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Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to…

Machine Learning · Computer Science 2023-11-13 Jialin Chen , Kenza Amara , Junchi Yu , Rex Ying

Graph neural networks (GNNs) are proven effective in extracting complex node and structural information from graph data. While current GNNs perform well in node classification tasks within in-distribution (ID) settings, real-world scenarios…

Machine Learning · Computer Science 2025-05-08 Tao Yin , Chen Zhao , Xiaoyan Liu , Minglai Shao

In this work, we aim to classify nodes of unstructured peer-to-peer networks with communication uncertainty, such as users of decentralized social networks. Graph Neural Networks (GNNs) are known to improve the accuracy of simple…

Machine Learning · Computer Science 2022-03-17 Emmanouil Krasanakis , Symeon Papadopoulos , Ioannis Kompatsiaris

Understanding and explaining the predictions of Graph Neural Networks (GNNs), is crucial for enhancing their safety and trustworthiness. Subgraph-level explanations are gaining attention for their intuitive appeal. However, most existing…

Machine Learning · Computer Science 2024-05-17 Shengyao Lu , Bang Liu , Keith G. Mills , Jiao He , Di Niu

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training…

Machine Learning · Computer Science 2023-08-17 Bin Lu , Xiaoying Gan , Ze Zhao , Shiyu Liang , Luoyi Fu , Xinbing Wang , Chenghu Zhou

Graph neural networks have demonstrated remarkable success in predicting molecular properties by leveraging the rich structural information encoded in molecular graphs. However, their black-box nature reduces interpretability, which limits…

Machine Learning · Computer Science 2025-08-22 Sebastian Musiał , Bartosz Zieliński , Tomasz Danel

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

Machine Learning · Computer Science 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen

As Graph Neural Networks (GNNs) are widely adopted in digital pathology, there is increasing attention to developing explanation models (explainers) of GNNs for improved transparency in clinical decisions. Existing explainers discover an…

Machine Learning · Computer Science 2021-12-21 Junchi Yu , Tingyang Xu , Ran He

Explaining node predictions in graph neural networks (GNNs) often boils down to finding graph substructures that preserve predictions. Finding these structures usually implies back-propagating through the GNN, bonding the complexity (e.g.,…

Machine Learning · Computer Science 2024-03-11 Tamara Pereira , Erik Nascimento , Lucas E. Resck , Diego Mesquita , Amauri Souza

Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where…

Machine Learning · Computer Science 2023-08-15 Yu Song , Donglin Wang

Graph Neural Networks (GNNs) have shown remarkable effectiveness in capturing abundant information in graph-structured data. However, the black-box nature of GNNs hinders users from understanding and trusting the models, thus leading to…

Machine Learning · Computer Science 2022-07-25 Jiaxuan Xie , Yezi Liu , Yanning Shen

In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…

Machine Learning · Computer Science 2023-10-24 Efimia Panagiotaki , Daniele De Martini , Lars Kunze

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

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Despite Graph Neural Networks (GNNs) have achieved prominent success in many graph-based learning problem, such as credit risk assessment in financial networks and fake news detection in social networks. However, the trained GNNs still make…

Machine Learning · Computer Science 2023-05-26 Zirui Liu , Zhimeng Jiang , Shaochen Zhong , Kaixiong Zhou , Li Li , Rui Chen , Soo-Hyun Choi , Xia Hu

Graph data is becoming increasingly prevalent due to the growing demand for relational insights in AI across various domains. Organizations regularly use graph data to solve complex problems involving relationships and connections. Causal…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong , Xin Wang

This paper studies faithful explanations for Graph Neural Networks (GNNs). First, we provide a new and general method for formally characterizing the faithfulness of explanations for GNNs. It applies to existing explanation methods,…

Machine Learning · Computer Science 2022-05-25 Zifan Wang , Yuhang Yao , Chaoran Zhang , Han Zhang , Youjie Kang , Carlee Joe-Wong , Matt Fredrikson , Anupam Datta

Dynamic graph neural networks (DGNNs) are increasingly pervasive in exploiting spatio-temporal patterns on dynamic graphs. However, existing works fail to generalize under distribution shifts, which are common in real-world scenarios. As…

Machine Learning · Computer Science 2023-11-21 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Ziwei Zhang , Cheng Ji , Hao Peng , Jianxin Li

Deep Graph Neural Networks (GNNs) are essential for capturing complex dependencies in graph-structured data. However, scaling GNNs to depth remains challenging, as stacking layers leads to representation collapse and diminishing sensitivity…

Machine Learning · Computer Science 2026-05-26 Rémi Bourgerie , Šarūnas Girdzijauskas , Viktoria Fodor

Graph Neural Networks (GNNs), which aggregate features from neighbors, are widely used for graph-structured data processing due to their powerful representation learning capabilities. It is generally believed that GNNs can implicitly remove…

Machine Learning · Computer Science 2022-09-30 Songtao Liu , Rex Ying , Hanze Dong , Lu Lin , Jinghui Chen , Dinghao Wu
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