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A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of…

Machine Learning · Computer Science 2026-04-22 Simon Zhang , Ryan P. DeMilt , Kun Jin , Cathy H. Xia

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

Graph anomaly detection (GAD) is a challenging binary classification problem due to its different structural distribution between anomalies and normal nodes -- abnormal nodes are a minority, therefore holding high heterophily and low…

Machine Learning · Computer Science 2024-01-26 Yuan Gao , Xiang Wang , Xiangnan He , Zhenguang Liu , Huamin Feng , Yongdong Zhang

Real-world data deviating from the independent and identically distributed (i.i.d.) assumption of in-distribution training data poses security threats to deep networks, thus advancing out-of-distribution (OOD) detection algorithms.…

Computation and Language · Computer Science 2024-10-31 Yiming Wang , Pei Zhang , Baosong Yang , Derek F. Wong , Zhuosheng Zhang , Rui Wang

The application of machine learning in safety-critical systems requires a reliable assessment of uncertainty. However, deep neural networks are known to produce highly overconfident predictions on out-of-distribution (OOD) data. Even if…

Machine Learning · Computer Science 2022-10-19 Alexander Meinke , Julian Bitterwolf , Matthias Hein

Changing the transmission system topology is an efficient and costless lever to reduce congestion or increase exchange capacities. The problem of finding the optimal switch states within substations is called Optimal Substation…

Systems and Control · Electrical Eng. & Systems 2026-04-02 Antoine Martinez , Balthazar Donon , Louis Wehenkel , Efthymios Karangelos

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage…

Machine Learning · Computer Science 2025-10-17 Yue Hou , He Zhu , Ruomei Liu , Yingke Su , Junran Wu , Ke Xu

Modern machine learning techniques are successfully being adapted to data modeled as graphs. However, many real-world graphs are typically very large and do not fit in memory, often making the problem of training machine learning models on…

Machine Learning · Computer Science 2020-12-10 Alexandra Angerd , Keshav Balasubramanian , Murali Annavaram

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable…

Machine Learning · Computer Science 2023-12-13 Xinyi Gao , Wentao Zhang , Junliang Yu , Yingxia Shao , Quoc Viet Hung Nguyen , Bin Cui , Hongzhi Yin

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Out-of-distribution (OOD) detection in graphs is critical for ensuring model robustness in open-world and safety-sensitive applications. Existing graph OOD detection approaches typically train an in-distribution (ID) classifier on ID data…

Machine Learning · Computer Science 2025-05-20 Haoyan Xu , Zhengtao Yao , Ziyi Wang , Zhan Cheng , Xiyang Hu , Mengyuan Li , Yue Zhao

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error…

Machine Learning · Computer Science 2023-07-20 Ashwin De Silva , Rahul Ramesh , Carey E. Priebe , Pratik Chaudhari , Joshua T. Vogelstein

We address the key challenge of size-induced distribution shifts in graph neural networks (GNNs) and their impact on the generalization of GNNs to larger graphs. Existing literature operates under diverse assumptions about distribution…

Machine Learning · Computer Science 2025-08-04 Gaotang Li , Danai Koutra , Yujun Yan

Graph Neural Networks (GNNs) have demonstrated remarkable success across diverse tasks. However, their generalization capability is often hindered by spurious correlations between node features and labels in the graph. Our analysis reveals…

Machine Learning · Computer Science 2026-03-10 Yuxiang Zhang , Enyan Dai

Out-of-distribution (OOD) detection is critical for ensuring the safety and reliability of machine learning systems, particularly in dynamic and open-world environments. In the vision and text domains, zero-shot OOD detection - which…

Machine Learning · Computer Science 2025-05-20 Haoyan Xu , Zhengtao Yao , Xuzhi Zhang , Ziyi Wang , Langzhou He , Yushun Dong , Philip S. Yu , Mengyuan Li , Yue Zhao

Deep generative models (DGMs) seem a natural fit for detecting out-of-distribution (OOD) inputs, but such models have been shown to assign higher probabilities or densities to OOD images than images from the training distribution. In this…

Machine Learning · Computer Science 2021-07-20 Lily H. Zhang , Mark Goldstein , Rajesh Ranganath

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) have achieved impressive results in graph classification tasks, but they struggle to generalize effectively when faced with out-of-distribution (OOD) data. Several approaches have been proposed to address this…

Machine Learning · Computer Science 2024-03-12 Linan Yue , Qi Liu , Ye Liu , Weibo Gao , Fangzhou Yao , Wenfeng Li

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

Machine Learning · Computer Science 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang
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