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Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

Quantitative Methods · Quantitative Biology 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Explainable AI (XAI) is a research area whose objective is to increase trustworthiness and to enlighten the hidden mechanism of opaque machine learning techniques. This becomes increasingly important in case such models are applied to the…

Machine Learning · Computer Science 2021-04-19 Danilo Numeroso , Davide Bacciu

In recent years, Explainable AI (xAI) attracted a lot of attention as various countries turned explanations into a legal right. xAI allows for improving models beyond the accuracy metric by, e.g., debugging the learned pattern and…

Software Engineering · Computer Science 2022-10-05 Mohamed Karim Belaid , Eyke Hüllermeier , Maximilian Rabus , Ralf Krestel

Last years have been characterized by an upsurge of opaque automatic decision support systems, such as Deep Neural Networks (DNNs). Although they have great generalization and prediction skills, their functioning does not allow obtaining…

Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several…

Machine Learning · Computer Science 2026-05-12 Michele Fontanesi , Alessio Micheli , Marco Podda , Domenico Tortorella

Although Deep Neural Networks (DNNs) have great generalization and prediction capabilities, their functioning does not allow a detailed explanation of their behavior. Opaque deep learning models are increasingly used to make important…

Computer Vision and Pattern Recognition · Computer Science 2022-09-30 Adrien Bennetot , Gianni Franchi , Javier Del Ser , Raja Chatila , Natalia Diaz-Rodriguez

Nowadays, deep neural networks are widely used in mission critical systems such as healthcare, self-driving vehicles, and military which have direct impact on human lives. However, the black-box nature of deep neural networks challenges its…

Computer Vision and Pattern Recognition · Computer Science 2020-06-24 Arun Das , Paul Rad

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

Ensuring transparency and trust in artificial intelligence (AI) models is essential as they are increasingly deployed in safety-critical and high-stakes domains. Explainable AI (XAI) has emerged as a promising approach to address this…

Computer Vision and Pattern Recognition · Computer Science 2025-11-05 Reem Hammoud , Abdul Karim Gizzini , Ali J. Ghandour

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

The evolving landscape of explainable artificial intelligence (XAI) aims to improve the interpretability of intricate machine learning (ML) models, yet faces challenges in formalisation and empirical validation, being an inherently…

Objective. This paper presents an overview of generalizable and explainable artificial intelligence (XAI) in deep learning (DL) for medical imaging, aimed at addressing the urgent need for transparency and explainability in clinical…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Ahmad Chaddad , Yan Hu , Yihang Wu , Binbin Wen , Reem Kateb

Explainable Artificial Intelligence (XAI) is a rising field in AI. It aims to produce a demonstrative factor of trust, which for human subjects is achieved through communicative means, which Machine Learning (ML) algorithms cannot solely…

Machine Learning · Computer Science 2021-03-09 Jamie Andrew Duell

Modern AI systems frequently rely on opaque black-box models, most notably Deep Neural Networks, whose performance stems from complex architectures with millions of learned parameters. While powerful, their complexity poses a major…

Machine Learning · Computer Science 2026-02-23 David Dembinsky , Adriano Lucieri , Stanislav Frolov , Hiba Najjar , Ko Watanabe , Andreas Dengel

Artificial intelligence has become pervasive across disciplines and fields, and biomedical image and signal processing is no exception. The growing and widespread interest on the topic has triggered a vast research activity that is…

Machine Learning · Computer Science 2022-07-12 Guang Yang , Arvind Rao , Christine Fernandez-Maloigne , Vince Calhoun , Gloria Menegaz

Explainable AI (XAI) aims to provide interpretations for predictions made by learning machines, such as deep neural networks, in order to make the machines more transparent for the user and furthermore trustworthy also for applications in…

Machine Learning · Computer Science 2020-06-17 Kirill Bykov , Marina M. -C. Höhne , Klaus-Robert Müller , Shinichi Nakajima , Marius Kloft

Explainable AI (XAI) techniques are increasingly important for the validation and responsible use of modern deep learning models, but are difficult to evaluate due to the lack of good ground-truth to compare against. We propose a framework…

Artificial Intelligence · Computer Science 2026-05-19 Amritpal Singh , Andrey Barsky , Mohamed Ali Souibgui , Ernest Valveny , Dimosthenis Karatzas

Artificial intelligence (AI) systems utilizing deep neural networks (DNNs) and machine learning (ML) algorithms are widely used for solving important problems in bioinformatics, biomedical informatics, and precision medicine. However,…

Quantitative Methods · Quantitative Biology 2023-02-24 Md. Rezaul Karim , Tanhim Islam , Oya Beyan , Christoph Lange , Michael Cochez , Dietrich Rebholz-Schuhmann , Stefan Decker

There has recently been a surge of work in explanatory artificial intelligence (XAI). This research area tackles the important problem that complex machines and algorithms often cannot provide insights into their behavior and thought…

Artificial Intelligence · Computer Science 2019-02-05 Leilani H. Gilpin , David Bau , Ben Z. Yuan , Ayesha Bajwa , Michael Specter , Lalana Kagal
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