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It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of…

Due to the strong correlations present in quantum systems, classical machine learning algorithms like stochastic gradient descent are often insufficient for the training of neural network quantum states (NQSs). These difficulties can be…

Quantum Physics · Physics 2021-04-23 J. Thorben Frank , Michael J. Kastoryano

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

Quantum computing has become increasingly practical in solving real-world problems due to advances in hardware and algorithms. In this paper, we aim to design and estimate quantum machine learning and hybrid quantum-classical models in a…

Quantum Physics · Physics 2025-07-14 Leyang Wang , Yilun Gong , Zongrui Pei

As neural networks are known to efficiently represent classes of tensor-network states as well as volume-law-entangled states, identifying which properties determine the representational capabilities of neural quantum states (NQS) remains…

Nuclear Theory · Physics 2026-03-31 James W. T. Keeble , Alessandro Lovato , Caroline E. P. Robin

Programmable quantum simulators based on Rydberg atom arrays are a fast-emerging quantum platform, bringing together long coherence times, high-fidelity operations, and large numbers of interacting qubits deterministically arranged in…

Neural quantum states are a promising framework for simulating many-body quantum dynamics, as they can represent states with volume-law entanglement. As time evolves, the neural network parameters are typically optimized at discrete time…

Quantum Physics · Physics 2026-02-04 Dingzu Wang , Wenxuan Zhang , Xiansong Xu , Dario Poletti

Machine learning has emerged as a promising approach to study the properties of many-body systems. Recently proposed as a tool to classify phases of matter, the approach relies on classical simulation methods$-$such as Monte Carlo$-$which…

Quantum Physics · Physics 2020-07-17 Alexey Uvarov , Andrey Kardashin , Jacob Biamonte

We perform a comprehensive analysis of the quantum-enhanced Monte Carlo method [Nature, 619, 282-287 (2023)], aimed at identifying the optimal working point of the algorithm. We observe an optimal mixing Hamiltonian strength and analyze the…

Quantum Physics · Physics 2025-07-01 Johannes Christmann , Petr Ivashkov , Mattia Chiurco , Guglielmo Mazzola

Quantum computing is a promising way to systematically solve the longstanding computational problem, the ground state of a many-body fermion system. Many efforts have been made to realise certain forms of quantum advantage in this problem,…

Quantum Physics · Physics 2023-08-09 Xiaosi Xu , Ying Li

Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…

Variational Monte Carlo with neural network quantum states has proven to be a promising avenue for evaluating the ground state energy of spin Hamiltonians. However, despite continuous efforts the performance of the method on frustrated…

Quantum Physics · Physics 2022-11-04 Chae-Yeun Park , Michael J. Kastoryano

Neural quantum states (NQS) are powerful ans\"atze in the variational Monte Carlo framework, yet their architectures are often treated as black boxes. We propose a physically transparent framework in which NQS are treated as neural…

Disordered Systems and Neural Networks · Physics 2026-02-04 Kimihiro Yamazaki , Itsushi Sakata , Takuya Konishi , Yoshinobu Kawahara

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

The classical simulation of quantum systems typically requires exponential resources. Recently, the introduction of a machine learning-based wavefunction ansatz has led to the ability to solve the quantum many-body problem in regimes that…

Disordered Systems and Neural Networks · Physics 2019-10-24 Joseph Gomes , Keri A. McKiernan , Peter Eastman , Vijay S. Pande

Modern day quantum simulators can prepare a wide variety of quantum states but the accurate estimation of observables from tomographic measurement data often poses a challenge. We tackle this problem by developing a quantum state tomography…

Quantum Physics · Physics 2022-09-27 Tobias Schmale , Moritz Reh , Martin Gärttner

Low bit-width integer weights and activations are very important for efficient inference, especially with respect to lower power consumption. We propose Monte Carlo methods to quantize the weights and activations of pre-trained neural…

Machine Learning · Computer Science 2020-01-08 Gonçalo Mordido , Matthijs Van Keirsbilck , Alexander Keller

Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schr\"odinger equation stochastically. As compared to traditional quantum chemistry methods, they offer important advantages such as the ability to…

Chemical Physics · Physics 2020-02-11 Jonas Feldt , Claudia Filippi

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the restricted Boltzmann machine (RBM) has been adapted to model…

Quantum Physics · Physics 2019-12-09 Chang-yu Hsieh , Qiming Sun , Shengyu Zhang , Chee Kong Lee
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