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Related papers: Graph Out-of-Distribution Generalization with Cont…

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Out-of-distribution (OOD) generalization is an important issue for Graph Neural Networks (GNNs). Recent works employ different graph editions to generate augmented environments and learn an invariant GNN for generalization. However, the…

Machine Learning · Computer Science 2023-03-28 Junchi Yu , Jian Liang , Ran He

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

Given the critical role of graphs in real-world applications and their high-security requirements, improving the ability of graph neural networks (GNNs) to detect out-of-distribution (OOD) data is an urgent research problem. The recent work…

Machine Learning · Computer Science 2025-04-21 Shenzhi Yang , Bin Liang , An Liu , Lin Gui , Xingkai Yao , Xiaofang Zhang

Deep learning has been demonstrated with tremendous success in recent years. Despite so, its performance in practice often degenerates drastically when encountering out-of-distribution (OoD) data, i.e. training and test data are sampled…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Haoyue Bai

Out-of-distribution (OoD) detection is a natural downstream task for deep generative models, due to their ability to learn the input probability distribution. There are mainly two classes of approaches for OoD detection using deep…

Machine Learning · Computer Science 2019-07-11 Yujia Huang , Sihui Dai , Tan Nguyen , Richard G. Baraniuk , Anima Anandkumar

Predicting the outcome of antiretroviral therapies (ART) for HIV-1 is a pressing clinical challenge, especially when the ART includes drugs with limited effectiveness data. This scarcity of data can arise either due to the introduction of a…

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

Machine Learning · Computer Science 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen

Thanks to graph neural networks (GNNs), semi-supervised node classification has shown the state-of-the-art performance in graph data. However, GNNs have not considered different types of uncertainties associated with class probabilities to…

Machine Learning · Computer Science 2020-11-26 Xujiang Zhao , Feng Chen , Shu Hu , Jin-Hee Cho

Out-of-distribution (OOD) detection is important for deploying machine learning models in the real world, where test data from shifted distributions can naturally arise. While a plethora of algorithmic approaches have recently emerged for…

Machine Learning · Computer Science 2021-12-03 Peyman Morteza , Yixuan Li

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of…

Machine Learning · Computer Science 2022-09-28 Shurui Gui , Xiner Li , Limei Wang , Shuiwang Ji

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…

Machine Learning · Computer Science 2025-11-25 Yue Hou , Ruomei Liu , Yingke Su , Junran Wu , Ke Xu

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…

Machine Learning · Computer Science 2022-06-23 Gleb Bazhenov , Sergei Ivanov , Maxim Panov , Alexey Zaytsev , Evgeny Burnaev

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

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…

Computer Vision and Pattern Recognition · Computer Science 2020-04-02 Yen-Chang Hsu , Yilin Shen , Hongxia Jin , Zsolt Kira

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

Out-of-distribution (OOD) detection and OOD generalization are widely studied in Deep Neural Networks (DNNs), yet their relationship remains poorly understood. We empirically show that the degree of Neural Collapse (NC) in a network layer…

Machine Learning · Computer Science 2025-09-23 Md Yousuf Harun , Jhair Gallardo , Christopher Kanan

There has been a recent surge of interest in designing Graph Neural Networks (GNNs) for semi-supervised learning tasks. Unfortunately this work has assumed that the nodes labeled for use in training were selected uniformly at random (i.e.…

Machine Learning · Computer Science 2021-10-28 Qi Zhu , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

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.…

Machine Learning · Computer Science 2023-03-21 Sadegh Mahdavi , Kevin Swersky , Thomas Kipf , Milad Hashemi , Christos Thrampoulidis , Renjie Liao

In neuroscience, identifying distinct patterns linked to neurological disorders, such as Alzheimer's and Autism, is critical for early diagnosis and effective intervention. Graph Neural Networks (GNNs) have shown promising in analyzing…

Machine Learning · Computer Science 2025-02-05 Jiaxing Xu , Yongqiang Chen , Xia Dong , Mengcheng Lan , Tiancheng Huang , Qingtian Bian , James Cheng , Yiping Ke

Deep learning has achieved tremendous success with independent and identically distributed (i.i.d.) data. However, the performance of neural networks often degenerates drastically when encountering out-of-distribution (OoD) data, i.e., when…

Machine Learning · Computer Science 2022-04-01 Nanyang Ye , Kaican Li , Haoyue Bai , Runpeng Yu , Lanqing Hong , Fengwei Zhou , Zhenguo Li , Jun Zhu