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Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

When engaging in end-to-end graph representation learning with Graph Neural Networks (GNNs), the intricate causal relationships and rules inherent in graph data pose a formidable challenge for the model in accurately capturing authentic…

Machine Learning · Computer Science 2024-06-14 Hang Gao , Peng Qiao , Yifan Jin , Fengge Wu , Jiangmeng Li , Changwen Zheng

Training graph classifiers able to distinguish between healthy brains and dysfunctional ones, can help identifying substructures associated to specific cognitive phenotypes. However, the mere predictive power of the graph classifier is of…

Social and Information Networks · Computer Science 2021-06-21 Carlo Abrate , Francesco Bonchi

Graph-structured data is ubiquitous in today's connected world, driving extensive research in graph analysis. Graph Neural Networks (GNNs) have shown great success in this field, leading to growing interest in developing fair GNNs for…

Machine Learning · Computer Science 2024-12-16 Xuemin Wang , Tianlong Gu , Xuguang Bao , Liang Chang

As one of the most popular machine learning models today, graph neural networks (GNNs) have attracted intense interest recently, and so does their explainability. Users are increasingly interested in a better understanding of GNN models and…

Machine Learning · Computer Science 2024-05-24 Kenza Amara , Rex Ying , Zitao Zhang , Zhihao Han , Yinan Shan , Ulrik Brandes , Sebastian Schemm , Ce Zhang

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Graph Neural Networks (GNNs) have been widely used for various types of graph data processing and analytical tasks in different domains. Training GNNs over centralized graph data can be infeasible due to privacy concerns and regulatory…

Machine Learning · Computer Science 2024-05-15 Nan Cui , Xiuling Wang , Wendy Hui Wang , Violet Chen , Yue Ning

Graph Neural Networks (GNNs) achieve significant performance for various learning tasks on geometric data due to the incorporation of graph structure into the learning of node representations, which renders their comprehension challenging.…

Machine Learning · Computer Science 2021-07-14 Alexandre Duval , Fragkiskos D. Malliaros

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

Machine Learning · Computer Science 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

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

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Enhancing the interpretability of graph neural networks (GNNs) is crucial to ensure their safe and fair deployment. Recent work has introduced self-explainable GNNs that generate explanations as part of training, improving both faithfulness…

Machine Learning · Computer Science 2025-08-18 Fanzhen Liu , Xiaoxiao Ma , Jian Yang , Alsharif Abuadbba , Kristen Moore , Surya Nepal , Cecile Paris , Quan Z. Sheng , Jia Wu

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

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

Optimization layers in deep neural networks have enjoyed a growing popularity in structured learning, improving the state of the art on a variety of applications. Yet, these pipelines lack interpretability since they are made of two opaque…

Machine Learning · Computer Science 2024-06-04 Germain Vivier-Ardisson , Alexandre Forel , Axel Parmentier , Thibaut Vidal

Graph Neural Networks (GNNs) have become the leading approach for addressing graph analytical problems in various real-world scenarios. However, GNNs may produce biased predictions against certain demographic subgroups due to node…

Machine Learning · Computer Science 2025-07-16 Yonas Sium , Qi Li

Graph Neural Networks (GNNs) have achieved state-of-the-art performance for link prediction. However, GNNs suffer from poor interpretability, which limits their adoptions in critical scenarios that require knowing why certain links are…

Machine Learning · Computer Science 2023-05-23 Huaisheng Zhu , Dongsheng Luo , Xianfeng Tang , Junjie Xu , Hui Liu , Suhang Wang

The explainability of deep networks is becoming a central issue in the deep learning community. It is the same for learning on graphs, a data structure present in many real world problems. In this paper, we propose a method that is more…

Machine Learning · Computer Science 2022-07-27 Adrien Raison , Pascal Bourdon , David Helbert

Counterfactual explanations are viewed as an effective way to explain machine learning predictions. This interest is reflected by a relatively young literature with already dozens of algorithms aiming to generate such explanations. These…

Machine Learning · Computer Science 2022-12-05 Raphael Mazzine , David Martens

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Machine Learning · Computer Science 2020-02-18 Keyulu Xu , Jingling Li , Mozhi Zhang , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka