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The problem of out-of-distribution detection for graph classification is far from being solved. The existing models tend to be overconfident about OOD examples or completely ignore the detection task. In this work, we consider this problem…

机器学习 · 计算机科学 2022-06-23 Gleb Bazhenov , Sergei Ivanov , Maxim Panov , Alexey Zaytsev , Evgeny Burnaev

Out-of-distribution (OOD) detection poses a significant challenge for Graph Neural Networks (GNNs), particularly in open-world scenarios with varying distribution shifts. Most existing OOD detection methods on graphs primarily focus on…

机器学习 · 计算机科学 2024-10-24 Zhixia He , Chen Zhao , Minglai Shao , Yujie Lin , Dong Li , Qin Tian

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…

机器学习 · 计算机科学 2023-11-02 Shurui Gui , Meng Liu , Xiner Li , Youzhi Luo , Shuiwang Ji

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…

机器学习 · 计算机科学 2023-08-03 Yun Zhu , Haizhou Shi , Zhenshuo Zhang , Siliang Tang

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate…

机器学习 · 计算机科学 2025-03-31 Kexin Zhang , Shuhan Liu , Song Wang , Weili Shi , Chen Chen , Pan Li , Sheng Li , Jundong Li , Kaize Ding

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…

机器学习 · 计算机科学 2023-11-21 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Ziwei Zhang , Cheng Ji , Hao Peng , Jianxin Li

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate…

机器学习 · 计算机科学 2025-11-25 Yue Hou , Ruomei Liu , Yingke Su , Junran Wu , Ke Xu

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…

机器学习 · 计算机科学 2021-12-15 Haoyang Li , Xin Wang , Ziwei Zhang , Wenwu Zhu

Graph anomaly detection (GAD) is a vital task since even a few anomalies can pose huge threats to benign users. Recent semi-supervised GAD methods, which can effectively leverage the available labels as prior knowledge, have achieved…

机器学习 · 计算机科学 2023-06-21 Shuang Zhou , Xiao Huang , Ninghao Liu , Huachi Zhou , Fu-Lai Chung , Long-Kai Huang

Graph anomaly detection (GAD) is a vital task since even a few anomalies can pose huge threats to benign users. Recent semi-supervised GAD methods, which can effectively leverage the available labels as prior knowledge, have achieved…

机器学习 · 计算机科学 2023-07-25 Shuang Zhou , Xiao Huang , Ninghao Liu , Fu-Lai Chung , Long-Kai Huang

To build safe and reliable graph machine learning systems, unsupervised graph-level anomaly detection (GLAD) and unsupervised graph-level out-of-distribution (OOD) detection (GLOD) have received significant attention in recent years. Though…

机器学习 · 计算机科学 2025-04-07 Yili Wang , Yixin Liu , Xu Shen , Chenyu Li , Kaize Ding , Rui Miao , Ying Wang , Shirui Pan , Xin Wang

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

机器学习 · 计算机科学 2024-07-23 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

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…

机器学习 · 计算机科学 2024-02-15 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of…

机器学习 · 计算机科学 2022-09-28 Shurui Gui , Xiner Li , Limei Wang , Shuiwang Ji

Out-of-distribution (OOD) generalization has emerged as a critical challenge in graph learning, as real-world graph data often exhibit diverse and shifting environments that traditional models fail to generalize across. A promising solution…

机器学习 · 计算机科学 2025-08-05 Xu Shen , Yixin Liu , Yili Wang , Rui Miao , Yiwei Dai , Shirui Pan , Yi Chang , Xin Wang

Graph machine learning has witnessed rapid growth, driving advancements across diverse domains. However, the in-distribution assumption, where training and testing data share the same distribution, often breaks in real-world scenarios,…

机器学习 · 计算机科学 2025-02-13 Tingyi Cai , Yunliang Jiang , Yixin Liu , Ming Li , Changqin Huang , Shirui Pan

There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean…

机器学习 · 计算机科学 2024-08-19 Qitian Wu , Hengrui Zhang , Junchi Yan , David Wipf

Graph neural networks (GNNs) have found widespread application in modeling graph data across diverse domains. While GNNs excel in scenarios where the testing data shares the distribution of their training counterparts (in distribution, ID),…

机器学习 · 计算机科学 2024-01-15 Luzhi Wang , Dongxiao He , He Zhang , Yixin Liu , Wenjie Wang , Shirui Pan , Di Jin , Tat-Seng Chua

Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses…

机器学习 · 计算机科学 2022-10-12 Yongqiang Chen , Yonggang Zhang , Yatao Bian , Han Yang , Kaili Ma , Binghui Xie , Tongliang Liu , Bo Han , James Cheng