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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

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

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

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) 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…

机器学习 · 计算机科学 2023-08-15 Yu Song , Donglin Wang

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

机器学习 · 统计学 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Few-shot Out-of-Distribution (OOD) detection has emerged as a critical research direction in machine learning for practical deployment. Most existing Few-shot OOD detection methods suffer from insufficient generalization capability for the…

计算机视觉与模式识别 · 计算机科学 2025-08-11 Pinxuan Li , Bing Cao , Changqing Zhang , Qinghua Hu

Although dynamic graph neural networks (DyGNNs) have demonstrated promising capabilities, most existing methods ignore out-of-distribution (OOD) shifts that commonly exist in dynamic graphs. Dynamic graph OOD generalization is non-trivial…

机器学习 · 计算机科学 2026-03-03 Xinxun Zhang , Pengfei Jiao , Mengzhou Gao , Tianpeng Li , Xuan Guo

Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments.…

机器学习 · 计算机科学 2024-06-04 Yinhua Piao , Sangseon Lee , Yijingxiu Lu , Sun Kim

Deep neural networks have attained remarkable performance when applied to data that comes from the same distribution as that of the training set, but can significantly degrade otherwise. Therefore, detecting whether an example is…

计算机视觉与模式识别 · 计算机科学 2020-04-02 Yen-Chang Hsu , Yilin Shen , Hongxia Jin , Zsolt Kira

Modern foundation models exhibit remarkable out-of-distribution (OOD) generalization, solving tasks far beyond the support of their training data. However, the theoretical principles underpinning this phenomenon remain elusive. This paper…

机器学习 · 统计学 2025-05-29 Jiawei Ge , Amanda Wang , Shange Tang , Chi Jin

Out-of-Distribution (OOD) generalization, a cornerstone for building robust machine learning models capable of handling data diverging from the training set's distribution, is an ongoing challenge in deep learning. While significant…

机器学习 · 计算机科学 2023-12-05 Sergey Kolesnikov

Distribution shifts between training and testing datasets significantly impair the model performance on graph learning. A commonly-taken causal view in graph invariant learning suggests that stable predictive features of graphs are causally…

机器学习 · 计算机科学 2025-12-10 Bohan Wang , Yurui Chang , Wei Jin , Lu Lin

The discrepancy between in-distribution (ID) and out-of-distribution (OOD) samples can lead to \textit{distributional vulnerability} in deep neural networks, which can subsequently lead to high-confidence predictions for OOD samples. This…

机器学习 · 计算机科学 2023-10-03 Zhilin Zhao , Longbing Cao , Kun-Yu Lin

Graph Out-of-Distribution (OOD) classification often suffers from sharp performance drops, particularly under category imbalance and structural noise. This work tackles two pressing challenges in this context: (1) the underperformance of…

机器学习 · 计算机科学 2025-06-25 Yang Zhou , Xiaoning Ren

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…

机器学习 · 计算机科学 2025-05-08 Tao Yin , Chen Zhao , Xiaoyan Liu , Minglai Shao

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

Time series remains one of the most challenging modalities in machine learning research. The out-of-distribution (OOD) detection and generalization on time series tend to suffer due to its non-stationary property, i.e., the distribution…

机器学习 · 计算机科学 2023-08-07 Wang Lu , Jindong Wang , Xinwei Sun , Yiqiang Chen , Xiangyang Ji , Qiang Yang , Xing Xie

Detecting out-of-distribution (OOD) graphs is crucial for ensuring the safety and reliability of Graph Neural Networks. In unsupervised graph-level OOD detection, models are typically trained using only in-distribution (ID) data, resulting…

机器学习 · 计算机科学 2026-03-03 Li Sun , Lanxu Yang , Jiayu Tian , Bowen Fang , Xiaoyan Yu , Junda Ye , Peng Tang , Hao Peng , Philip S. Yu

In this paper, we study the OOD generalization of neural algorithmic reasoning tasks, where the goal is to learn an algorithm (e.g., sorting, breadth-first search, and depth-first search) from input-output pairs using deep neural networks.…

机器学习 · 计算机科学 2023-03-21 Sadegh Mahdavi , Kevin Swersky , Thomas Kipf , Milad Hashemi , Christos Thrampoulidis , Renjie Liao