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Graph Neural Networks (GNNs) have achieved remarkable performance in a wide range of graph-related learning tasks. However, explaining their predictions remains a challenging problem, especially due to the mismatch between the graphs used…

Machine Learning · Computer Science 2025-08-05 Zhuomin Chen , Jingchao Ni , Hojat Allah Salehi , Xu Zheng , Dongsheng Luo

Graph Neural Networks have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult, especially under distributional shifts. Unlike traditional uncertainty…

Machine Learning · Computer Science 2025-10-15 Fred Xu , Thomas Markovich

Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

Machine Learning · Computer Science 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Due to the performance degradation of graph neural networks (GNNs) under distribution shifts, the work on out-of-distribution (OOD) generalization on graphs has received widespread attention. A novel perspective involves distinguishing…

Machine Learning · Computer Science 2024-06-04 Haoran Yang , Xiaobing Pei , Kai Yuan

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

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…

Machine Learning · Computer Science 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

Out-of-distribution (OOD) generalization in Graph Neural Networks (GNNs) has gained significant attention due to its critical importance in graph-based predictions in real-world scenarios. Existing methods primarily focus on extracting a…

Machine Learning · Computer Science 2025-04-21 Bowen Liu , Haoyang Li , Shuning Wang , Shuo Nie , Shanghang Zhang

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

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the…

Machine Learning · Computer Science 2021-06-02 Hao Yuan , Haiyang Yu , Jie Wang , Kang Li , Shuiwang Ji

This study analyzes Graph Neural Networks (GNNs) for distribution system state estimation (DSSE) by employing an interpretable Graph Neural Additive Network (GNAN) and by utilizing an edge-conditioned message-passing mechanism. The…

Systems and Control · Electrical Eng. & Systems 2026-03-25 Arbel Yaniv , Kilian Golinski , Christoph Goebel

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Graph neural network (GNN) explainers identify the important subgraph that ensures the prediction for a given graph. Until now, almost all GNN explainers are based on association, which is prone to spurious correlations. We propose {\name},…

Machine Learning · Computer Science 2024-07-15 Arman Behnam , Binghui Wang

Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…

Machine Learning · Computer Science 2025-06-04 Bin Ma , Yuyuan Feng , Minhua Lin , Enyan Dai

Out-of-distribution (OOD) detection poses a significant challenge for Graph Neural Networks (GNNs), particularly in open-world scenarios with varying distribution shifts. Most existing OOD detection methods on graphs primarily focus on…

Machine Learning · Computer Science 2024-10-24 Zhixia He , Chen Zhao , Minglai Shao , Yujie Lin , Dong Li , Qin Tian

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

Machine Learning · Computer Science 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a…

Machine Learning · Computer Science 2025-07-17 Jay Revolinsky , Harry Shomer , Jiliang Tang

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

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin