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Interpretable graph neural networks (XGNNs ) are widely adopted in various scientific applications involving graph-structured data. Existing XGNNs predominantly adopt the attention-based mechanism to learn edge or node importance for…

Machine Learning · Computer Science 2024-06-13 Yongqiang Chen , Yatao Bian , Bo Han , James Cheng

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

Machine Learning · Computer Science 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

Humans excel at solving novel reasoning problems from minimal exposure, guided by inductive biases, assumptions about which entities and relationships matter. Yet the computational form of these biases and their neural implementation remain…

Neurons and Cognition · Quantitative Biology 2025-12-22 Quan Do , Caroline Ahn , Leah Bakst , Michael Pascale , Joseph T. McGuire , Chantal E. Stern , Michael E. Hasselmo

We consider generating explanations for neural networks in cases where the network's training data is not accessible, for instance due to privacy or safety issues. Recently, $\mathcal{I}$-Nets have been proposed as a sample-free approach to…

Machine Learning · Computer Science 2024-01-15 Sascha Marton , Stefan Lüdtke , Christian Bartelt , Andrej Tschalzev , Heiner Stuckenschmidt

Given a node-attributed graph, and a graph task (link prediction or node classification), can we tell if a graph neural network (GNN) will perform well? More specifically, do the graph structure and the node features carry enough usable…

Machine Learning · Computer Science 2024-03-21 Meng-Chieh Lee , Haiyang Yu , Jian Zhang , Vassilis N. Ioannidis , Xiang Song , Soji Adeshina , Da Zheng , Christos Faloutsos

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Interpretability methods for deep neural networks mainly focus on the sensitivity of the class score with respect to the original or perturbed input, usually measured using actual or modified gradients. Some methods also use a…

Computer Vision and Pattern Recognition · Computer Science 2022-06-20 Md Mahfuzur Rahman , Noah Lewis , Sergey Plis

In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is…

Machine Learning · Computer Science 2023-11-28 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Lin Li , Jianming Yong , Qing Li

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

Machine Learning · Computer Science 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

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

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

Revealing the transparency of Deep Neural Networks (DNNs) has been widely studied to describe the decision mechanisms of network inner structures. In this paper, we propose a novel post-hoc framework, Unfold and Conquer Attribution Guidance…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Jung-Ho Hong , Woo-Jeoung Nam , Kyu-Sung Jeon , Seong-Whan Lee

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

Artificial Intelligence (AI), and in particular, the explainability thereof, has gained phenomenal attention over the last few years. Whilst we usually do not question the decision-making process of these systems in situations where only…

Artificial Intelligence · Computer Science 2021-01-29 Iena Petronella Derks , Alta de Waal

Effectively combining logic reasoning and probabilistic inference has been a long-standing goal of machine learning: the former has the ability to generalize with small training data, while the latter provides a principled framework for…

Machine Learning · Computer Science 2019-09-24 Yuyu Zhang , Xinshi Chen , Yuan Yang , Arun Ramamurthy , Bo Li , Yuan Qi , Le Song

Neural networks have become increasingly prevalent within the geosciences, although a common limitation of their usage has been a lack of methods to interpret what the networks learn and how they make decisions. As such, neural networks…

Atmospheric and Oceanic Physics · Physics 2020-10-28 Benjamin A. Toms , Elizabeth A. Barnes , Imme Ebert-Uphoff