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First-principles computations are the driving force behind numerous discoveries of hydride-based superconductors, mostly at high pressures, during the last decade. Machine-learning (ML) approaches can further accelerate the future…

Superconductivity · Physics 2023-06-01 Huan Tran , Tuoc N. Vu

This literature review presents a comprehensive overview of machine learning (ML) applications in proton magnetic resonance spectroscopy (MRS). As the use of ML techniques in MRS continues to grow, this review aims to provide the MRS…

Molecular property prediction is of crucial importance in many disciplines such as drug discovery, molecular biology, or material and process design. The frequently employed quantitative structure-property/activity relationships…

Biomolecules · Quantitative Biology 2024-01-17 Jan G. Rittig , Qinghe Gao , Manuel Dahmen , Alexander Mitsos , Artur M. Schweidtmann

The dream of machine learning in materials science is for a model to learn the underlying physics of an atomic system, allowing it to move beyond interpolation of the training set to the prediction of properties that were not present in the…

Computational Physics · Physics 2020-08-26 Paul Sinz , Michael W. Swift , Xavier Brumwell , Jialin Liu , Kwang Jin Kim , Yue Qi , Matthew Hirn

Neutrino oscillation experiments aim to measure the neutrino oscillation parameters with accuracy and achieve a complete understanding of neutrino physics. For determining the neutrino oscillation parameters, knowledge of neutrino energy is…

High Energy Physics - Phenomenology · Physics 2021-05-28 Srishti Nagu , Jaydip Singh , Jyotsna Singh , R. B. Singh

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics and fundamental symmetries. The long-standing goal of creating a predictive global model for the binding energy of a nucleus remains a…

One of the goals of current particle physics research is to obtain evidence for new physics, that is, physics beyond the Standard Model (BSM), at accelerators such as the Large Hadron Collider (LHC) at CERN. The searches for new physics are…

High Energy Physics - Phenomenology · Physics 2022-07-12 Braden Kronheim , Michelle Kuchera , Harrison Prosper , Alexander Karbo

Advances in Deep Learning bring further investigation into credibility and robustness, especially for safety-critical engineering applications such as the nuclear industry. The key challenges include the availability of data set (often…

Machine Learning · Computer Science 2024-05-29 Yu Chen , Edoardo Patelli , Zhen Yang , Adolphus Lye

Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic…

Computational Physics · Physics 2025-04-23 David Immel , Ralf Drautz , Godehard Sutmann

As ultracold atom experiments become highly controlled and scalable quantum simulators, they require sophisticated control over high-dimensional parameter spaces and generate increasingly complex measurement data that need to be analyzed…

Quantum Gases · Physics 2025-09-11 Henning Schlömer , Annabelle Bohrdt

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

As machine learning (ML) methods continue to be applied to a broad scope of problems in the physical sciences, uncertainty quantification is becoming correspondingly more important for their robust application. Uncertainty aware machine…

Our knowledge of the properties of dense nuclear matter is usually obtained indirectly via nuclear experiments, astrophysical observations, and nuclear theory calculations. Advancing our understanding of the nuclear equation of state (EOS,…

Nuclear Theory · Physics 2023-05-29 Yongjia Wang , Qingfeng Li

Machine learning (ML) is the field of training machines to achieve high level of cognition and perform human-like analysis. Since ML is a data-driven approach, it seemingly fits into our daily lives and operations as well as complex and…

Machine Learning · Computer Science 2021-11-25 M. Z. Naser , Amir Alavi

Multiple studies have now demonstrated that machine learning (ML) can give improved skill for predicting or simulating fairly typical weather events, for tasks such as short-term and seasonal weather forecasting, downscaling simulations to…

Atmospheric and Oceanic Physics · Physics 2023-08-30 Peter AG Watson

We employ so-called quantum kernel estimation to exploit complex quantum dynamics of solid-state nuclear magnetic resonance for machine learning. We propose to map an input to a feature space by input-dependent Hamiltonian evolution, and…

Quantum Physics · Physics 2022-03-14 Takeru Kusumoto , Kosuke Mitarai , Keisuke Fujii , Masahiro Kitagawa , Makoto Negoro

The complexity of glasses makes it challenging to explain their dynamics. Machine Learning (ML) has emerged as a promising pathway for understanding glassy dynamics by linking their structural features to rearrangement dynamics. Support…

Soft Condensed Matter · Physics 2025-02-11 Arabind Swain , Sean Alexander Ridout , Ilya Nemenman

Quantum Machine Learning (QML) presents as a revolutionary approach to weather forecasting by using quantum computing to improve predictive modeling capabilities. In this study, we apply QML models, including Quantum Gated Recurrent Units…

Quantum Physics · Physics 2025-09-15 Saiyam Sakhuja , Shivanshu Siyanwal , Abhishek Tiwari , Britant , Savita Kashyap

Machine learning models have exhibited exceptional results in various domains. The most prevalent approach for learning is the empirical risk minimizer (ERM), which adapts the model's weights to reduce the loss on a training set and…

Machine Learning · Computer Science 2024-12-11 Koby Bibas