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Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability.…

Machine Learning · Computer Science 2024-10-17 Jing Ma

Machine learning can benefit from causal discovery for interpretation and from causal inference for generalization. In this line of research, a few invariant learning algorithms for out-of-distribution (OOD) generalization have been…

Machine Learning · Computer Science 2023-04-06 Borja Guerrero Santillan

The existing methods learn geographic network representations through deep graph neural networks (GNNs) based on the i.i.d. assumption. However, the spatial heterogeneity and temporal dynamics of geographic data make the out-of-distribution…

Machine Learning · Computer Science 2025-03-26 Yuhan Wang , Silu He , Qinyao Luo , Hongyuan Yuan , Ling Zhao , Jiawei Zhu , Haifeng Li

Graph neural networks (GNNs) are proven effective in extracting complex node and structural information from graph data. While current GNNs perform well in node classification tasks within in-distribution (ID) settings, real-world scenarios…

Machine Learning · Computer Science 2025-05-08 Tao Yin , Chen Zhao , Xiaoyan Liu , Minglai Shao

This paper focuses on a significant yet challenging task: out-of-distribution detection (OOD detection), which aims to distinguish and reject test samples with semantic shifts, so as to prevent models trained on in-distribution (ID) data…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Xiang Fang , Arvind Easwaran , Blaise Genest , Ponnuthurai Nagaratnam Suganthan

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

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

The invariance principle from causality is at the heart of notable approaches such as invariant risk minimization (IRM) that seek to address out-of-distribution (OOD) generalization failures. Despite the promising theory, invariance…

Domain generalization (DG) is essentially an out-of-distribution problem, aiming to generalize the knowledge learned from multiple source domains to an unseen target domain. The mainstream is to leverage statistical models to model the…

Machine Learning · Computer Science 2022-03-29 Fangrui Lv , Jian Liang , Shuang Li , Bin Zang , Chi Harold Liu , Ziteng Wang , Di Liu

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

With the progressive advancements in deep graph learning, out-of-distribution (OOD) detection for graph data has emerged as a critical challenge. While the efficacy of auxiliary datasets in enhancing OOD detection has been extensively…

Machine Learning · Computer Science 2024-08-01 Junwei He , Qianqian Xu , Yangbangyan Jiang , Zitai Wang , Yuchen Sun , Qingming Huang

The issue of distribution shifts is emerging as a critical concern in graph representation learning. From the perspective of invariant learning and stable learning, a recently well-established paradigm for out-of-distribution…

Machine Learning · Computer Science 2023-12-22 Yongduo Sui , Qitian Wu , Jiancan Wu , Qing Cui , Longfei Li , Jun Zhou , Xiang Wang , Xiangnan He

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,…

Machine Learning · Computer Science 2025-02-13 Tingyi Cai , Yunliang Jiang , Yixin Liu , Ming Li , Changqin Huang , Shirui Pan

Out-of-distribution generalization under distributional shifts remains a critical challenge for graph neural networks. Existing methods generally adopt the Invariant Risk Minimization (IRM) framework, requiring costly environment…

Machine Learning · Computer Science 2025-10-24 Yang Qiu , Yixiong Zou , Jun Wang , Wei Liu , Xiangyu Fu , Ruixuan Li

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

Detecting out-of-distribution (OOD) examples is crucial to guarantee the reliability and safety of deep neural networks in real-world settings. In this paper, we offer an innovative perspective on quantifying the disparities between…

Machine Learning · Computer Science 2024-01-17 Jinggang Chen , Junjie Li , Xiaoyang Qu , Jianzong Wang , Jiguang Wan , Jing Xiao

The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. Traditional detection methods need to trade off OOD detection and in-distribution (ID)…

Machine Learning · Computer Science 2024-04-25 Xu Shen , Yili Wang , Kaixiong Zhou , Shirui Pan , Xin Wang

Graph Neural Networks (GNNs) are susceptible to distribution shifts, creating vulnerability and security issues in critical domains. There is a pressing need to enhance the generalizability of GNNs on out-of-distribution (OOD) test data.…

Machine Learning · Computer Science 2024-10-29 Xiaoxue Han , Huzefa Rangwala , Yue Ning

A fundamental challenge in the empirical sciences involves uncovering causal structure through observation and experimentation. Causal discovery entails linking the conditional independence (CI) invariances in observational data to their…

Machine Learning · Statistics 2025-11-04 Zihan Zhou , Muhammad Qasim Elahi , Murat Kocaoglu

Out-of-Distribution (OOD) Generalization aims to learn robust models that generalize well to various environments without fitting to distribution-specific features. Recent studies based on Lottery Ticket Hypothesis (LTH) address this…

Machine Learning · Computer Science 2023-10-26 Zhuo Huang , Muyang Li , Li Shen , Jun Yu , Chen Gong , Bo Han , Tongliang Liu