural networks (GNNs) that are capable of handling multi-relational graphs may suffer from vanishing gradients. In this work, we propose a novel GNN architecture based on the Gated Graph Neural Network with…

Machine Learning · Computer Science 2020-07-21 Denis Lukovnikov , Jens Lehmann , Asja Fischer