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Graph Neural Networks (GNNs) are a popular approach for predicting graph structured data. As GNNs tightly entangle the input graph into the neural network structure, common explainable AI approaches are not applicable. To a large extent,…

Shapley values are widely recognized as a principled method for attributing importance to input features in machine learning. However, the exact computation of Shapley values scales exponentially with the number of features, severely…

Machine Learning · Computer Science 2025-08-21 Majid Mohammadi , Krikamol Muandet , Ilaria Tiddi , Annette Ten Teije , Siu Lun Chau

Albeit the ubiquitous use of Graph Neural Networks (GNNs) in machine learning (ML) prediction tasks involving graph-structured data, their interpretability remains challenging. In explainable artificial intelligence (XAI), the Shapley Value…

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

Machine Learning · Computer Science 2025-11-04 Mikel Casals , Vasilis Belis , Elias F. Combarro , Eduard Alarcón , Sofia Vallecorsa , Michele Grossi

The ability to compute similarity scores between graphs based on metrics such as Graph Edit Distance (GED) is important in many real-world applications. Computing exact GED values is typically an NP-hard problem and traditional algorithms…

Machine Learning · Computer Science 2022-08-18 Haoyan Xu , Runjian Chen , Yueyang Wang , Ziheng Duan , Jie Feng

Shapley additive explanations (SHAP) are widely recognised as computationally intractable for neural networks, since they induce an exponential search space over the input features. In this work, we take a first step towards scaling exact…

Machine Learning · Computer Science 2026-05-26 David Boetius , Shahaf Bassan , Guy Katz , Stefan Leue , Tobias Sutter

Large Language Models (LLMs) often struggle with tasks requiring external knowledge, such as knowledge-intensive Multiple Choice Question Answering (MCQA). Integrating Knowledge Graphs (KGs) can enhance reasoning; however, existing methods…

Computation and Language · Computer Science 2025-04-01 Haochen Liu , Song Wang , Chen Chen , Jundong Li

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

Disordered Systems and Neural Networks · Physics 2026-02-23 O. Duranthon , L. Zdeborová

We propose a novel QTGNN framework for detecting fraudulent transactions in large-scale financial networks. By integrating quantum embedding, variational graph convolutions, and topological data analysis, QTGNN captures complex transaction…

Machine Learning · Computer Science 2025-12-04 Mohammad Doost , Mohammad Manthouri

Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or…

Machine Learning · Computer Science 2021-10-28 Mucong Ding , Kezhi Kong , Jingling Li , Chen Zhu , John P Dickerson , Furong Huang , Tom Goldstein

The advent of Graph Neural Networks (GNNs) has revolutionized the field of machine learning, offering a novel paradigm for learning on graph-structured data. Unlike traditional neural networks, GNNs are capable of capturing complex…

Hardware Architecture · Computer Science 2024-06-26 Kaustubh Shivdikar

The growing variety of quantum hardware technologies, each with unique peculiarities such as connectivity and native gate sets, creates challenges when selecting the best platform for executing a specific quantum circuit. This selection…

Quantum Physics · Physics 2026-01-29 Antonio Tudisco , Deborah Volpe , Giacomo Orlandi , Giovanna Turvani

SHAP (SHapley Additive exPlanation) values provide a game theoretic interpretation of the predictions of machine learning models based on Shapley values. While exact calculation of SHAP values is computationally intractable in general, a…

Machine Learning · Computer Science 2022-02-04 Rory Mitchell , Eibe Frank , Geoffrey Holmes

Computing the Banzhaf value in network flow games is fundamental for quantifying agent influence in multi-agent systems, with applications ranging from cybersecurity to infrastructure planning. However, exact computation is intractable for…

Machine Learning · Computer Science 2025-10-21 Benjamin Kempinski , Tal Kachman

This paper investigates the integration of graph neural networks (GNNs) with Qualitative Explainable Graphs (QXGs) for scene understanding in automated driving. Scene understanding is the basis for any further reactive or proactive…

Robotics · Computer Science 2025-04-18 Nassim Belmecheri , Arnaud Gotlieb , Nadjib Lazaar , Helge Spieker

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Machine Learning · Computer Science 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data. In addition to real-valued GNNs, quaternion GNNs also perform well on tasks on graph-structured data. With the aim of…

Machine Learning · Computer Science 2025-03-03 Rucha Bhalchandra Joshi , Sagar Prakash Barad , Nidhi Tiwari , Subhankar Mishra

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

As modern complex neural networks keep breaking records and solving harder problems, their predictions also become less and less intelligible. The current lack of interpretability often undermines the deployment of accurate machine learning…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Jacopo Teneggi , Alexandre Luster , Jeremias Sulam

We investigate the explainability of graph neural networks (GNNs) as a step toward elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent…

Machine Learning · Computer Science 2024-01-02 Shurui Gui , Hao Yuan , Jie Wang , Qicheng Lao , Kang Li , Shuiwang Ji