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Machine learning has made important headway in helping to improve the treatment of quantum many-body systems. A domain of particular relevance are correlated inhomogeneous systems. What has been missing so far is a general, scalable…

Quantum Physics · Physics 2026-02-10 Alex Blania , Sandro Herbig , Fabian Dechent , Evert van Nieuwenburg , Florian Marquardt

Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy,…

The Variational Monte Carlo method has recently seen important advances through the use of neural network quantum states. While more and more sophisticated ans\"atze have been designed to tackle a wide variety of quantum many-body problems,…

Nuclear Theory · Physics 2025-07-09 M. Drissi , J. W. T. Keeble , J. Rozalén Sarmiento , A. Rios

The widespread use of Deep Neural Networks (DNNs) has recently resulted in their application to challenging scientific visualization tasks. While advanced DNNs demonstrate impressive generalization abilities, understanding factors like…

Graphics · Computer Science 2024-08-13 Atul Kumar , Siddharth Garg , Soumya Dutta

Neural Network Variational Monte Carlo (NNVMC) has emerged as a promising paradigm for solving quantum many-body problems by combining variational Monte Carlo with expressive neural-network wave-function ans\"atze. Although NNVMC can…

Hardware Architecture · Computer Science 2026-03-24 Zhengze Xiao , Xuanzhe Ding , Yuyang Lou , Lixue Cheng , Chaojian Li

We employ machine learning techniques to provide accurate variational wavefunctions for matrix quantum mechanics, with multiple bosonic and fermionic matrices. Variational quantum Monte Carlo is implemented with deep generative flows to…

High Energy Physics - Theory · Physics 2020-04-01 Xizhi Han , Sean A. Hartnoll

We present a novel algorithmic approach and an error analysis leveraging Quasi-Monte Carlo points for training deep neural network (DNN) surrogates of Data-to-Observable (DtO) maps in engineering design. Our analysis reveals higher-order…

Numerical Analysis · Mathematics 2020-09-08 M. Longo , S. Mishra , T. K. Rusch , Ch. Schwab

The eigenvalue problem of quantum many-body systems is a fundamental and challenging subject in condensed matter physics, since the dimension of the Hilbert space (and hence the required computational memory and time) grows exponentially as…

Disordered Systems and Neural Networks · Physics 2021-05-12 Chen-Yu Liu , Daw-Wei Wang

We detect the quantum phase transition of a quantum many-body system by mapping the observed results of the quantum state onto a neural network. In the present study, we utilized the simplest case of a quantum many-body system, namely a…

Statistical Mechanics · Physics 2018-02-26 Shunta Arai , Masayuki Ohzeki , Kazuyuki Tanaka

ADCME is a novel computational framework to solve inverse problems involving physical simulations and deep neural networks (DNNs). This paper benchmarks its capability to learn spatially-varying physical fields using DNNs. We demonstrate…

Numerical Analysis · Mathematics 2020-11-25 Kailai Xu , Eric Darve

This work presents a quantum convolutional neural network (QCNN) for the classification of high energy physics events. The proposed model is tested using a simulated dataset from the Deep Underground Neutrino Experiment. The proposed…

Machine Learning · Computer Science 2020-12-23 Samuel Yen-Chi Chen , Tzu-Chieh Wei , Chao Zhang , Haiwang Yu , Shinjae Yoo

Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampling and local energy calculation. We develop a…

Quantum Physics · Physics 2023-11-02 Yangjun Wu , Chu Guo , Yi Fan , Pengyu Zhou , Honghui Shang

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

Variational representations of quantum states abound and have successfully been used to guess ground-state properties of quantum many-body systems. Some are based on partial physical insight (Jastrow, Gutzwiller projected, and fractional…

Quantum Physics · Physics 2019-12-18 Douglas Hendry , Adrian E. Feiguin

Monte Carlo methods have led to profound insights into the strong-coupling behaviour of lattice gauge theories and produced remarkable results such as first-principles computations of hadron masses. Despite tremendous progress over the last…

High Energy Physics - Lattice · Physics 2025-07-15 Anuj Apte , Anthony Ashmore , Clay Cordova , Tzu-Chen Huang

We discuss differences and similarities between variational Monte Carlo approaches that use conventional and artificial neural network parameterizations of the ground-state wave function for systems of fermions. We focus on a relatively…

Mesoscale and Nanoscale Physics · Physics 2025-01-13 Even M. Nordhagen , Jane M. Kim , Bryce Fore , Alessandro Lovato , Morten Hjorth-Jensen

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

Solving the quantum many-body Schr\"odinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum…

Computational Physics · Physics 2023-11-03 Kirill Neklyudov , Jannes Nys , Luca Thiede , Juan Carrasquilla , Qiang Liu , Max Welling , Alireza Makhzani

We consider a model of an artificial neural network that uses quantum-mechanical particles in a two-humped potential as a neuron. To simulate such a quantum-mechanical system the Monte-Carlo integration method is used. A form of the…

Quantum Physics · Physics 2018-06-27 V. I. Dorozhinsky , O. V. Pavlovsky

Self-learning Monte Carlo method [arXiv:1610.03137, 1611.09364] is a powerful general-purpose numerical method recently introduced to simulate many-body systems. In this work, we implement this method in the framework of determinantal…

Strongly Correlated Electrons · Physics 2018-07-12 Xiao Yan Xu , Yang Qi , Junwei Liu , Liang Fu , Zi Yang Meng