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Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…

Chemical Physics · Physics 2026-02-24 Valerii Andreichev , Jindra Dušek , Markus Meuwly , Jeremy O. Richardson

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Realistic nuclear potentials, derived within chiral perturbation theory, are a major breakthrough in modern nuclear structure theory, since they provide a direct link between nuclear physics and its underlying theory, namely the QCD. As a…

Nuclear Theory · Physics 2016-05-18 L. Coraggio , A. Gargano , J. W. Holt , N. Itaco , R. Machleidt , L. E. Marcucci , F. Sammarruca

Generative methods (Gen-AI) are reviewed with a particular goal of solving tasks in machine learning and Bayesian inference. Generative models require one to simulate a large training dataset and to use deep neural networks to solve a…

Computation · Statistics 2025-05-20 Maria Nareklishvili , Nick Polson , Vadim Sokolov

After a historical review, I present the progress in the field of realistic NN potentials that we have seen in recent years. A new generation of very quantitative (high-quality/high-precision) NN potentials has emerged. These potentials…

Nuclear Theory · Physics 2009-10-31 R. Machleidt

Quantum Machine Learning is where nowadays machine learning meets quantum information science. In order to implement this new paradigm for novel quantum technologies, we still need a much deeper understanding of its underlying mechanisms,…

Quantum Physics · Physics 2021-07-07 Paolo Braccia , Filippo Caruso , Leonardo Banchi

Neural network potentials (NNPs) enable large-scale molecular dynamics (MD) simulations of systems containing >10,000 atoms with the accuracy comparable to ab initio methods and play a crucial role in material studies. Although NNPs are…

High-energy heavy-ion physics and low-energy nuclear structure physics have historically been disconnected fields. The hydrodynamic description of the quark-gluon plasma (QGP) requires input from nuclear structure to model the initial…

Nuclear Theory · Physics 2025-12-08 T. Duguet , G. Giacalone , V. Somà , Y. Zhou

This chapter presents an overview of the optical model description of nucleon-nucleus scattering and reactions based on fundamental nuclear two-body and many-body forces. The chapter begins with a historical review followed by a discussion…

Nuclear Theory · Physics 2022-06-09 J. W. Holt , T. R. Whitehead

We introduce Nuclear Co-Learned Representations (NuCLR), a deep learning model that predicts various nuclear observables, including binding and decay energies, and nuclear charge radii. The model is trained using a multi-task approach with…

The rise of generative models for scientific research calls for the development of new methods to evaluate their fidelity. A natural framework for addressing this problem is two-sample hypothesis testing, namely the task of determining…

Machine Learning · Statistics 2025-08-05 Samuele Grossi , Marco Letizia , Riccardo Torre

The rise of foundation models -- large, pretrained machine learning models that can be finetuned to a variety of tasks -- has revolutionized the fields of natural language processing and computer vision. In high-energy physics, the question…

High Energy Physics - Phenomenology · Physics 2026-01-12 Anna Hallin

The present paper aims to demonstrate the usage of Convolutional Neural Networks as a generative model for stochastic processes, enabling researchers from a wide range of fields (such as quantitative finance and physics) to develop a…

Machine Learning · Statistics 2018-01-12 Fernando Fernandes Neto

Generative adversarial networks (GANs) have achieved remarkable success with realistic tasks such as creating realistic images, texts, and audio. Combining GANs and quantum computing, quantum GANs are thought to have an exponential…

Quantum Physics · Physics 2024-12-04 Haoran Ma , Liao Ye , Fanjie Ruan , Zichao Zhao , Maohui Li , Yuehai Wang , Jianyi Yang

3D data that contains rich geometry information of objects and scenes is valuable for understanding 3D physical world. With the recent emergence of large-scale 3D datasets, it becomes increasingly crucial to have a powerful 3D generative…

Computer Vision and Pattern Recognition · Computer Science 2020-12-29 Jianwen Xie , Zilong Zheng , Ruiqi Gao , Wenguan Wang , Song-Chun Zhu , Ying Nian Wu

Deep generative models, such as Generative Adversarial Networks (GANs) or Variational Autoencoders (VAs) have been demonstrated to produce images of high visual quality. However, the existing hardware severely limits the size of the images…

One of the most significant challenges in statistical signal processing and machine learning is how to obtain a generative model that can produce samples of large-scale data distribution, such as images and speeches. Generative Adversarial…

Computer Vision and Pattern Recognition · Computer Science 2020-05-28 Pegah Salehi , Abdolah Chalechale , Maryam Taghizadeh

I discuss the near-degeneracy between models of neutrino-nucleus interactions based on diverse assumptions, and analyze a specific example illustrating how the different reaction mechanisms taken into account, as well as the approximations…

Nuclear Theory · Physics 2016-12-06 Omar Benhar

The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models…

Generative AI poses both opportunities and risks for solving inverse design problems in the sciences. Generative tools provide the ability to expand and refine a search space autonomously, but do so at the cost of exploring low-quality…

Machine Learning · Computer Science 2025-10-01 Marcus Schwarting , Logan Ward , Nathaniel Hudson , Xiaoli Yan , Ben Blaiszik , Santanu Chaudhuri , Eliu Huerta , Ian Foster
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