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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

Interpretable malware detection is crucial for understanding harmful behaviors and building trust in automated security systems. Traditional explainable methods for Graph Neural Networks (GNNs) often highlight important regions within a…

Cryptography and Security · Computer Science 2025-04-30 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A. Ghorbani

Formal verification of neural networks is essential for their deployment in safety-critical areas. Many available formal verification methods have been shown to be instances of a unified Branch and Bound (BaB) formulation. We propose a…

Machine Learning · Computer Science 2019-12-04 Jingyue Lu , M. Pawan Kumar

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 achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

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

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

While there is increasing concern about the interpretability of neural models, the evaluation of interpretability remains an open problem, due to the lack of proper evaluation datasets and metrics. In this paper, we present a novel…

Computation and Language · Computer Science 2022-11-16 Lijie Wang , Yaozong Shen , Shuyuan Peng , Shuai Zhang , Xinyan Xiao , Hao Liu , Hongxuan Tang , Ying Chen , Hua Wu , Haifeng Wang

Explanations on relational data are hard to verify since the explanation structures are more complex (e.g. graphs). To verify interpretable explanations (e.g. explanations of predictions made in images, text, etc.), typically human subjects…

Artificial Intelligence · Computer Science 2024-01-08 Abisha Thapa Magar , Anup Shakya , Somdeb Sarkhel , Deepak Venugopal

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

This study aims to optimize the existing retrieval-augmented generation model (RAG) by introducing a graph structure to improve the performance of the model in dealing with complex knowledge reasoning tasks. The traditional RAG model has…

Information Retrieval · Computer Science 2024-11-07 Yuxin Dong , Shuo Wang , Hongye Zheng , Jiajing Chen , Zhenhong Zhang , Chihang Wang

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node…

Machine Learning · Computer Science 2023-12-27 Zhiyao Zhou , Sheng Zhou , Bochao Mao , Xuanyi Zhou , Jiawei Chen , Qiaoyu Tan , Daochen Zha , Yan Feng , Chun Chen , Can Wang

Explainability in Graph Neural Networks (GNNs) is a new field growing in the last few years. In this publication we address the problem of determining how important is each neighbor for the GNN when classifying a node and how to measure the…

Neural networks are increasingly finding their way into the realm of graphs and modeling relationships between features. Concurrently graph neural network explanation approaches are being invented to uncover relationships between the nodes…

Machine Learning · Computer Science 2024-01-02 Razieh Rezaei , Alireza Dizaji , Ashkan Khakzar , Anees Kazi , Nassir Navab , Daniel Rueckert

In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard…

Machine Learning · Computer Science 2022-04-29 Rylee Thompson , Boris Knyazev , Elahe Ghalebi , Jungtaek Kim , Graham W. Taylor

Graph neural networks (GNNs) excel at predictive tasks on graph-structured data but often lack the ability to incorporate symbolic domain knowledge and perform general reasoning. Relational Bayesian Networks (RBNs), in contrast, enable…

Artificial Intelligence · Computer Science 2025-07-30 Raffaele Pojer , Andrea Passerini , Kim G. Larsen , Manfred Jaeger

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data.…

Machine Learning · Computer Science 2022-09-27 Yaochen Xie , Sumeet Katariya , Xianfeng Tang , Edward Huang , Nikhil Rao , Karthik Subbian , Shuiwang Ji

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

Graph Neural Networks (GNNs) are exemplary deep models designed for graph data. Message passing mechanism enables GNNs to effectively capture graph topology and push the performance boundaries across various graph tasks. However, the trend…

Neural and Evolutionary Computing · Computer Science 2025-09-29 Huizhe Zhang , Jintang Li , Yuchang Zhu , Liang Chen , Li Kuang

In this paper, we benchmark several existing graph neural network (GNN) models on different datasets for link predictions. In particular, the graph convolutional network (GCN), GraphSAGE, graph attention network (GAT) as well as variational…

Machine Learning · Computer Science 2021-02-26 Xing Wang , Alexander Vinel