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Neural-network quantum states (NQS) are powerful neural-network ans\"atzes that have emerged as promising tools for studying quantum many-body physics through the lens of the variational principle. These architectures are known to be…

Disordered Systems and Neural Networks · Physics 2025-07-28 Jake McNaughton , Mohamed Hibat-Allah

Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ans\"atze for simulating physical systems. Energy-based frameworks, like Hopfield networks and Restricted Boltzmann Machines,…

Quantum Physics · Physics 2024-12-18 Manas Sajjan , Vinit Singh , Sabre Kais

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

Quantum many-body problems are some of the most challenging problems in science and are central to demystifying some exotic quantum phenomena, e.g., high-temperature superconductors. The combination of neural networks (NN) for representing…

Quantum Physics · Physics 2022-12-23 Or Sharir , Garnet Kin-Lic Chan , Anima Anandkumar

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 quantum many-body problems is one of the fundamental challenges in quantum chemistry. While neural network quantum states (NQS) have emerged as a promising computational tool, its training process incurs exponentially growing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-01 Hongtao Xu , Zibo Wu , Mingzhen Li , Weile Jia

Artificial Neural Networks were recently shown to be an efficient representation of highly-entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in Variational Monte Carlo, most…

Disordered Systems and Neural Networks · Physics 2020-01-22 Or Sharir , Yoav Levine , Noam Wies , Giuseppe Carleo , Amnon Shashua

Neural quantum states have established themselves as a powerful and versatile family of ansatzes for variational Monte Carlo simulations of quantum many-body systems. Of particular prominence are autoregressive neural quantum states (ANQS),…

Quantum Physics · Physics 2023-10-09 Aleksei Malyshev , Juan Miguel Arrazola , A. I. Lvovsky

Neural quantum states (NQS) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly-correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the…

In recent years, neural network quantum states (NNQS) have emerged as powerful tools for the study of quantum many-body systems. Electronic structure calculations are one such canonical many-body problem that have attracted significant…

Chemical Physics · Physics 2022-01-27 Thomas D. Barrett , Aleksei Malyshev , A. I. Lvovsky

In this note, variational Monte Carlo method based on neural quantum states for spin systems is reviewed. Using a neural network as the wave function allows for a more generalized expression of various types of interactions, including…

Strongly Correlated Electrons · Physics 2024-06-04 Yuntai Song

Neural-network quantum states (NQS) has emerged as a powerful application of quantum-inspired deep learning for variational Monte Carlo methods, offering a competitive alternative to existing techniques for identifying ground states of…

Machine Learning · Computer Science 2024-11-07 Oliver Knitter , Dan Zhao , James Stokes , Martin Ganahl , Stefan Leichenauer , Shravan Veerapaneni

We investigate the use of variational wave-functions that mimic stochastic recurrent neural networks, specifically, unrestricted Boltzmann machines, as guiding functions in projective quantum Monte Carlo (PQMC) simulations of quantum spin…

Statistical Mechanics · Physics 2018-12-27 E. M. Inack , G. E. Santoro , L. Dell'Anna , S. Pilati

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

Modeling quantum many-body systems is enormously challenging due to the exponential scaling of Hilbert dimension with system size. Finding efficient compressions of the wavefunction is key to building scalable models. Here, we introduce…

Computational Physics · Physics 2020-03-16 Christopher Roth

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

Recent research has demonstrated the usefulness of neural networks as variational ansatz functions for quantum many-body states. However, high-dimensional sampling spaces and transient autocorrelations confront these approaches with a…

Quantum Physics · Physics 2021-11-29 Robert Klassert , Andreas Baumbach , Mihai A. Petrovici , Martin Gärttner

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 Quantum States (NQS) are now among the most accurate methods for studying strongly correlated many-fermion systems, outperforming existing many-body approaches for large systems. However, NQS calculations remain extremely…

Strongly Correlated Electrons · Physics 2026-04-29 Yuntian Gu , Zeyao Han , Wenrui Li , Zhiyu Xiao , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

The introduction of Neural Quantum States (NQS) has recently given a new twist to variational Monte Carlo (VMC). The ability to systematically reduce the bias of the wave function ansatz renders the approach widely applicable. However,…

Computational Physics · Physics 2023-02-08 Markus Schmitt , Moritz Reh
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