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Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance…

Machine Learning · Computer Science 2021-12-15 Haoyang Li , Xin Wang , Ziwei Zhang , Wenwu Zhu

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

Machine Learning · Computer Science 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Recent studies have highlighted fairness issues in Graph Neural Networks (GNNs), where they produce discriminatory predictions against specific protected groups categorized by sensitive attributes such as race and age. While various efforts…

Machine Learning · Computer Science 2025-06-10 Yuchang Zhu , Jintang Li , Yatao Bian , Zibin Zheng , Liang Chen

Graphons are continuous models that represent the structure of graphs and allow the generation of graphs of varying sizes. We propose Scalable Implicit Graphon Learning (SIGL), a scalable method that combines implicit neural representations…

Machine Learning · Statistics 2025-05-23 Ali Azizpour , Nicolas Zilberstein , Santiago Segarra

In this paper, we propose a Graph Inception Diffusion Networks(GIDN) model. This model generalizes graph diffusion in different feature spaces, and uses the inception module to avoid the large amount of computations caused by complex…

Machine Learning · Computer Science 2024-04-03 Zixiao Wang , Yuluo Guo , Jin Zhao , Yu Zhang , Hui Yu , Xiaofei Liao , Biao Wang , Ting Yu

Graph Out-of-Distribution (OOD), requiring that models trained on biased data generalize to the unseen test data, has a massive of real-world applications. One of the most mainstream methods is to extract the invariant subgraph by aligning…

Machine Learning · Computer Science 2024-02-15 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

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…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Attention mechanisms have made significant strides in graph learning, yet they still exhibit notable limitations: local attention faces challenges in capturing long-range information due to the inherent problems of the message-passing…

Machine Learning · Computer Science 2023-10-10 Siyuan Huang , Yunchong Song , Jiayue Zhou , Zhouhan Lin

Graph neural networks (GNNs) realize great success in graph learning but suffer from performance loss when meeting heterophily, i.e. neighboring nodes are dissimilar, due to their local and uniform aggregation. Existing attempts of…

Machine Learning · Computer Science 2026-04-14 Haoyu Liu , Ningyi Liao , Siqiang Luo

Graphs model latent variable relationships in many real-world systems, and Message Passing Neural Networks (MPNNs) are widely used to learn such structures for downstream tasks. While edge-based MPNNs effectively capture local interactions,…

Machine Learning · Computer Science 2025-11-27 Thomas Bailie , Yun Sing Koh , Karthik Mukkavilli

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

Graph convolution networks (GCNs) are currently mainstream in learning with irregular data. These models rely on message passing and attention mechanisms that capture context and node-to-node relationships. With multi-head attention, GCNs…

Machine Learning · Computer Science 2022-03-28 Hichem Sahbi

In this work, we address semi-supervised classification of graph data, where the categories of those unlabeled nodes are inferred from labeled nodes as well as graph structures. Recent works often solve this problem via advanced graph…

Machine Learning · Computer Science 2020-01-20 Chunyan Xu , Zhen Cui , Xiaobin Hong , Tong Zhang , Jian Yang , Wei Liu

Most graph contrastive learning (GCL) methods heavily rely on cross-view contrast, thus facing several concomitant challenges, such as the complexity of designing effective augmentations, the potential for information loss between views,…

Machine Learning · Computer Science 2024-12-13 Qingqiang Sun , Chaoqi Chen , Ziyue Qiao , Xubin Zheng , Kai Wang

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

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

Subgraph-based graph representation learning (SGRL) has been recently proposed to deal with some fundamental challenges encountered by canonical graph neural networks (GNNs), and has demonstrated advantages in many important data science…

Machine Learning · Computer Science 2022-08-04 Haoteng Yin , Muhan Zhang , Yanbang Wang , Jianguo Wang , Pan Li

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

Machine Learning · Computer Science 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez