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One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Amarda Shehu , Liang Zhao

Graph neural networks (GNNs) have proven their efficacy in a variety of real-world applications, but their underlying mechanisms remain a mystery. To address this challenge and enable reliable decision-making, many GNN explainers have been…

Machine Learning · Computer Science 2023-10-12 Yiqiao Li , Jianlong Zhou , Yifei Dong , Niusha Shafiabady , Fang Chen

Explaining the decision-making processes of Artificial Intelligence (AI) models is crucial for addressing their "black box" nature, particularly in tasks like image classification. Traditional eXplainable AI (XAI) methods typically rely on…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Yifei Zhang , Tianxu Jiang , Bo Pan , Jingyu Wang , Guangji Bai , Liang Zhao

The identification of cancer genes is a critical yet challenging problem in cancer genomics research. Existing computational methods, including deep graph neural networks, fail to exploit the multilayered gene-gene interactions or provide…

Machine Learning · Computer Science 2023-05-04 Michail Chatzianastasis , Michalis Vazirgiannis , Zijun Zhang

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

Machine Learning · Computer Science 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Explainable artificial intelligence (XAI) plays an indispensable role in demystifying the decision-making processes of AI, especially within the healthcare industry. Clinicians rely heavily on detailed reasoning when making a diagnosis,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Anna Stubbin , Thompson Chyrikov , Jim Zhao , Christina Chajo

Counterfactual explanations are increasingly used as an Explainable Artificial Intelligence (XAI) technique to provide stakeholders of complex machine learning algorithms with explanations for data-driven decisions. The popularity of…

Artificial Intelligence · Computer Science 2023-04-26 Dieter Brughmans , Lissa Melis , David Martens

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

The accelerated progress of artificial intelligence (AI) has popularized deep learning models across various domains, yet their inherent opacity poses challenges, particularly in critical fields like healthcare, medicine, and the…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Michail Mamalakis , Antonios Mamalakis , Ingrid Agartz , Lynn Egeland Mørch-Johnsen , Graham Murray , John Suckling , Pietro Lio

Nowadays, deep neural networks are widely used in a variety of fields that have a direct impact on society. Although those models typically show outstanding performance, they have been used for a long time as black boxes. To address this,…

Machine Learning · Computer Science 2022-10-11 Huawei Sun , Lorenzo Servadei , Hao Feng , Michael Stephan , Robert Wille , Avik Santra

Graph Neural Networks (GNNs) have shown remarkable success in molecular tasks, yet their interpretability remains challenging. Traditional model-level explanation methods like XGNN and GNNInterpreter often fail to identify valid…

Machine Learning · Computer Science 2025-04-25 Zhaoning Yu , Hongyang Gao

Explainable Artificial Intelligence (XAI) is an emerging research field bringing transparency to highly complex and opaque machine learning (ML) models. Despite the development of a multitude of methods to explain the decisions of black-box…

Machine Learning · Computer Science 2022-03-16 Leander Weber , Sebastian Lapuschkin , Alexander Binder , Wojciech Samek

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes…

Machine Learning · Computer Science 2024-10-22 Yinhan He , Zaiyi Zheng , Patrick Soga , Yaozhen Zhu , yushun Dong , Jundong Li

The remarkable success of deep learning has prompted interest in its application to medical imaging diagnosis. Even though state-of-the-art deep learning models have achieved human-level accuracy on the classification of different types of…

Image and Video Processing · Electrical Eng. & Systems 2023-09-20 Cristiano Patrício , João C. Neves , Luís F. Teixeira

The application of deep learning in medical imaging has significantly advanced diagnostic capabilities, enhancing both accuracy and efficiency. Despite these benefits, the lack of transparency in these AI models, often termed "black boxes,"…

Computer Vision and Pattern Recognition · Computer Science 2024-09-23 Eleonora Beatrice Rossi , Eleonora Lopez , Danilo Comminiello

Deep neural networks (DNNs) have greatly impacted numerous fields over the past decade. Yet despite exhibiting superb performance over many problems, their black-box nature still poses a significant challenge with respect to explainability.…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Snir Vitrack Tamam , Raz Lapid , Moshe Sipper

Counterfactual explanations have emerged as a popular solution for the eXplainable AI (XAI) problem of elucidating the predictions of black-box deep-learning systems due to their psychological validity, flexibility across problem domains…

Machine Learning · Computer Science 2022-12-20 Eoin Delaney , Arjun Pakrashi , Derek Greene , Mark T. Keane

Communication networks are becoming increasingly complex towards 6G. Manual management is no longer an option for network operators. Network automation has been widely discussed in the networking community, and it is a sensible means to…

Networking and Internet Architecture · Computer Science 2022-05-12 Yulei Wu , Guozhi Lin , Jingguo Ge

Generative AI (GenAI) marked a shift from AI being able to recognize to AI being able to generate solutions for a wide variety of tasks. As the generated solutions and applications become increasingly more complex and multi-faceted, novel…

Artificial Intelligence · Computer Science 2024-04-16 Johannes Schneider