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Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

机器学习 · 计算机科学 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

机器学习 · 计算机科学 2026-05-22 Mridul Gupta , Samyak Jain , Vansh Ramani , Hariprasad Kodamana , Sayan Ranu

In recent years, deep neural networks have been extensively employed in perceptual systems to learn representations endowed with invariances, aiming to emulate the invariance mechanisms observed in the human brain. However, studies in the…

机器学习 · 计算机科学 2025-10-21 Wei Xu , Xiaoyi Jiang , Lixiang Xu , Dechao Tang

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

机器学习 · 计算机科学 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

机器学习 · 计算机科学 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

机器学习 · 计算机科学 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin

Graph data widely exists in real life, with large amounts of data and complex structures. It is necessary to map graph data to low-dimensional embedding. Graph classification, a critical graph task, mainly relies on identifying the…

机器学习 · 计算机科学 2023-10-26 Yuan Li , Li Liu , Penggang Chen , Youmin Zhang , Guoyin Wang

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

机器学习 · 计算机科学 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

Graph neural networks (GNNs) are the dominant paradigm for classifying nodes in a graph, but they have several undesirable attributes stemming from their message passing architecture. Recently, distillation methods succeeded in eliminating…

机器学习 · 计算机科学 2024-02-09 Daniel Winter , Niv Cohen , Yedid Hoshen

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

机器学习 · 计算机科学 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

机器学习 · 计算机科学 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph Neural Networks (GNNs) have been a prevailing technique for tackling various analysis tasks on graph data. A key premise for the remarkable performance of GNNs relies on complete and trustworthy initial graph descriptions (i.e., node…

机器学习 · 计算机科学 2022-12-27 Cuiying Huo , Di Jin , Yawen Li , Dongxiao He , Yu-Bin Yang , Lingfei Wu

When engaging in end-to-end graph representation learning with Graph Neural Networks (GNNs), the intricate causal relationships and rules inherent in graph data pose a formidable challenge for the model in accurately capturing authentic…

机器学习 · 计算机科学 2024-06-14 Hang Gao , Peng Qiao , Yifan Jin , Fengge Wu , Jiangmeng Li , Changwen Zheng

The growing need for Trusted AI (TAI) highlights the importance of interpretability and robustness in machine learning models. However, many existing tools overlook graph data and rarely combine these two aspects into a single solution.…

机器学习 · 计算机科学 2026-03-23 Kirill Lukyanov , Mikhail Drobyshevskiy , Georgii Sazonov , Mikhail Soloviov , Ilya Makarov

Graph learning has rapidly evolved into a critical subfield of machine learning and artificial intelligence (AI). Its development began with early graph-theoretic methods, gaining significant momentum with the advent of graph neural…

机器学习 · 计算机科学 2025-11-10 Feng Xia , Ciyuan Peng , Jing Ren , Falih Gozi Febrinanto , Renqiang Luo , Vidya Saikrishna , Shuo Yu , Xiangjie Kong

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

机器学习 · 计算机科学 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

Graph Neural Networks (GNNs) have enjoyed wide spread applications in graph-structured data. However, existing graph based applications commonly lack annotated data. GNNs are required to learn latent patterns from a limited amount of…

机器学习 · 计算机科学 2023-03-22 Wenqi Wei , Mu Qiao , Divyesh Jadav

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

分布式、并行与集群计算 · 计算机科学 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

机器学习 · 计算机科学 2020-08-21 Md. Khaledur Rahman