Machine learning for correlations of electromagnetic properties in <i>ab initio</i> calculations

In nuclear structure theory, accurately predicting electromagnetic observables, such as moments and transition rates, is essential for a comprehensive understanding of nuclear properties. However, computational limitations and conceptual difficulties often hinder the precise calculation of these observables. In this work, we extend machine learning methods for model-space extrapolations to electric quadrupole moments. We further present a new machine learning approach that leverages the correlations between energies, radii, and electromagnetic observables. By learning these correlations from no-core shell model calculations in accessible model spaces, this new model enables the prediction of electromagnetic observables in the full Hilbert space from predictions of full-space energies and radii, which can be obtained with established machine learning extrapolation tools. An essential property of our approach is the capability of uncertainty quantification, allowing for reliable predictions with combined statistical error estimates for many-body and interaction uncertainties. Being solely built upon the physical correlations of different observables, it can be generalized across different methods. We demonstrate the power of this new extrapolation scheme through a precision study of electric quadrupole moments across a wide range of <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mi>p</a:mi></a:math>-shell nuclei.

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Institutions

Publication Details

Journal
Physical review. C
Published
2025-08-08
DOI
https://doi.org/10.1103/frfs-xz86
Citations
1
Primary Topic
Nuclear physics research studies
Type
article
Field-Weighted Citation Impact
1.87

Funders

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article

Machine learning for correlations of electromagnetic properties in ab initio calculations

Marc L. Agel, Tobias Wolfgruber, Pieter Maris, Marco Knöll et al.
1 citations
Physical review. C
Nuclear physics research studies
1.87
article

Machine learning for correlations of electromagnetic properties in ab initio calculations

Marc L. Agel, Tobias Wolfgruber, Pieter Maris, Marco Knöll, Robert Roth
article en
1 citations

Abstract

In nuclear structure theory, accurately predicting electromagnetic observables, such as moments and transition rates, is essential for a comprehensive understanding of nuclear properties. However, computational limitations and conceptual difficulties often hinder the precise calculation of these observables. In this work, we extend machine learning methods for model-space extrapolations to electric quadrupole moments. We further present a new machine learning approach that leverages the correlations between energies, radii, and electromagnetic observables. By learning these correlations from no-core shell model calculations in accessible model spaces, this new model enables the prediction of electromagnetic observables in the full Hilbert space from predictions of full-space energies and radii, which can be obtained with established machine learning extrapolation tools. An essential property of our approach is the capability of uncertainty quantification, allowing for reliable predictions with combined statistical error estimates for many-body and interaction uncertainties. Being solely built upon the physical correlations of different observables, it can be generalized across different methods. We demonstrate the power of this new extrapolation scheme through a precision study of electric quadrupole moments across a wide range of <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mi>p</a:mi></a:math>-shell nuclei.

Physical review. CVol. 112(3)
Iowa State University (US), Technische Universität Darmstadt (DE), Institut für Hochschulforschung (DE)
U.S. Department of Energy, National Energy Research Scientific Computing Center, Deutsche Forschungsgemeinschaft, Bundesministerium für Bildung und Forschung, Technische Universität Darmstadt, Office of Science, Argonne National Laboratory
Openalex Percentile: Top 12%
Nuclear physics research studies
1.87
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