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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

Recent progress in the design and optimization of neural-network quantum states (NQSs) has made them an effective method to investigate ground-state properties of quantum many-body systems. In contrast to the standard approach of training a…

Disordered Systems and Neural Networks · Physics 2024-12-18 Riccardo Rende , Sebastian Goldt , Federico Becca , Luciano Loris Viteritti

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

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

Neural-network quantum states have emerged as a powerful variational framework for quantum many-body systems, with recent progress often driven by massively parallel architectures such as transformers. Recurrent neural network quantum…

Strongly Correlated Electrons · Physics 2026-05-14 Ejaaz Merali , Mohamed Hibat-Allah , Mohammad Kohandel , Richard T. Scalettar , Ehsan Khatami

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

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

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

Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…

Disordered Systems and Neural Networks · Physics 2025-03-26 Hannah Lange , Guillaume Bornet , Gabriel Emperauger , Cheng Chen , Thierry Lahaye , Stefan Kienle , Antoine Browaeys , Annabelle Bohrdt

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

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…

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…

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) 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

Neural network quantum states (NQS) have emerged as a powerful and flexible framework for addressing quantum many-body problems. While successful for model Hamiltonians, their application to molecular systems remains challenging for several…

Chemical Physics · Physics 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

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 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-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

Time series prediction is essential for human activities in diverse areas. A common approach to this task is to harness Recurrent Neural Networks (RNNs). However, while their predictions are quite accurate, their learning process is complex…

Quantum Physics · Physics 2025-05-30 Michał Siemaszko , Adam Buraczewski , Bertrand Le Saux , Magdalena Stobińska

We present proof-of-principle time-dependent neural quantum state (NQS) simulations to illustrate the ability of this approach to effectively capture key aspects of quantum dynamics in the continuum. NQS leverage the parameterization of the…

Quantum Physics · Physics 2025-09-30 Alejandro Romero-Ros , Javier Rozalén Sarmiento , Arnau Rios
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