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Accurate molecular force fields are of paramount importance for the efficient implementation of molecular dynamics techniques at large scales. In the last decade, machine learning methods have demonstrated impressive performances in…

Quantum Physics · Physics 2022-07-22 Oriel Kiss , Francesco Tacchino , Sofia Vallecorsa , Ivano Tavernelli

Nuclear masses are predicted with the Bayesian neural networks by learning the mass surface of even-even nuclei and the correlation energies to their neighbouring nuclei. By keeping the known physics in various sophisticated mass models and…

Nuclear Theory · Physics 2022-08-10 Z. M. Niu , H. Z. Liang

Quantum many-body systems are of great interest for many research areas, including physics, biology and chemistry. However, their simulation is extremely challenging, due to the exponential growth of the Hilbert space with the system size,…

Quantum Physics · Physics 2024-10-23 Lorenzo Brevi , Antonio Mandarino , Enrico Prati

The global behavior of the nuclear equation of state (EoS) is commonly studied using data from finite nuclei (FN), heavy-ion collisions, and astrophysical observations of neutron stars (NS). The constraints derived from FN such as binding…

Nuclear Theory · Physics 2026-04-10 Anagh Venneti , Chiranjib Mondal , Sk Md Adil Imam , Sarmistha Banik , Bijay K. Agrawal

Breast cancer is a common fatal disease for women. Early diagnosis and detection is necessary in order to improve the prognosis of breast cancer affected people. For predicting breast cancer, several automated systems are already developed…

Image and Video Processing · Electrical Eng. & Systems 2020-06-03 Subrato Bharati , Prajoy Podder , M. Rubaiyat Hossain Mondal

We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system. The traditional approach for fitting the potential energy…

Chemical Physics · Physics 2018-12-05 Shweta Jindal , Satya S. Bulusu

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

Machine learning offers a powerful framework for validating and predicting atomic mass. We compare three improved neural network methods for representation and extrapolation for atomic mass prediction. The powerful method, adopting a…

Nuclear Theory · Physics 2025-03-18 Yiming Huang , Jinhui Chen , Jiangyong Jia , Lu-Meng Liu , Yu-Gang Ma , Chunjian Zhang

The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. We explore a novel approach that combines…

Nuclear Theory · Physics 2016-10-19 Raditya Utama , Wei-Chia Chen , Jorge Piekarewicz

Artificial Neural Networks (ANN) have been popularized in many science and technological areas due to their capacity to solve many complex pattern matching problems. That is the case of Virtual Screening, a research area that studies how to…

Neural and Evolutionary Computing · Computer Science 2020-06-05 Christian F. Frasser , Carola de Benito , Vincent Canals , Miquel Roca , Pedro J. Ballester , Josep L. Rossello

Artificial neural networks which are inspired from the learning mechanism of brain have achieved great successes in many problems, especially those with deep layers. In this paper, we propose a nucleus neural network (NNN) and corresponding…

Computer Vision and Pattern Recognition · Computer Science 2019-05-15 Jia Liu , Maoguo Gong , Haibo He

Machine Learning methods and, in particular, Artificial Neural Networks (ANNs) have demonstrated promising capabilities in material constitutive modeling. One of the main drawbacks of such approaches is the lack of a rigorous frame based on…

Machine Learning · Computer Science 2020-12-18 Filippo Masi , Ioannis Stefanou , Paolo Vannucci , Victor Maffi-Berthier

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

Machine Learning · Computer Science 2020-08-28 Shengli Jiang , Prasanna Balaprakash

In this study we employ a feed-forward artificial neural network (FFNN) architecture to perform tomography of quantum states and processes obtained from noisy experimental data. To evaluate the performance of the FFNN, we use a heavily…

Quantum Physics · Physics 2024-11-05 Akshay Gaikwad , Omkar Bihani , Arvind , Kavita Dorai

Progress in the application of machine learning techniques to the prediction of solid-state and molecular materials properties has been greatly facilitated by the development state-of-the-art feature representations and novel deep learning…

Materials Science · Physics 2022-03-21 David E. Sommer , Scott T. Dunham

In this work, we explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime.…

The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Computational Physics · Physics 2024-08-29 Fanjie Xu , Wentao Guo , Feng Wang , Lin Yao , Hongshuai Wang , Fujie Tang , Zhifeng Gao , Linfeng Zhang , Weinan E , Zhong-Qun Tian , Jun Cheng

An artificial neural network (ANN) is investigated as a tool for estimating rate coefficients for the collisional excitation of molecules. The performance of such a tool can be evaluated by testing it on a dataset of collisionally-induced…

Instrumentation and Methods for Astrophysics · Physics 2014-11-20 David A. Neufeld

Partial Differential Equations (PDEs) are used to model a variety of dynamical systems in science and engineering. Recent advances in deep learning have enabled us to solve them in a higher dimension by addressing the curse of…

Accurate determination of three-dimensional (3D) atomic structures is crucial for understanding and controlling the properties of nanomaterials. Atomic electron tomography (AET) offers non-destructive atomic imaging with picometer-level…

Materials Science · Physics 2025-06-23 Juhyeok Lee , Yongsoo Yang
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