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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

Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on…

Machine Learning · Computer Science 2024-03-22 Beatrice Bevilacqua , Moshe Eliasof , Eli Meirom , Bruno Ribeiro , Haggai Maron

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Inference queries have been routinely issued to graph machine learning models such as graph neural networks (GNNs) for various network analytical tasks. Nevertheless, GNN outputs are often hard to interpret comprehensively. Existing methods…

Machine Learning · Computer Science 2025-11-25 Dazhuo Qiu , Haolai Che , Arijit Khan , Yinghui Wu

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Neural networks (NNs) are pervasive across various domains but often lack interpretability. To address the growing need for explanations, logic-based approaches have been proposed to explain predictions made by NNs, offering correctness…

Logic in Computer Science · Computer Science 2026-02-26 Luiz Fernando Paulino Queiroz , Carlos Henrique Leitão Cavalcante , Thiago Alves Rocha

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

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph Neural Networks (GNNs) have achieved promising results in tasks such as node classification and graph classification. However, recent studies reveal that GNNs are vulnerable to backdoor attacks, posing a significant threat to their…

Machine Learning · Computer Science 2025-03-13 Zhiwei Zhang , Minhua Lin , Junjie Xu , Zongyu Wu , Enyan Dai , Suhang Wang

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

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

Biomolecules · Quantitative Biology 2023-09-25 Yang Wang , Zanyu Shi , Timothy Richardson , Kun Huang , Pathum Weerawarna , Yijie Wang

The last decades have seen a growth in the number of cyber-attacks with severe economic and privacy damages, which reveals the need for network intrusion detection approaches to assist in preventing cyber-attacks and reducing their risks.…

Cryptography and Security · Computer Science 2023-10-11 Hamdi Friji , Alexis Olivereau , Mireille Sarkiss

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

Machine Learning · Computer Science 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

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) 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

The problem of interpreting the decisions of machine learning is a well-researched and important. We are interested in a specific type of machine learning model that deals with graph data called graph neural networks. Evaluating…

Machine Learning · Computer Science 2022-06-29 Mandeep Rathee , Thorben Funke , Avishek Anand , Megha Khosla

Graph Neural Networks (GNNs) have become indispensable tools for learning from graph structured data, catering to various applications such as social network analysis and fraud detection for financial services. At the heart of these…

Cryptography and Security · Computer Science 2025-06-02 Zeyu Song , Ehsanul Kabir , Shagufta Mehnaz