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A major challenge in Explainable AI is in correctly interpreting activations of hidden neurons: accurate interpretations would help answer the question of what a deep learning system internally detects as relevant in the input, demystifying…

Artificial Intelligence · Computer Science 2026-02-23 Abhilekha Dalal , Rushrukh Rayan , Adrita Barua , Eugene Y. Vasserman , Md Kamruzzaman Sarker , Pascal Hitzler

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2023-09-06 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Graph neural networks (GNNs) are powerful tools for conducting inference on graph data but are often seen as "black boxes" due to difficulty in extracting meaningful subnetworks driving predictive performance. Many interpretable GNN methods…

Machine Learning · Statistics 2024-12-17 Whitney Sloneker , Shalin Patel , Michael Wang , Lorin Crawford , Ritambhara Singh

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to…

Machine Learning · Computer Science 2023-06-01 Alex Foote , Neel Nanda , Esben Kran , Ioannis Konstas , Shay Cohen , Fazl Barez

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

Explainability is needed to establish confidence in machine learning results. Some explainable methods take a post hoc approach to explain the weights of machine learning models, others highlight areas of the input contributing to…

Machine Learning · Computer Science 2024-07-15 Paul Whitten , Francis Wolff , Chris Papachristou

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

To verify and validate networks, it is essential to gain insight into their decisions, limitations as well as possible shortcomings of training data. In this work, we propose a post-hoc, optimization based visual explanation method, which…

Computer Vision and Pattern Recognition · Computer Science 2019-08-08 Jörg Wagner , Jan Mathias Köhler , Tobias Gindele , Leon Hetzel , Jakob Thaddäus Wiedemer , Sven Behnke

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

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

Artificial Intelligence · Computer Science 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

Molecular Networks · Quantitative Biology 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

Despite the increasing relevance of explainable AI, assessing the quality of explanations remains a challenging issue. Due to the high costs associated with human-subject experiments, various proxy metrics are often used to approximately…

Machine Learning · Computer Science 2024-02-20 Jonas Teufel , Luca Torresi , Pascal Friederich

Malware detection in modern computing environments demands models that are not only accurate but also interpretable and robust to evasive techniques. Graph neural networks (GNNs) have shown promise in this domain by modeling rich structural…

Cryptography and Security · Computer Science 2026-05-26 Hossein Shokouhinejad , Roozbeh Razavi-Far , Griffin Higgins , Ali A Ghorbani

Heterogeneous graph neural networks (HGNs) are prominent approaches to node classification tasks on heterogeneous graphs. Despite the superior performance, insights about the predictions made from HGNs are obscure to humans. Existing…

Machine Learning · Computer Science 2023-12-27 Tong Li , Jiale Deng , Yanyan Shen , Luyu Qiu , Yongxiang Huang , Caleb Chen Cao

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

Machine Learning · Computer Science 2023-06-09 Samidha Verma , Burouj Armgaan , Sourav Medya , Sayan Ranu

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 increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

Machine Learning · Computer Science 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

Dynamic graphs are widely used to represent evolving real-world networks. Temporal Graph Neural Networks (TGNNs) have emerged as a powerful tool for processing such graphs, but the lack of transparency and explainability limits their…

Machine Learning · Computer Science 2025-12-30 Xuyan Li , Jie Wang , Zheng Yan

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. However, their predictions are often not interpretable. Post-hoc instance-level explanation methods have been proposed…

Machine Learning · Computer Science 2023-07-18 Jiaxing Zhang , Dongsheng Luo , Hua Wei

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki
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