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Graph neural networks (GNNs) have achieved impressive performance when testing and training graph data come from identical distribution. However, existing GNNs lack out-of-distribution generalization abilities so that their performance…

Machine Learning · Computer Science 2021-12-15 Haoyang Li , Xin Wang , Ziwei Zhang , Wenwu Zhu

Graph neural networks (GNNs) have exhibited remarkable performance under the assumption that test data comes from the same distribution of training data. However, in real-world scenarios, this assumption may not always be valid.…

Machine Learning · Computer Science 2024-02-15 Kai Guo , Hongzhi Wen , Wei Jin , Yaming Guo , Jiliang Tang , Yi Chang

Graph Neural Networks (GNNs) are effective for node classification in graph-structured data, but they lack explainability, especially at the global level. Current research mainly utilizes subgraphs of the input as local explanations or…

Artificial Intelligence · Computer Science 2024-05-22 Dominik Köhler , Stefan Heindorf

Graph Neural Networks (GNNs) are susceptible to distribution shifts, creating vulnerability and security issues in critical domains. There is a pressing need to enhance the generalizability of GNNs on out-of-distribution (OOD) test data.…

Machine Learning · Computer Science 2024-10-29 Xiaoxue Han , Huzefa Rangwala , Yue Ning

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…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

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…

Machine Learning · Computer Science 2023-03-10 Qitian Wu , Yiting Chen , Chenxiao Yang , Junchi Yan

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Explainability is crucial for probing graph neural networks (GNNs), answering questions like "Why the GNN model makes a certain prediction?". Feature attribution is a prevalent technique of highlighting the explanatory subgraph in the input…

Machine Learning · Computer Science 2022-04-28 Xiang Wang , Yingxin Wu , An Zhang , Fuli Feng , Xiangnan He , Tat-Seng Chua

Recent advancements in Graph Neural Networks (GNNs) have spurred an upsurge of research dedicated to enhancing the explainability of GNNs, particularly in critical domains such as medicine. A promising approach is the self-explaining…

Machine Learning · Computer Science 2024-08-15 Jingyu Peng , Qi Liu , Linan Yue , Zaixi Zhang , Kai Zhang , Yunhao Sha

Graph Convolutional Networks (GCNs) are a popular method from graph representation learning that have proved effective for tasks like node classification tasks. Although typical GCN models focus on classifying nodes within a static graph,…

Machine Learning · Computer Science 2021-10-13 Yucai Fan , Yuhang Yao , Carlee Joe-Wong

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Explaining the foundations for predictions obtained from graph neural networks (GNNs) is critical for credible use of GNN models for real-world problems. Owing to the rapid growth of GNN applications, recent progress in explaining…

Machine Learning · Computer Science 2025-01-07 Hyeoncheol Cho , Youngrock Oh , Eunjoo Jeon

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

Explanations provided by Self-explainable Graph Neural Networks (SE-GNNs) are fundamental for understanding the model's inner workings and for identifying potential misuse of sensitive attributes. Although recent works have highlighted that…

Machine Learning · Computer Science 2026-03-03 Steve Azzolin , Stefano Teso , Bruno Lepri , Andrea Passerini , Sagar Malhotra

Graph Neural Networks (GNNs) have been widely deployed in various real-world applications. However, most GNNs are black-box models that lack explanations. One strategy to explain GNNs is through counterfactual explanation, which aims to…

Machine Learning · Computer Science 2024-10-29 Yinhan He , Wendy Zheng , Yaochen Zhu , Jing Ma , Saumitra Mishra , Natraj Raman , Ninghao Liu , Jundong Li

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes…

Machine Learning · Computer Science 2025-07-02 Yujia Yin , Tianyi Qu , Zihao Wang , Yifan Chen

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…

Machine Learning · Computer Science 2026-05-06 Rishi Raj Sahoo , Subhankar Mishra

Many real-world datasets, such as citation networks, social networks, and molecular structures, are naturally represented as heterogeneous graphs, where nodes belong to different types and have additional features. For example, in a…

Machine Learning · Computer Science 2026-02-05 Pallabee Das , Stefan Heindorf