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Although standard Convolutional Neural Networks (CNNs) can be mathematically reinterpreted as Self-Explainable Models (SEMs), their built-in prototypes do not on their own accurately represent the data. Replacing the final linear layer with…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Ahcène Boubekki , Line H. Clemmensen

EXplainable AI has received significant attention in recent years. Machine learning models often operate as black boxes, lacking explainability and transparency while supporting decision-making processes. Local post-hoc explainability…

Artificial Intelligence · Computer Science 2024-05-24 Gianvincenzo Alfano , Sergio Greco , Domenico Mandaglio , Francesco Parisi , Reza Shahbazian , Irina Trubitsyna

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

Machine Learning · Computer Science 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

Parameter Estimation (PE) and State Estimation (SE) are the most wide-spread tasks in the system engineering. They need to be done automatically, fast and frequently, as measurements arrive. Deep Learning (DL) holds the promise of tackling…

Machine Learning · Computer Science 2021-02-15 Laurent Pagnier , Michael Chertkov

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into individual predictions, global explanation methods, those that…

Machine Learning · Computer Science 2025-10-30 Burouj Armgaan , Eshan Jain , Harsh Pandey , Mahesh Chandran , Sayan Ranu

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

Machine Learning · Computer Science 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

Large Language Models (LLMs) are deployed as powerful tools for several natural language processing (NLP) applications. Recent works show that modern LLMs can generate self-explanations (SEs), which elicit their intermediate reasoning steps…

Computation and Language · Computer Science 2024-03-15 Chirag Agarwal , Sree Harsha Tanneru , Himabindu Lakkaraju

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

Machine Learning · Computer Science 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun

Spatio-temporal graph neural networks (STGNNs) have gained popularity as a powerful tool for effectively modeling spatio-temporal dependencies in diverse real-world urban applications, including intelligent transportation and public safety.…

Machine Learning · Computer Science 2023-10-27 Jiabin Tang , Lianghao Xia , Chao Huang

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case…

Machine Learning · Computer Science 2023-10-12 Drake Brown , Trevor Garrity , Kaden Parker , Jason Oliphant , Stone Carson , Cole Hanson , Zachary Boyd

Graph Neural Networks (GNNs) have boosted the performance for many graph-related tasks. Despite the great success, recent studies have shown that GNNs are highly vulnerable to adversarial attacks, where adversaries can mislead the GNNs'…

Machine Learning · Computer Science 2022-11-23 Wenqi Fan , Wei Jin , Xiaorui Liu , Han Xu , Xianfeng Tang , Suhang Wang , Qing Li , Jiliang Tang , Jianping Wang , Charu Aggarwal

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

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) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

Machine Learning · Computer Science 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj

Transparency and accountability have become major concerns for black-box machine learning (ML) models. Proper explanations for the model behavior increase model transparency and help researchers develop more accountable models. Graph neural…

Machine Learning · Computer Science 2023-05-09 Shichang Zhang , Jiani Zhang , Xiang Song , Soji Adeshina , Da Zheng , Christos Faloutsos , Yizhou Sun

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

Interpretable insights from predictive models remain critical in bio-statistics, particularly when assessing causality, where classical statistical and machine learning methods often provide inherent clarity. While Neural Networks (NNs)…

Applications · Statistics 2025-05-02 Jean-Baptiste A. Conan

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data.…

Machine Learning · Computer Science 2022-09-27 Yaochen Xie , Sumeet Katariya , Xianfeng Tang , Edward Huang , Nikhil Rao , Karthik Subbian , Shuiwang Ji
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