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Neural quantum states (NQS) attract a lot of attention due to their potential to serve as a very expressive variational ansatz for quantum many-body systems. Here we study the main factors governing the applicability of NQS to frustrated…

Disordered Systems and Neural Networks · Physics 2020-04-06 Tom Westerhout , Nikita Astrakhantsev , Konstantin S. Tikhonov , Mikhail Katsnelson , Andrey A. Bagrov

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

Foundation models are highly versatile neural-network architectures capable of processing different data types, such as text and images, and generalizing across various tasks like classification and generation. Inspired by this success, we…

The computation of excited states in strongly interacting quantum many-body systems is of fundamental importance. Yet, it is notoriously challenging due to the exponential scaling of the Hilbert space dimension with the system size. Here,…

Quantum Physics · Physics 2025-06-11 Yixuan Ma , Chang Liu , Weikang Li , Shun-Yao Zhang , L. -M. Duan , Yukai Wu , Dong-Ling Deng

Numerically simulating spinful, fermionic systems is of great interest from the perspective of condensed matter physics. However, the exponential growth of the Hilbert space dimension with system size renders an exact parameterization of…

Strongly Correlated Electrons · Physics 2025-09-10 Hannah Lange , Fabian Döschl , Juan Carrasquilla , Annabelle Bohrdt

Neural-network quantum states (NQSs), variationally optimized by combining traditional methods and deep learning techniques, is a new way to find quantum many-body ground states and gradually becomes a competitor of traditional variational…

Strongly Correlated Electrons · Physics 2024-06-19 Jia-Qi Wang , Rong-Qiang He , Zhong-Yi Lu

One of the main challenges of quantum many-body physics is that the dimensionality of the Hilbert space grows exponentially with the system size, which makes it extremely difficult to solve the Schr\"{o}dinger equations of the system. But…

Quantum Physics · Physics 2019-03-29 Zhih-Ahn Jia , Biao Yi , Rui Zhai , Yu-Chun Wu , Guang-Can Guo , Guo-Ping Guo

Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability…

Strongly Correlated Electrons · Physics 2021-09-15 Andrey A. Bagrov , Askar A. Iliasov , Tom Westerhout

The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape,…

Quantum Physics · Physics 2023-12-06 Eimantas Ledinauskas , Egidijus Anisimovas

Neural quantum states (NQS) provide a flexible and highly expressive parameterization of wave functions for strongly correlated problems in quantum chemistry. Despite rapid advances in network architectures, the evaluation of electronic…

Chemical Physics · Physics 2026-02-16 Marco Julian Solanki , Lexin Ding , Markus Reiher

Quantum many-body systems pose a formidable computational challenge due to the exponential growth of their Hilbert space. While machine learning (ML) has shown promise as an alternative paradigm, most applications remain at the…

Disordered Systems and Neural Networks · Physics 2026-02-03 Yilun Gao , Alberto Rodríguez , Rudolf A. Römer

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be…

Disordered Systems and Neural Networks · Physics 2024-02-07 Matěj Mezera , Jana Menšíková , Pavel Baláž , Martin Žonda

Preparing quantum many-body states on classical or quantum devices is a very challenging task that requires accounting for exponentially large Hilbert spaces. Although this complexity can be managed with exponential ans\"atze (such as in…

Quantum Physics · Physics 2024-11-13 Weillei Zeng , Jiaji Zhang , Lipeng Chen , Carlos L. Benavides-Riveros

The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…

Quantum Physics · Physics 2026-05-12 Kunal Vyas , Fengping Jin , Hans De Raedt , Kristel Michielsen

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

Accurate simulations of the Hubbard model are crucial to understanding strongly correlated phenomena, where small energy differences between competing orders demand high numerical precision. In this work, Neural Quantum States are used to…

Strongly Correlated Electrons · Physics 2025-10-14 Louis Sharma , Ahmedeo Shokry , Rajah Nutakki , Olivier Simard , Michel Ferrero , Filippo Vicentini

Inspired by the advancements in large language models based on transformers, we introduce the transformer quantum state (TQS): a versatile machine learning model for quantum many-body problems. In sharp contrast to Hamiltonian/task specific…

Quantum Physics · Physics 2023-03-08 Yuan-Hang Zhang , Massimiliano Di Ventra

We present a deterministic optimization framework for Neural Network Quantum States (NQS) designed to bypass the sampling variance and slow mixing issues inherent in stochastic optimization. By projecting a neural backflow ansatz onto…

Chemical Physics · Physics 2026-05-12 Zheng Che

Quantum gas systems are ideal analog quantum simulation platforms for tackling some of the most challenging problems in strongly correlated quantum matter. However, they also expose the urgent need for new theoretical frameworks. Simple…

Quantum Gases · Physics 2022-12-29 K. Çeven , M. Ö. Oktel , A. Keleş

Neural-network quantum states (NQS) have become a powerful tool in many-body physics. Of the numerous possible architectures in which neural-networks can encode amplitudes of quantum states the simplicity of the Restricted Boltzmann Machine…

Quantum Physics · Physics 2021-09-15 Michael Y. Pei , Stephen R. Clark