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Related papers: Nuclear mass predictions using machine learning mo…

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The existing nuclear masses formula and nuclear masses model has undoubtedly achieved very good results, but it is still not satisfactory for some nuclear masses. Although there are many studies in Odd-Even staggering (OES) of nuclear…

Nuclear Theory · Physics 2020-05-12 B. B. Jiao

The kernel ridge regression (KRR) approach is extended to include the odd-even effects in nuclear mass predictions by remodulating the kernel function without introducing new weight parameters and inputs in the training network. By taking…

Nuclear Theory · Physics 2021-06-03 X. H. Wu , L. H. Guo , P. W. Zhao

The IMPRESSION (Intelligent Machine PREdiction of Shift and Scalar Information Of Nuclei) machine learning system provides an efficient and accurate route to the prediction of NMR parameters from 3-dimensional chemical structures. Here we…

By using a machine learning algorithms, we present an improved nuclear mass table with a root mean square deviation of less than $200$\.keV. The model is equipped with statistical error bars in order to compare with available experimental…

Nuclear Theory · Physics 2021-04-01 M. Shelley , A. Pastore

Event generators in high-energy nuclear and particle physics play an important role in facilitating studies of particle reactions. We survey the state-of-the-art of machine learning (ML) efforts at building physics event generators. We…

High Energy Physics - Phenomenology · Physics 2021-12-30 Yasir Alanazi , N. Sato , Pawel Ambrozewicz , Astrid N. Hiller Blin , W. Melnitchouk , Marco Battaglieri , Tianbo Liu , Yaohang Li

The widespread application of machine learning (ML) to the chemical sciences is making it very important to understand how the ML models learn to correlate chemical structures with their properties, and what can be done to improve the…

With the help of radial basis function (RBF) and the Garvey-Kelson relation, the accuracy and predictive power of some global nuclear mass models are significantly improved. The rms deviation between predictions from four models and 2149…

Nuclear Theory · Physics 2011-11-18 Ning Wang , Min Liu

Machine learning (ML) methods have become powerful tools for predicting material properties with near first-principles accuracy and vastly reduced computational cost. However, the performance of ML models critically depends on the quality,…

Materials Science · Physics 2025-11-20 Pol Benítez , Cibrán López , Edgardo Saucedo , Teruyasu Mizoguchi , Claudio Cazorla

Particle-based modeling of materials at atomic scale plays an important role in the development of new materials and understanding of their properties. The accuracy of particle simulations is determined by interatomic potentials, which…

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…

Nuclear mass contains a wealth of nuclear structure information, and has been widely employed to extract the nuclear effective interactions. The known nuclear mass is usually extracted from the experimental atomic mass by subtracting the…

Nuclear Theory · Physics 2016-05-10 Jing Tang , Zhong-Ming Niu , Jian-You Guo

Accurate determination of nuclear fission barrier heights is essential for understanding nuclear stability, fission dynamics, and nucleosynthesis. However, theoretical models such as the Extended Thomas-Fermi plus Strutinsky Integral…

Nuclear Theory · Physics 2026-04-21 Kun Ratha Kean , Yoritaka Iwata

Artificial neural networks are trained by a standard backpropagation learning algorithm with regularization to model and predict the systematics of -decay of heavy and superheavy nuclei. This approach to regression is implemented in two…

Nuclear Theory · Physics 2019-10-29 Paulo S. A. Freitas , John W. Clark

The calculation of reactive properties is a challenging task in chemical reaction discovery. Machine learning (ML) methods play an important role in accelerating electronic structure predictions of activation energies and reaction…

Chemical Physics · Physics 2025-05-02 Joe Gilkes , Mark Storr , Reinhard J. Maurer , Scott Habershon

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic…

Chemical Physics · Physics 2023-06-06 Joe D. Morrow , John L. A. Gardner , Volker L. Deringer

Lithium-ion batteries are a key energy storage technology driving revolutions in mobile electronics, electric vehicles and renewable energy storage. Capacity retention is a vital performance measure that is frequently utilized to assess…

Machine Learning · Computer Science 2024-10-10 Michael J. Kenney , Katerina G. Malollari , Sergei V. Kalinin , Maxim Ziatdinov

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

Machine Learning (ML) algorithms have been demonstrated to be capable of predicting impact parameter in heavy-ion collisions from transport model simulation events with perfect detector response. We extend the scope of ML application to…

Mass is a fundamental property and an important fingerprint of atomic nucleus. It provides an extremely useful test ground for nuclear models and is crucial to understand energy generation in stars as well as the heavy elements synthesized…

Nuclear Theory · Physics 2018-07-17 Zhongming Niu , Haozhao Liang , Baohua Sun , Yifei Niu , Jianyou Guo , Jie Meng

In this work, we discuss use of machine learning techniques for rapid prediction of detonation properties including explosive energy, detonation velocity, and detonation pressure. Further, analysis is applied to individual molecules in…