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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

In the present work, a hyperelastic constitutive model based on neural networks is proposed which fulfills all common constitutive conditions by construction, and in particular, is applicable to compressible material behavior. Using…

Computational Engineering, Finance, and Science · Computer Science 2023-07-07 Lennart Linden , Dominik K. Klein , Karl A. Kalina , Jörg Brummund , Oliver Weeger , Markus Kästner

This article addresses the challenge of modeling the amplitude of spatially indexed low frequency fluctuations (ALFF) in resting state functional MRI as a function of cortical structural features and a multi-task coactivation network in the…

Methodology · Statistics 2026-02-09 Yeseul Jeon , Rajarshi Guhaniyogi , Aaron Scheffler

A longstanding challenge surrounding deep learning algorithms is unpacking and understanding how they make their decisions. Explainable Artificial Intelligence (XAI) offers methods to provide explanations of internal functions of algorithms…

Artificial Intelligence · Computer Science 2022-08-16 Amin Nayebi , Sindhu Tipirneni , Brandon Foreman , Chandan K. Reddy , Vignesh Subbian

The nondeterminism of Deep Learning (DL) training algorithms and its influence on the explainability of neural network (NN) models are investigated in this work with the help of image classification examples. To discuss the issue, two…

Machine Learning · Computer Science 2022-03-03 A. -M. Leventi-Peetz , T. Östreich

Composites are amongst the most important materials manufactured today, as evidenced by their use in countless applications. In order to establish the suitability of composites in specific applications, finite element (FE) modelling, a…

Machine Learning · Computer Science 2025-08-26 Varun Raaghav , Dimitrios Bikos , Antonio Rago , Francesca Toni , Maria Charalambides

We present xRAI an approach for extracting symbolic representations of the mathematical function a neural network was supposed to learn from the trained network. The approach is based on the idea of training a so-called interpretation…

Artificial Intelligence · Computer Science 2020-12-14 Christiann Bartelt , Sascha Marton , Heiner Stuckenschmidt

Recent legislative regulations have underlined the need for accountable and transparent artificial intelligence systems and have contributed to a growing interest in the Explainable Artificial Intelligence (XAI) field. Nonetheless, the lack…

Machine Learning · Computer Science 2025-10-14 Ilaria Vascotto , Alex Rodriguez , Alessandro Bonaita , Luca Bortolussi

Neural networks have proved an effective means of learning control policies for autonomous systems, but these learned policies are difficult to understand due to the black-box nature of neural networks. This lack of interpretability makes…

Machine Learning · Computer Science 2026-05-12 Hector Woods , Philippa Ryan , Rob Alexander

The major challenge in determining a hyperelastic model for a given material is the choice of invariants and the selection how the strain energy function depends functionally on these invariants. Here we introduce a new data-driven…

Soft Condensed Matter · Physics 2025-09-19 Denisa Martonová , Alain Goriely , Ellen Kuhl

To advance the transparency of learning machines such as Deep Neural Networks (DNNs), the field of Explainable AI (XAI) was established to provide interpretations of DNNs' predictions. While different explanation techniques exist, a popular…

In this work, a hybrid physics-based data-driven surrogate model for the microscale analysis of heterogeneous material is investigated. The proposed model benefits from the physics-based knowledge contained in the constitutive models used…

Materials Science · Physics 2024-04-30 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

Despite the recent, widespread focus on eXplainable AI (XAI), explanations computed by XAI methods tend to provide little insight into the functioning of Neural Networks (NNs). We propose a novel framework for obtaining (local) explanations…

Artificial Intelligence · Computer Science 2021-06-15 Emanuele Albini , Piyawat Lertvittayakumjorn , Antonio Rago , Francesca Toni

Machine learned potentials are becoming a popular tool to define an effective energy model for complex systems, either incorporating electronic structure effects at the atomistic resolution, or effectively renormalizing part of the…

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

Explainable Artificial Intelligence (XAI), i.e., the development of more transparent and interpretable AI models, has gained increased traction over the last few years. This is due to the fact that, in conjunction with their growth into…

Machine Learning · Computer Science 2020-05-14 Erika Puiutta , Eric MSP Veith

Trustworthy interpretation of deep learning models is critical for neuroimaging applications, yet commonly used Explainable AI (XAI) methods lack rigorous validation, risking misinterpretation. We performed the first large-scale, systematic…

Machine Learning · Computer Science 2025-08-07 Nys Tjade Siegel , James H. Cole , Mohamad Habes , Stefan Haufe , Kerstin Ritter , Marc-André Schulz

In this work, we present a deep neural network architecture that can efficiently approximate classical elasto-plastic constitutive relations. The network is enriched with crucial physics aspects of classical elasto-plasticity, including…

Machine Learning · Computer Science 2022-04-27 Mahdad Eghbalian , Mehdi Pouragha , Richard Wan

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

Ensuring both transparency and safety is critical when deploying Deep Neural Networks (DNNs) in high-risk applications, such as medicine. The field of explainable AI (XAI) has proposed various methods to comprehend the decision-making…

Computer Vision and Pattern Recognition · Computer Science 2024-04-30 Maximilian Dreyer , Reduan Achtibat , Wojciech Samek , Sebastian Lapuschkin