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To deal with distribution shifts in graph data, various graph out-of-distribution (OOD) generalization techniques have been recently proposed. These methods often employ a two-step strategy that first creates augmented environments and…

Machine Learning · Computer Science 2025-01-09 Song Wang , Xiaodong Yang , Rashidul Islam , Huiyuan Chen , Minghua Xu , Jundong Li , Yiwei Cai

Graph convolution networks (GCNs) are extensively utilized in various graph tasks to mine knowledge from spatial data. Our study marks the pioneering attempt to quantitatively investigate the GCN robustness over omnipresent heterophilic…

Machine Learning · Computer Science 2023-12-29 Chenyang Qiu , Guoshun Nan , Tianyu Xiong , Wendi Deng , Di Wang , Zhiyang Teng , Lijuan Sun , Qimei Cui , Xiaofeng Tao

Graph neural networks (GNN) suffer from severe inefficiency. It is mainly caused by the exponential growth of node dependency with the increase of layers. It extremely limits the application of stochastic optimization algorithms so that the…

Machine Learning · Computer Science 2024-04-23 Hongyuan Zhang , Yanan Zhu , Xuelong Li

We tackle the problem of graph out-of-distribution (OOD) generalization. Existing graph OOD algorithms either rely on restricted assumptions or fail to exploit environment information in training data. In this work, we propose to…

Machine Learning · Computer Science 2023-11-02 Shurui Gui , Meng Liu , Xiner Li , Youzhi Luo , Shuiwang Ji

Developing open-set classification methods capable of classifying in-distribution (ID) data while detecting out-of-distribution (OOD) samples is essential for deploying graph neural networks (GNNs) in open-world scenarios. Existing methods…

Machine Learning · Computer Science 2025-12-23 Xueqi Ma , Xingjun Ma , Sarah Monazam Erfani , Danilo Mandic , James Bailey

Out-Of-Distribution (OOD) generalization has gained increasing attentions for machine learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation under distribution shifts. Existing graph OOD methods tend to…

Machine Learning · Computer Science 2025-05-12 Henan Sun , Xunkai Li , Lei Zhu , Junyi Han , Guang Zeng , Ronghua Li , Guoren Wang

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a…

Machine Learning · Computer Science 2025-07-17 Jay Revolinsky , Harry Shomer , Jiliang Tang

Dynamic graph neural networks (DGNNs) are increasingly pervasive in exploiting spatio-temporal patterns on dynamic graphs. However, existing works fail to generalize under distribution shifts, which are common in real-world scenarios. As…

Machine Learning · Computer Science 2023-11-21 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Ziwei Zhang , Cheng Ji , Hao Peng , Jianxin Li

In recent years, Graph Convolutional Networks (GCNs) and their variants have been widely utilized in learning tasks that involve graphs. These tasks include recommendation systems, node classification, among many others. In node…

Machine Learning · Computer Science 2019-12-23 Mustafa Coskun , Burcu Bakir Gungor , Mehmet Koyuturk

Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where…

Machine Learning · Computer Science 2023-08-15 Yu Song , Donglin Wang

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes…

Machine Learning · Computer Science 2025-07-02 Yujia Yin , Tianyi Qu , Zihao Wang , Yifan Chen

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

Machine Learning · Computer Science 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

The decoupled Graph Convolutional Network (GCN), a recent development of GCN that decouples the neighborhood aggregation and feature transformation in each convolutional layer, has shown promising performance for graph representation…

Machine Learning · Computer Science 2022-11-16 Jinsong Chen , Boyu Li , Kun He

When testing data and training data come from different distributions, deep neural networks (DNNs) will face significant safety risks in practical applications. Therefore, out-of-distribution (OOD) detection techniques, which can identify…

Machine Learning · Computer Science 2026-04-01 Cheng Yang , Yu Hao , Qi Zhang , Chuan Shi

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Graph Neural Networks (GNNs) have become essential tools for graph representation learning in various domains, such as social media and healthcare. However, they often suffer from fairness issues due to inherent biases in node attributes…

Machine Learning · Computer Science 2025-01-08 Yeon-Chang Lee , Hojung Shin , Sang-Wook Kim

Out-of-distribution (OOD) graph generalization are critical for many real-world applications. Existing methods neglect to discard spurious or noisy features of inputs, which are irrelevant to the label. Besides, they mainly conduct…

Machine Learning · Computer Science 2023-06-29 Ling Yang , Jiayi Zheng , Heyuan Wang , Zhongyi Liu , Zhilin Huang , Shenda Hong , Wentao Zhang , Bin Cui

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are…

Machine Learning · Computer Science 2022-11-09 Yixin Liu , Kaize Ding , Huan Liu , Shirui Pan

Fraud detection problems are usually formulated as a machine learning problem on a graph. Recently, Graph Neural Networks (GNNs) have shown solid performance on fraud detection. The successes of most previous methods heavily rely on rich…

Machine Learning · Computer Science 2021-10-05 Chen Wang , Yingtong Dou , Min Chen , Jia Chen , Zhiwei Liu , Philip S. Yu