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Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states. We present an extension of one such ansatz, FermiNet, to calculations of the…

Computational Physics · Physics 2023-02-01 G. Cassella , H. Sutterud , S. Azadi , N. D. Drummond , D. Pfau , J. S. Spencer , W. M. C. Foulkes

Neural network parametrizations have increasingly been used to represent the ground and excited states in variational Monte Carlo (VMC) with promising results. However, traditional VMC methods only optimize the wave function in regions of…

Computational Physics · Physics 2025-07-03 Huan Zhang , Robert J. Webber , Michael Lindsey , Timothy C. Berkelbach , Jonathan Weare

In the last few years, quantum computing and machine learning fostered rapid developments in their respective areas of application, introducing new perspectives on how information processing systems can be realized and programmed. The…

In recent years, neural networks (NNs) have driven significant advances in machine learning. However, as tasks grow more complex, NNs often require large numbers of trainable parameters, which increases computational and energy demands.…

The variational quantum Monte Carlo (VQMC) method received significant attention in the recent past because of its ability to overcome the curse of dimensionality inherent in many-body quantum systems. Close parallels exist between VQMC and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-01 Tianchen Zhao , Saibal De , Brian Chen , James Stokes , Shravan Veerapaneni

Quantum state tomography is a daunting challenge of experimental quantum computing even in moderate system size. One way to boost the efficiency of state tomography is via local measurements on reduced density matrices, but the…

Quantum Physics · Physics 2019-12-03 Tao Xin , Sirui Lu , Ningping Cao , Galit Anikeeva , Dawei Lu , Jun Li , Guilu Long , Bei Zeng

Characterization of quantum systems from experimental data is a central problem in quantum science and technology. But which measurements should be used to gather data in the first place? While optimal measurement choices can be worked out…

Quantum Physics · Physics 2025-07-15 Jiaxin Huang , Yan Zhu , Giulio Chiribella , Ya-Dong Wu

Neural networks (NNs) representing quantum states are typically trained using Markov chain Monte Carlo based methods. However, unless specifically designed, such samplers only consist of local moves, making the slow-mixing problem prominent…

Quantum Physics · Physics 2022-09-28 Yuan-Hang Zhang , Massimiliano Di Ventra

Physicists dating back to Feynman have lamented the difficulties of applying the variational principle to quantum field theories. In non-relativistic quantum field theories, the challenge is to parameterize and optimize over the infinitely…

Quantum Physics · Physics 2024-09-04 John M. Martyn , Khadijeh Najafi , Di Luo

The challenge of quantum many-body problems comes from the difficulty to represent large-scale quantum states, which in general requires an exponentially large number of parameters. Recently, a connection has been made between quantum…

Disordered Systems and Neural Networks · Physics 2017-11-01 Xun Gao , Lu-Ming Duan

This article aims to summarize recent and ongoing efforts to simulate continuous-variable quantum systems using flow-based variational quantum Monte Carlo techniques, focusing for pedagogical purposes on the example of bosons in the field…

Quantum Physics · Physics 2022-03-29 James Stokes , Brian Chen , Shravan Veerapaneni

Machine learning algorithms provide a new perspective on the study of physical phenomena. In this paper, we explore the nature of quantum phase transitions using multi-color convolutional neural-network (CNN) in combination with quantum…

Disordered Systems and Neural Networks · Physics 2019-03-27 Xiao-Yu Dong , Frank Pollmann , Xue-Feng Zhang

We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum many-body systems in continuous Hilbert…

Nuclear Theory · Physics 2025-04-30 Elad Parnes , Nir Barnea , Giuseppe Carleo , Alessandro Lovato , Noemi Rocco , Xilin Zhang

We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large…

Strongly Correlated Electrons · Physics 2020-01-22 Arbel Haim , Richard Kueng , Gil Refael

Optimization drives advances in quantum science and machine learning, yet most generative models aim to mimic data rather than to discover optimal answers to challenging problems. Here we present a variational generative optimization…

Quantum Physics · Physics 2025-08-19 Lingxia Zhang , Xiaodie Lin , Peidong Wang , Kaiyan Yang , Xiao Zeng , Zhaohui Wei , Zizhu Wang

Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…

Quantum Physics · Physics 2023-02-14 Mingxia Huo , Ying Li

The simulation of quantum many-body systems poses a significant challenge in physics due to the exponential scaling of Hilbert space with the number of particles. Traditional methods often struggle with large system sizes and frustrated…

Materials Science · Physics 2024-05-27 Avishek Singh , Nirmal Ganguli

Solving quantum many-body systems is one of the most significant regimes where quantum computing applies. Currently, as a hardware-friendly computational paradigms, variational algorithms are often used for finding the ground energy of…

Quantum Physics · Physics 2026-02-10 Yong Liu , Guangyao Huang , Yizhi Wang , Junjie Wu

Large language models, like transformers, have recently demonstrated immense powers in text and image generation. This success is driven by the ability to capture long-range correlations between elements in a sequence. The same feature…

Quantum Physics · Physics 2024-03-19 Kyle Sprague , Stefanie Czischek

We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…

Statistical Mechanics · Physics 2020-08-05 Lalit Gupta , Tameem Albash , Itay Hen