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Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu

Neural networks often make predictions relying on the spurious correlations from the datasets rather than the intrinsic properties of the task of interest, facing sharp degradation on out-of-distribution (OOD) test data. Existing de-bias…

Machine Learning · Computer Science 2023-01-20 Xinzhe Han , Shuhui Wang , Chi Su , Qingming Huang , Qi Tian

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

Machine Learning · Computer Science 2024-09-11 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

Machine Learning · Computer Science 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

In this work, we investigate the problem of out-of-distribution (OOD) generalization for unsupervised learning methods on graph data. This scenario is particularly challenging because graph neural networks (GNNs) have been shown to be…

Machine Learning · Computer Science 2023-08-03 Yun Zhu , Haizhou Shi , Zhenshuo Zhang , Siliang Tang

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding…

Machine Learning · Computer Science 2022-08-23 Dawei Zhou , Lecheng Zheng , Dongqi Fu , Jiawei Han , Jingrui He

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are…

Machine Learning · Computer Science 2021-12-08 Leonardo Cotta , Christopher Morris , Bruno Ribeiro

The widespread deployment of Graph Neural Networks (GNNs) sparks significant interest in their explainability, which plays a vital role in model auditing and ensuring trustworthy graph learning. The objective of GNN explainability is to…

Machine Learning · Computer Science 2023-10-31 Jialin Chen , Shirley Wu , Abhijit Gupta , Rex Ying

This paper focuses on out-of-distribution generalization on graphs where performance drops due to the unseen distribution shift. Previous graph domain generalization works always resort to learning an invariant predictor among different…

Machine Learning · Computer Science 2022-06-22 Junchi Yu , Jian Liang , Ran He

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Graph neural networks (GNNs) have achieved remarkable performance on graph-structured data. However, GNNs may inherit prejudice from the training data and make discriminatory predictions based on sensitive attributes, such as gender and…

Machine Learning · Computer Science 2024-01-31 Yibo Li , Xiao Wang , Yujie Xing , Shaohua Fan , Ruijia Wang , Yaoqi Liu , Chuan Shi

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we…

Machine Learning · Computer Science 2022-02-11 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and…

Machine Learning · Computer Science 2021-09-22 Wenzheng Feng , Jie Zhang , Yuxiao Dong , Yu Han , Huanbo Luan , Qian Xu , Qiang Yang , Evgeny Kharlamov , Jie Tang

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

Machine Learning · Computer Science 2021-10-19 Yao Ma , Xiaorui Liu , Tong Zhao , Yozen Liu , Jiliang Tang , Neil Shah