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Neural network quantum states (NQS) have been widely applied to spin-1/2 systems where they have proven to be highly effective. The application to systems with larger on-site dimension, such as spin-1 or bosonic systems, has been explored…

Quantum Physics · Physics 2021-07-22 Michael Y. Pei , Stephen R. Clark

The restricted Boltzmann machine (RBM) has been successfully applied to solve the many-electron Schr$\ddot{\text{o}}$dinger equation. In this work we propose a single-layer fully connected neural network adapted from RBM and apply it to…

Quantum Physics · Physics 2023-01-11 Yangjun Wu , Xiansong Xu , Dario Poletti , Yi Fan , Chu Guo , Honghui Shang

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

Neural quantum states (NQS) are a promising approach to study many-body quantum physics. However, they face a major challenge when applied to lattice models: Convolutional networks struggle to converge to ground states with a nontrivial…

Strongly Correlated Electrons · Physics 2020-07-31 Attila Szabó , Claudio Castelnovo

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…

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

Neural quantum states (NQS) have emerged as powerful tools for simulating many-body quantum systems, but their practical use is often hindered by limitations of current sampling techniques. Markov chain Monte Carlo (MCMC) methods suffer…

Quantum Physics · Physics 2025-11-06 Eimantas Ledinauskas , Egidijus Anisimovas

Simulating strongly correlated fermionic systems remains a fundamental challenge in quantum physics, largely due to the sign problem in quantum Monte Carlo (QMC) methods. We present a neural network-based variational Monte Carlo (NN-VMC)…

Computational Physics · Physics 2025-09-09 William Freitas , B. Abreu , S. A. Vitiello

Due to the exponential growth of the Hilbert space dimension with system size, the simulation of quantum many-body systems has remained a persistent challenge until today. Here, we review a relatively new class of variational states for the…

Disordered Systems and Neural Networks · Physics 2024-07-29 Hannah Lange , Anka Van de Walle , Atiye Abedinnia , Annabelle Bohrdt

Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the…

Quantum Physics · Physics 2024-05-22 Michael Kölle , Timo Witter , Tobias Rohe , Gerhard Stenzel , Philipp Altmann , Thomas Gabor

Neural Quantum States (NQS) have demonstrated significant potential in approximating ground states of many-body quantum systems, though their performance can be inconsistent across different models. This study investigates the performance…

Quantum Physics · Physics 2025-01-15 Eimantas Ledinauskas , Egidijus Anisimovas

Neural quantum state (NQS) ans\"atze have shown promise in variational Monte Carlo algorithms by their theoretical capability of representing any quantum state. However, the reason behind the practical improvement in their performance with…

Quantum Physics · Physics 2025-03-11 Sidhartha Dash , Luca Gravina , Filippo Vicentini , Michel Ferrero , Antoine Georges

Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…

Chemical Physics · Physics 2022-08-12 Tianchen Zhao , James Stokes , Shravan Veerapaneni

The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Bo Peng , Nicholas P. Bauman , Karol Kowalski , Travis S. Humble

Quantum state preparation involves preparing a target state from an initial system, a process integral to applications such as quantum machine learning and solving systems of linear equations. Recently, there has been a growing interest in…

Quantum Physics · Physics 2024-05-08 Shuwen Kan , Miguel Palma , Zefan Du , Samuel A Stein , Chenxu Liu , Juntao Chen , Ang Li , Ying Mao

Computing the ground state of interacting quantum matter is a long-standing challenge, especially for complex two-dimensional systems. Recent developments have highlighted the potential of neural quantum states to solve the quantum…

Disordered Systems and Neural Networks · Physics 2025-07-03 Ao Chen , Markus Heyl

We report variational and diffusion quantum Monte Carlo (VMC and DMC) studies of the binding curve of the ground-state chromium dimer. We employed various single determinant (SD) or multi-determinant (MD) wavefunctions multiplied by a…

Chemical Physics · Physics 2012-04-06 Kenta Hongo , Ryo Maezono

Accurately simulating extended periodic systems is a central challenge in condensed matter physics. Neural quantum states (NQS) offer expressive wavefunctions for this task but face issues with scalability. In this work, we successfully…

Strongly Correlated Electrons · Physics 2026-03-17 An-Jun Liu , Bryan K. Clark

Neural quantum states are a new family of variational ans\"atze for quantum-many body wave functions with advantageous properties in the notoriously challenging case of two spatial dimensions. Since their introduction a wide variety of…

Strongly Correlated Electrons · Physics 2023-05-24 Moritz Reh , Markus Schmitt , Martin Gärttner

The field of neural quantum states has recently experienced a tremendous progress, making them a competitive tool of computational quantum many-body physics. However, their largest achievements to date mostly concern interacting spin…

Quantum Physics · Physics 2024-08-15 Aleksei Malyshev , Markus Schmitt , A. I. Lvovsky