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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…

Machine Learning · Computer Science 2023-10-03 Zhilin Zhao , Longbing Cao , Kun-Yu Lin

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

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…

Machine Learning · Computer Science 2023-12-05 Sergey Kolesnikov

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Existing methods for graph out-of-distribution (OOD) detection typically depend on training graph neural network (GNN) classifiers using a substantial amount of labeled in-distribution (ID) data. However, acquiring high-quality labeled…

Machine Learning · Computer Science 2025-03-31 Haoyan Xu , Zhengtao Yao , Yushun Dong , Ziyi Wang , Ryan A. Rossi , Mengyuan Li , Yue Zhao

Graph contrastive learning (GCL), standing as the dominant paradigm in the realm of graph pre-training, has yielded considerable progress. Nonetheless, its capacity for out-of-distribution (OOD) generalization has been relatively…

Machine Learning · Computer Science 2024-05-28 Zixu Wang , Bingbing Xu , Yige Yuan , Huawei Shen , Xueqi Cheng

Detecting out-of-distribution (OOD) samples is essential for ensuring the reliability of deep neural networks (DNNs) in real-world scenarios. While previous research has predominantly investigated the disparity between in-distribution (ID)…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Yingwen Wu , Tao Li , Xinwen Cheng , Jie Yang , Xiaolin Huang

The necessary integration of renewable energy sources, combined with the expanding scale of power networks, presents significant challenges in controlling modern power grids. Traditional control systems, which are human and…

Machine Learning · Computer Science 2025-09-04 Carlo Fabrizio , Gianvito Losapio , Marco Mussi , Alberto Maria Metelli , Marcello Restelli

In this paper, we consider the distributed optimal control problem for discrete-time linear networked systems. In particular, we are interested in learning distributed optimal controllers using graph recurrent neural networks (GRNNs). Most…

Systems and Control · Electrical Eng. & Systems 2025-07-23 Zihao Song , Shirantha Welikala , Panos J. Antsaklis , Hai Lin

Probabilistic graphical models provide a powerful tool to describe complex statistical structure, with many real-world applications in science and engineering from controlling robotic arms to understanding neuronal computations. A major…

Artificial Intelligence · Computer Science 2023-05-04 Yicheng Fei , Xaq Pitkow

Out-Of-Distribution (OOD) detection has received broad attention over the years, aiming to ensure the reliability and safety of deep neural networks (DNNs) in real-world scenarios by rejecting incorrect predictions. However, we notice a…

Computer Vision and Pattern Recognition · Computer Science 2022-12-01 Yao Zhu , Yuefeng Chen , Xiaodan Li , Rong Zhang , Hui Xue , Xiang Tian , Rongxin Jiang , Bolun Zheng , Yaowu Chen

When presented with Out-of-Distribution (OOD) examples, deep neural networks yield confident, incorrect predictions. Detecting OOD examples is challenging, and the potential risks are high. In this paper, we propose to detect OOD examples…

Machine Learning · Computer Science 2020-01-10 Chandramouli Shama Sastry , Sageev Oore

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Out-of-distribution (OOD) generalization has emerged as a significant challenge in graph recommender systems. Traditional graph neural network algorithms often fail because they learn spurious environmental correlations instead of stable…

Information Retrieval · Computer Science 2025-11-25 Jiahao Liang , Haoran Yang , Xiangyu Zhao , Zhiwen Yu , Mianjie Li , Chuan Shi , Kaixiang Yang

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of…

Machine Learning · Computer Science 2022-03-29 Hyeonjin Park , Seunghun Lee , Sihyeon Kim , Jinyoung Park , Jisu Jeong , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

Graph Neural Networks (GNNs) have achieved remarkable success across various graph-based tasks but remain highly sensitive to distribution shifts. In this work, we focus on a prevalent yet under-explored phenomenon in graph generalization,…

Machine Learning · Computer Science 2026-02-10 Yang Qiu , Yixiong Zou , Jun Wang

The lack of well-calibrated confidence estimates makes neural networks inadequate in safety-critical domains such as autonomous driving or healthcare. In these settings, having the ability to abstain from making a prediction on…

Machine Learning · Computer Science 2022-07-27 Adam Dziedzic , Stephan Rabanser , Mohammad Yaghini , Armin Ale , Murat A. Erdogdu , Nicolas Papernot

Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…

Machine Learning · Computer Science 2024-08-22 Zixiao Wang , Jicong Fan

Deep neural networks are known to achieve superior results in classification tasks. However, it has been recently shown that they are incapable to detect examples that are generated by a distribution which is different than the one they…

Machine Learning · Computer Science 2019-12-09 Aristotelis-Angelos Papadopoulos , Nazim Shaikh , Mohammad Reza Rajati

Graph is a flexible and effective tool to represent complex structures in practice and graph neural networks (GNNs) have been shown to be effective on various graph tasks with randomly separated training and testing data. In real…

Machine Learning · Computer Science 2021-10-11 Shengyu Zhang , Kun Kuang , Jiezhong Qiu , Jin Yu , Zhou Zhao , Hongxia Yang , Zhongfei Zhang , Fei Wu