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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

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Machine Learning · Computer Science 2022-06-27 Yushun Dong , Song Wang , Yu Wang , Tyler Derr , Jundong Li

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain…

Machine Learning · Computer Science 2024-01-29 Shengyao Lu , Keith G. Mills , Jiao He , Bang Liu , Di Niu

Self-explainable deep neural networks are a recent class of models that can output ante-hoc local explanations that are faithful to the model's reasoning, and as such represent a step forward toward filling the gap between expressiveness…

Machine Learning · Computer Science 2023-08-30 Marc Christiansen , Lea Villadsen , Zhiqiang Zhong , Stefano Teso , Davide Mottin

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. However, their predictions are often not interpretable. Post-hoc instance-level explanation methods have been proposed…

Machine Learning · Computer Science 2023-07-18 Jiaxing Zhang , Dongsheng Luo , Hua Wei

Graph Neural Networks (GNNs) achieve outstanding performance across graph-based tasks but remain difficult to interpret. In this paper, we revisit foundational assumptions underlying model-level explanation methods for GNNs, namely: (1)…

Machine Learning · Computer Science 2025-06-10 Hsiao-Ying Lu , Yiran Li , Ujwal Pratap Krishna Kaluvakolanu Thyagarajan , Kwan-Liu Ma

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

Machine Learning · Computer Science 2024-02-08 Jiahua Rao , Jiancong Xie , Hanjing Lin , Shuangjia Zheng , Zhen Wang , Yuedong Yang

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Graph regression is a fundamental task that has gained significant attention in various graph learning tasks. However, the inference process is often not easily interpretable. Current explanation techniques are limited to understanding…

Machine Learning · Computer Science 2024-10-25 Jiaxing Zhang , Zhuomin Chen , Hao Mei , Longchao Da , Dongsheng Luo , Hua Wei

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

Graph Neural Networks (GNNs) excel at learning from structured data, yet fairness in regression tasks remains underexplored. Existing approaches mainly target classification and representation-level debiasing, which cannot fully address the…

Machine Learning · Computer Science 2025-10-24 Soyoung Park , Sungsu Lim

Current graph neural networks (GNNs) that tackle node classification on graphs tend to only focus on nodewise scores and are solely evaluated by nodewise metrics. This limits uncertainty estimation on graphs since nodewise marginals do not…

Machine Learning · Computer Science 2022-10-28 Hans Hao-Hsun Hsu , Yuesong Shen , Daniel Cremers

Graph neural networks (GNNs) are powerful tools for conducting inference on graph data but are often seen as "black boxes" due to difficulty in extracting meaningful subnetworks driving predictive performance. Many interpretable GNN methods…

Machine Learning · Statistics 2024-12-17 Whitney Sloneker , Shalin Patel , Michael Wang , Lorin Crawford , Ritambhara Singh

Deep neural networks are notoriously miscalibrated, i.e., their outputs do not reflect the true probability of the event we aim to predict. While networks for tabular or image data are usually overconfident, recent works have shown that…

Machine Learning · Computer Science 2024-03-11 Erik Nascimento , Diego Mesquita , Samuel Kaski , Amauri H Souza

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

As one of popular quantitative metrics to assess the quality of explanation of graph neural networks (GNNs), fidelity measures the output difference after removing unimportant parts of the input graph. Fidelity has been widely used due to…

Machine Learning · Computer Science 2024-06-18 Yong-Min Shin , Won-Yong Shin

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

As post hoc explanations are increasingly used to understand the behavior of graph neural networks (GNNs), it becomes crucial to evaluate the quality and reliability of GNN explanations. However, assessing the quality of GNN explanations is…

Machine Learning · Computer Science 2023-01-18 Chirag Agarwal , Owen Queen , Himabindu Lakkaraju , Marinka Zitnik

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

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