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Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Active learning algorithms propose which unlabeled objects should be queried for their labels to improve a predictive model the most. We study active learners that minimize generalization bounds and uncover relationships between these…

Machine Learning · Computer Science 2017-06-09 Tom J. Viering , Jesse H. Krijthe , Marco Loog

Machine learning (ML) models, demonstrably powerful, suffer from a lack of interpretability. The absence of transparency, often referred to as the black box nature of ML models, undermines trust and urges the need for efforts to enhance…

Machine Learning · Computer Science 2024-06-25 Fatima Ezzeddine

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

The growing number of AI applications, also for high-stake decisions, increases the interest in Explainable and Interpretable Machine Learning (XI-ML). This trend can be seen both in the increasing number of regulations and strategies for…

This paper introduces an integrated system designed to enhance the explainability of fault diagnostics in complex systems, such as nuclear power plants, where operator understanding is critical for informed decision-making. By combining a…

Artificial Intelligence · Computer Science 2024-02-13 Akshay J. Dave , Tat Nghia Nguyen , Richard B. Vilim

Machine learning (ML) has become an integral component of high energy physics data analyses and is likely to continue to grow in prevalence. Physicists are incorporating ML into many aspects of analysis, from using boosted decision trees to…

High Energy Physics - Experiment · Physics 2024-01-04 Elliott Kauffman , Alexander Held , Oksana Shadura

A recent trend in machine learning has been to enrich learned models with the ability to explain their own predictions. The emerging field of Explainable AI (XAI) has so far mainly focused on supervised learning, in particular, deep neural…

Machine Learning · Computer Science 2022-07-13 Jacob Kauffmann , Malte Esders , Lukas Ruff , Grégoire Montavon , Wojciech Samek , Klaus-Robert Müller

The many ways in which machine and deep learning are transforming the analysis and simulation of data in particle physics are reviewed. The main methods based on boosted decision trees and various types of neural networks are introduced,…

Data Analysis, Statistics and Probability · Physics 2020-05-07 Dimitri Bourilkov

Research in Explainable Artificial Intelligence (XAI) is increasing, aiming to make deep learning models more transparent. Most XAI methods focus on justifying the decisions made by Artificial Intelligence (AI) systems in security-relevant…

Machine Learning (ML) has recently been demonstrated to rival expert-level human accuracy in prediction and detection tasks in a variety of domains, including medicine. Despite these impressive findings, however, a key barrier to the full…

Artificial Intelligence · Computer Science 2021-07-01 D. Fompeyrine , E. S. Vorm , N. Ricka , F. Rose , G. Pellegrin

This paper examines two different yet related questions related to explainable AI (XAI) practices. Machine learning (ML) is increasingly important in financial services, such as pre-approval, credit underwriting, investments, and various…

Machine Learning · Computer Science 2022-09-21 Swati Tyagi

This tutorial intends to introduce readers with a background in AI to quantum machine learning (QML) -- a rapidly evolving field that seeks to leverage the power of quantum computers to reshape the landscape of machine learning. For…

We introduce a robust, interpretable machine learning (ML) framework that combines numerical regression for high-accuracy predictions with symbolic regression to uncover the underlying physics. This hybrid approach effciently derives…

Nuclear Theory · Physics 2025-12-09 B. Maheshwari , P. Van Isacker

Nuclear magnetic resonance (NMR) spectroscopy provides an experimental readout of local chemical environments, but its use in molecular representation learning has been constrained by heterogeneous data and incomplete atom-level…

Chemical Physics · Physics 2026-05-12 Jiebin Fang , Zidi Yan , Churu Mao , Yongjun Jiang , Xinyi Tang , Lei Miao , Dan Lu , Yun Huang , Wanjing Ding , Zhongjun Ma

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…

This chapter reviews the application of Artificial Intelligence (AI) techniques to the study of galaxy clusters, covering both theoretical developments and their use as tools to infer cluster properties from a variety of observational…

Cosmology and Nongalactic Astrophysics · Physics 2026-05-22 Gustavo Yepes , Daniel de Andrés

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev

Deep reinforcement learning has been extensively studied in decision-making processes and has demonstrated superior performance over conventional approaches in various fields, including radar resource management (RRM). However, a notable…

Machine Learning · Computer Science 2025-06-27 Ziyang Lu , M. Cenk Gursoy , Chilukuri K. Mohan , Pramod K. Varshney

As machine learning (ML) systems take a more prominent and central role in contributing to life-impacting decisions, ensuring their trustworthiness and accountability is of utmost importance. Explanations sit at the core of these desirable…

Machine Learning · Computer Science 2021-06-16 Sahil Verma , Aditya Lahiri , John P. Dickerson , Su-In Lee