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Graph neural networks (GNNs) have been demonstrated to perform well in graph representation learning, but always lacking in generalization capability when tackling out-of-distribution (OOD) data. Graph invariant learning methods, backed by…

Machine Learning · Computer Science 2023-12-19 Tianrui Jia , Haoyang Li , Cheng Yang , Tao Tao , Chuan Shi

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

Successful deep neural networks discover salient features of data. We show when and why they fail to learn out-of-distribution (OOD)-relevant representations from an in-distribution (ID) training window. This requires decoupling feature…

Machine Learning · Computer Science 2026-05-14 Leonel Aguilar , Jan Nagler , Christoph Hoelscher , Nino Antulov-Fantulin

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

Learning invariant graph representations for out-of-distribution (OOD) generalization remains challenging because the learned representations often retain spurious components. To address this challenge, this work introduces a new tool from…

Machine Learning · Computer Science 2025-12-09 Barproda Halder , Pasan Dissanayake , Sanghamitra Dutta

Graph Neural Networks (GNNs)-based recommendation algorithms typically assume that training and testing data are drawn from independent and identically distributed (IID) spaces. However, this assumption often fails in the presence of…

Machine Learning · Computer Science 2025-04-03 Chu Zhao , Enneng Yang , Yuliang Liang , Pengxiang Lan , Yuting Liu , Jianzhe Zhao , Guibing Guo , Xingwei Wang

Graphs are a fundamental data structure for representing relational information in domains such as social networks, molecular systems, and knowledge graphs. However, graph learning models often suffer from limited generalization when…

Machine Learning · Computer Science 2026-01-30 Haoyang Li , Haibo Chen , Xin Wang , Wenwu Zhu

Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

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

Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of…

Machine Learning · Computer Science 2026-04-22 Simon Zhang , Ryan P. DeMilt , Kun Jin , Cathy H. Xia

Graph-level representation learning is important in a wide range of applications. Existing graph-level models are generally built on i.i.d. assumption for both training and testing graphs. However, in an open world, models can encounter…

Machine Learning · Computer Science 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

In real-world applications, it is important and desirable to learn a model that performs well on out-of-distribution (OOD) data. Recently, causality has become a powerful tool to tackle the OOD generalization problem, with the idea resting…

Machine Learning · Statistics 2022-03-25 Ruoyu Wang , Mingyang Yi , Zhitang Chen , Shengyu Zhu

Graph learning plays a pivotal role and has gained significant attention in various application scenarios, from social network analysis to recommendation systems, for its effectiveness in modeling complex data relations represented by graph…

Machine Learning · Computer Science 2024-03-08 Man Wu , Xin Zheng , Qin Zhang , Xiao Shen , Xiong Luo , Xingquan Zhu , Shirui Pan

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

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

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…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features.…

Machine Learning · Computer Science 2021-11-09 Haotian Ye , Chuanlong Xie , Tianle Cai , Ruichen Li , Zhenguo Li , Liwei Wang

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…

Machine Learning · Computer Science 2025-08-05 Xu Shen , Yixin Liu , Yili Wang , Rui Miao , Yiwei Dai , Shirui Pan , Yi Chang , Xin Wang

Traditional machine learning paradigms are based on the assumption that both training and test data follow the same statistical pattern, which is mathematically referred to as Independent and Identically Distributed ($i.i.d.$). However, in…

Machine Learning · Computer Science 2023-07-28 Jiashuo Liu , Zheyan Shen , Yue He , Xingxuan Zhang , Renzhe Xu , Han Yu , Peng Cui

Detecting out-of-distribution (OOD) data is essential for safe deployment of deep neural networks (DNNs). This problem becomes particularly challenging in the presence of long-tailed in-distribution (ID) datasets, often leading to high…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Nimeshika Udayangani , Hadi M. Dolatabadi , Sarah Erfani , Christopher Leckie