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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

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…

机器学习 · 计算机科学 2024-08-01 Junwei He , Qianqian Xu , Yangbangyan Jiang , Zitai Wang , Yuchen Sun , Qingming Huang

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

Invariant learning demonstrates substantial potential for enhancing the generalization of graph neural networks (GNNs) with out-of-distribution (OOD) data. It aims to recognize stable features in graph data for classification, based on the…

机器学习 · 计算机科学 2025-01-23 Yongduo Sui , Jie Sun , Shuyao Wang , Zemin Liu , Qing Cui , Longfei Li , Xiang Wang

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…

机器学习 · 计算机科学 2025-05-12 Henan Sun , Xunkai Li , Lei Zhu , Junyi Han , Guang Zeng , Ronghua Li , Guoren Wang

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…

机器学习 · 计算机科学 2025-04-03 Chu Zhao , Enneng Yang , Yuliang Liang , Pengxiang Lan , Yuting Liu , Jianzhe Zhao , Guibing Guo , Xingwei Wang

Learning on graphs, where instance nodes are inter-connected, has become one of the central problems for deep learning, as relational structures are pervasive and induce data inter-dependence which hinders trivial adaptation of existing…

机器学习 · 计算机科学 2023-03-10 Qitian Wu , Yiting Chen , Chenxiao Yang , Junchi Yan

Deep learning on graphs has shown remarkable success across numerous applications, including social networks, bio-physics, traffic networks, and recommendation systems. Regardless of their successes, current methods frequently depend on the…

机器学习 · 计算机科学 2025-09-25 Itay Niv , Neta Rabin

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

机器学习 · 计算机科学 2023-10-27 Hyungeun Lee , Kijung Yoon

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…

机器学习 · 计算机科学 2023-08-17 Bin Lu , Xiaoying Gan , Ze Zhao , Shiyu Liang , Luoyi Fu , Xinbing Wang , Chenghu Zhou

Out-of-distribution (OOD) generalization on graphs aims at dealing with scenarios where the test graph distribution differs from the training graph distributions. Compared to i.i.d. data like images, the OOD generalization problem on…

机器学习 · 计算机科学 2025-02-13 Song Wang , Zhen Tan , Yaochen Zhu , Chuxu Zhang , Jundong Li

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

机器学习 · 计算机科学 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

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

机器学习 · 计算机科学 2024-02-20 Shuhan Liu , Kaize Ding

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

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

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

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

机器学习 · 计算机科学 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

Despite extensive research efforts focused on OOD detection on images, OOD detection on nodes in graph learning remains underexplored. The dependence among graph nodes hinders the trivial adaptation of existing approaches on images that…

机器学习 · 计算机科学 2025-03-18 Yuhan Chen , Yihong Luo , Yifan Song , Pengwen Dai , Jing Tang , Xiaochun Cao

Graph neural networks are widely used for node classification, but they remain vulnerable to out-of-distribution (OOD) shifts in node features and graph structure. Prior work established that methods trained with standard supervised…

机器学习 · 计算机科学 2026-05-15 Danny Wang , Ruihong Qiu , Zi Huang

Despite graph neural networks' (GNNs) great success in modelling graph-structured data, out-of-distribution (OOD) test instances still pose a great challenge for current GNNs. One of the most effective techniques to detect OOD nodes is to…

机器学习 · 计算机科学 2025-04-11 Danny Wang , Ruihong Qiu , Guangdong Bai , Zi Huang