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The expressivity of Graph Neural Networks (GNNs) can be described via appropriate fragments of the first order logic. Any query of the two variable fragment of graded modal logic (GC2) interpreted over labeled graphs can be expressed using…

Machine Learning · Computer Science 2024-08-14 Sammy Khalife

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based…

Machine Learning · Computer Science 2025-07-21 Jon Vadillo , Roberto Santana , Jose A. Lozano , Marta Kwiatkowska

While graph neural networks (GNNs) have achieved great success in learning from graph-structured data, their reliance on local, pairwise message passing restricts their ability to capture complex, high-order subgraph patterns. leading to…

Machine Learning · Computer Science 2025-09-12 Junda Ye , Zhongbao Zhang , Li Sun , Siqiang Luo

Graph super-resolution, the task of inferring high-resolution (HR) graphs from low-resolution (LR) counterparts, is an underexplored yet crucial research direction that circumvents the need for costly data acquisition. This makes it…

Machine Learning · Computer Science 2025-11-13 Pragya Singh , Islem Rekik

We study and compare different Graph Neural Network extensions that increase the expressive power of GNNs beyond the Weisfeiler-Leman test. We focus on (i) GNNs based on higher order WL methods, (ii) GNNs that preprocess small substructures…

Machine Learning · Computer Science 2022-02-01 Pál András Papp , Roger Wattenhofer

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. To open the black-box of these deep learning models, post-hoc instance-level explanation methods have been proposed to…

Machine Learning · Computer Science 2024-02-08 Rundong Huang , Farhad Shirani , Dongsheng Luo

Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

Graph neural networks (GNNs) find applications in various domains such as computational biology, natural language processing, and computer security. Owing to their popularity, there is an increasing need to explain GNN predictions since…

Machine Learning · Computer Science 2022-11-14 Mert Kosan , Zexi Huang , Sourav Medya , Sayan Ranu , Ambuj Singh

Output reachability and adversarial robustness are among the most relevant safety properties of neural networks. We show that in the context of Message Passing Neural Networks (MPNN), a common Graph Neural Network (GNN) model, formal…

Machine Learning · Computer Science 2022-10-05 Marco Sälzer , Martin Lange

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

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its…

Machine Learning · Computer Science 2024-02-26 Xiaoqi Wang , Han-Wei Shen

Graph Neural Networks (GNNs) have demonstrated remarkable performance in a wide range of tasks, such as node classification, link prediction, and graph classification, by exploiting the structural information in graph-structured data.…

Machine Learning · Computer Science 2026-01-09 Oscar Llorente , Jaime Boal , Eugenio F. Sánchez-Úbeda , Antonio Diaz-Cano , Miguel Familiar

Interpretable brain network models for disease prediction are of great value for the advancement of neuroscience. GNNs are promising to model complicated network data, but they are prone to overfitting and suffer from poor interpretability,…

Machine Learning · Computer Science 2021-07-13 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Graph Neural Networks (GNNs) have emerged as the predominant method for analyzing graph-structured data. However, canonical GNNs have limited expressive power and generalization capability, thus triggering the development of more expressive…

Machine Learning · Computer Science 2024-08-07 Danial Saber , Amirali Salehi-Abari

Recent research on graph neural network (GNN) models successfully applied GNNs to classical graph algorithms and combinatorial optimisation problems. This has numerous benefits, such as allowing applications of algorithms when preconditions…

Machine Learning · Computer Science 2021-07-16 Dobrik Georgiev , Pietro Barbiero , Dmitry Kazhdan , Petar Veličković , Pietro Liò

As artificial intelligence increasingly drives critical decisions, the ability to genuinely explain how neural networks make predictions is essential for trust. Yet, most current explanation methods offer post-hoc rationalizations rather…

Machine Learning · Computer Science 2026-05-08 Corentin Lobet , Francesca Chiaromonte

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data, demonstrating remarkable performance across various tasks. Recognising their importance, there has been extensive research…

Machine Learning · Computer Science 2025-01-06 Akshit Sinha , Sreeram Vennam , Charu Sharma , Ponnurangam Kumaraguru

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and…

Machine Learning · Computer Science 2025-04-09 Mateusz Cedro , David Martens