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Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expensive and repetitive energy and force computations required in…

Materials Science · Physics 2014-10-14 Venkatesh Botu , Rampi Ramprasad

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally…

Machine Learning · Computer Science 2026-03-16 Helen Qu , Rudy Morel , Michael McCabe , Alberto Bietti , François Lanusse , Shirley Ho , Yann LeCun

The advent of nucleon-nucleon potentials derived from chiral perturbation theory, as well as the so-called V-low-k approach to the renormalization of the strong short-range repulsion contained in the potentials, have brought renewed…

Nuclear Theory · Physics 2015-05-27 L. Coraggio , A. Covello , A. Gargano , N. Itaco , T. T. S. Kuo

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…

Chemical Physics · Physics 2021-07-09 Emir Kocer , Tsz Wai Ko , Jörg Behler

After a brief review of the theoretical description of nuclei based on nonrelativistic many-body theory and realistic hamiltonians, these lectures focus on its application to the analysis of the electroweak response. Special emphasis is…

Nuclear Theory · Physics 2015-05-13 Omar Benhar

We present global predictions of the ground state mass of atomic nuclei based on a novel Machine Learning (ML) algorithm. We combine precision nuclear experimental measurements together with theoretical predictions of unmeasured nuclei.…

Nuclear Theory · Physics 2023-04-19 M. R. Mumpower , M. Li , T. M. Sprouse , B. S. Meyer , A. E. Lovell , A. T. Mohan

Machine Learning facilitates building a large variety of models, starting from elementary linear regression models to very complex neural networks. Neural networks are currently limited by the size of data provided and the huge…

Materials Science · Physics 2023-08-25 Ruman Moulik , Ankita Phutela , Sajjan Sheoran , Saswata Bhattacharya

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

Nuclear Theory · Physics 2024-05-01 Jordan M. R. Fox , Kyle A. Wendt

Background: The masses of about 2500 nuclei have been measured experimentally, however more than 7000 isotopes are predicted to exist in the nuclear landscape from H (Z=1) to Og (Z=118) based on various theoretical calculations. Exploring…

Nuclear Theory · Physics 2023-11-17 Zepeng Gao , Yongjia Wang , Hongliang Lü , Qingfeng Li , Caiwan Shen , Ling Liu

This paper proposes a data-driven systematic, consistent and non-exhaustive approach to Model Selection, that is an extension of the classical agnostic PAC learning model. In this approach, learning problems are modeled not only by a…

Machine Learning · Statistics 2021-10-12 Diego Marcondes , Adilson Simonis , Junior Barrera

We report on a novel ab initio approach for nuclear few- and many-body systems with strangeness. Recently, we developed a relevant no-core shell model technique which we successfully applied in first calculations of lightest $\Lambda$…

Nuclear Theory · Physics 2015-06-18 D. Gazda , J. Mareš , P. Navrátil , R. Roth , R. Wirth

Neural networks have become popular in many fields of science since they serve as promising, reliable and powerful tools. In this work, we study the effect of data augmentation on the predictive power of neural network models for nuclear…

Machine Learning · Computer Science 2022-09-29 Hüseyin Bahtiyar , Derya Soydaner , Esra Yüksel

Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we…

Nuclear Theory · Physics 2018-03-29 C. Forssén , B. D. Carlsson , H. T. Johansson , D. Sääf , A. Bansal , G. Hagen , T. Papenbrock

This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered,…

Materials Science · Physics 2020-07-08 Rickard Armiento

The solution of the nuclear A-body problem encounters severe limitations from the size of many-body operators. These limitations are typically related to both the (iterative) storing of the associated tensors and to the computational time…

Nuclear Theory · Physics 2019-06-26 Alexander Tichai , Julien Ripoche , Thomas Duguet

A first-principles description of nuclear systems along the drip lines presents a substantial theoretical and computational challenge. In this paper, we discuss the nuclear theory roadmap, some of the key theoretical approaches, and present…

Nuclear Theory · Physics 2013-01-31 C. Forssen , G. Hagen , M. Hjorth-Jensen , W. Nazarewicz , J. Rotureau

This study is devoted to the inference problem of extracting the nuclear matter properties directly from a set of mass-radius observations. We employ Bayesian neural networks (BNNs), which is a probabilistic model capable of estimating the…

Nuclear Theory · Physics 2024-09-27 Valéria Carvalho , Márcio Ferreira , Constança Providência

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

Neural operators, which aim to approximate mappings between infinite-dimensional function spaces, have been widely applied in the simulation and prediction of physical systems. However, the limited representational capacity of network…

Machine Learning · Computer Science 2025-06-03 Jin Song , Kenji Kawaguchi , Zhenya Yan

Heavy atomic nuclei have an excess of neutrons over protons, which leads to the formation of a neutron skin whose thickness is sensitive to details of the nuclear force. This links atomic nuclei to properties of neutron stars, thereby…