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Out-of-distribution (OOD) generalization in Graph Neural Networks (GNNs) has gained significant attention due to its critical importance in graph-based predictions in real-world scenarios. Existing methods primarily focus on extracting a…

Machine Learning · Computer Science 2025-04-21 Bowen Liu , Haoyang Li , Shuning Wang , Shuo Nie , Shanghang Zhang

Out-of-distribution (OOD) generalization remains a fundamental challenge in real-world classification, where test distributions often differ substantially from training data. Most existing approaches pursue domain-invariant representations,…

Machine Learning · Computer Science 2026-01-30 Chen Cheng , Ang Li

Graph out-of-distribution (OOD) generalization remains a major challenge in graph learning since graph neural networks (GNNs) often suffer from severe performance degradation under distribution shifts. Invariant learning, aiming to extract…

Machine Learning · Computer Science 2025-02-14 Wenyu Mao , Jiancan Wu , Haoyang Liu , Yongduo Sui , Xiang Wang

Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby…

Machine Learning · Computer Science 2025-07-08 Can Xu , Yao Cheng , Jianxiang Yu , Haosen Wang , Jingsong Lv , Yao Liu , Xiang Li

Due to the performance degradation of graph neural networks (GNNs) under distribution shifts, the work on out-of-distribution (OOD) generalization on graphs has received widespread attention. A novel perspective involves distinguishing…

Machine Learning · Computer Science 2024-06-04 Haoran Yang , Xiaobing Pei , Kai Yuan

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training…

Machine Learning · Computer Science 2023-08-17 Bin Lu , Xiaoying Gan , Ze Zhao , Shiyu Liang , Luoyi Fu , Xinbing Wang , Chenghu Zhou

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

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 spite of the tremendous development of recommender system owing to the progressive capability of machine learning recently, the current recommender system is still vulnerable to the distribution shift of users and items in realistic…

Machine Learning · Computer Science 2022-02-10 Yue He , Zimu Wang , Peng Cui , Hao Zou , Yafeng Zhang , Qiang Cui , Yong Jiang

Due to spurious correlations, machine learning systems often fail to generalize to environments whose distributions differ from the ones used at training time. Prior work addressing this, either explicitly or implicitly, attempted to find a…

Machine Learning · Computer Science 2022-10-19 Chaochao Lu , Yuhuai Wu , Jośe Miguel Hernández-Lobato , Bernhard Schölkopf

Graph data is becoming increasingly prevalent due to the growing demand for relational insights in AI across various domains. Organizations regularly use graph data to solve complex problems involving relationships and connections. Causal…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong , Xin Wang

In general, graph representation learning methods assume that the train and test data come from the same distribution. In this work we consider an underexplored area of an otherwise rapidly developing field of graph representation learning:…

Machine Learning · Computer Science 2021-12-08 Beatrice Bevilacqua , Yangze Zhou , Bruno Ribeiro

Visual representations underlie object recognition tasks, but they often contain both robust and non-robust features. Our main observation is that image classifiers may perform poorly on out-of-distribution samples because spurious…

Computer Vision and Pattern Recognition · Computer Science 2022-04-27 Chengzhi Mao , Kevin Xia , James Wang , Hao Wang , Junfeng Yang , Elias Bareinboim , Carl Vondrick

Heuristic negative sampling enhances recommendation performance by selecting negative samples of varying hardness levels from predefined candidate pools to guide the model toward learning more accurate decision boundaries. However, our…

Machine Learning · Computer Science 2025-08-12 Chu Zhao , Eneng Yang , Yizhou Dang , Jianzhe Zhao , Guibing Guo , Xingwei Wang

Explainability of graph neural networks (GNNs) aims to answer "Why the GNN made a certain prediction?", which is crucial to interpret the model prediction. The feature attribution framework distributes a GNN's prediction to its input…

Machine Learning · Computer Science 2022-02-02 Ying-Xin Wu , Xiang Wang , An Zhang , Xia Hu , Fuli Feng , Xiangnan He , Tat-Seng Chua

Spatiotemporal prediction over graphs (STPG) is crucial for transportation systems. In existing STPG models, an adjacency matrix is an important component that captures the relations among nodes over graphs. However, most studies calculate…

Machine Learning · Computer Science 2024-11-26 Zhaobin Mo , Qingyuan Liu , Baohua Yan , Longxiang Zhang , Xuan Di

Out-of-distribution (OOD) generalization remains a central challenge in deploying deep learning models to real-world scenarios, particularly in domains such as biomedical images, where distribution shifts are both subtle and pervasive.…

Computer Vision and Pattern Recognition · Computer Science 2025-10-01 Haoran Pei , Yuguang Yang , Kexin Liu , Baochang Zhang

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…

Machine Learning · Computer Science 2025-03-31 Kexin Zhang , Shuhan Liu , Song Wang , Weili Shi , Chen Chen , Pan Li , Sheng Li , Jundong Li , Kaize Ding

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…

Machine Learning · Computer Science 2024-10-24 Zhixia He , Chen Zhao , Minglai Shao , Yujie Lin , Dong Li , Qin Tian

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez