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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

We introduce an efficient approach to implement neural network quantum states (NNQS) as trial wavefunctions in auxiliary-field quantum Monte Carlo (AFQMC). NNQS are a recently developed class of variational ans\"atze capable of flexibly…

Chemical Physics · Physics 2025-10-07 Zhi-Yu Xiao , Bowen Kan , Huan Ma , Bowen Zhao , Honghui Shang

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

Understanding the dynamical response of quantum materials is central to revealing their microscopic properties, yet access to long-time and large-scale dynamics remains severely limited by rapidly growing computational costs and…

Strongly Correlated Electrons · Physics 2025-12-16 Hubert Pugzlys , Shreyas Varude , Sam Dillon , Huy Tran , Ta Tang , Zhe Jiang , Xuzhe Ying , Chunjing Jia

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 (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

Neural Network Quantum States (NQS) represent quantum wavefunctions by artificial neural networks. Here we study the wavefunction access provided by NQS defined in [Science, \textbf{355}, 6325, pp. 602-606 (2017)] and relate it to results…

Quantum Physics · Physics 2023-03-08 Vojtech Havlicek

In this work, we use neural quantum states (NQS) to describe the high-dimensional wave functions of electron-phonon coupled systems. We demonstrate that NQS can accurately and systematically learn the underlying physics of such problems…

Strongly Correlated Electrons · Physics 2025-01-30 Ankit Mahajan , Paul J. Robinson , Joonho Lee , David R. Reichman

The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the non-trivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that…

Disordered Systems and Neural Networks · Physics 2017-02-13 Giuseppe Carleo , Matthias Troyer

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

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

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

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

Recent advances in neural network quantum states (NQS) have enabled high-accuracy predictions for complex quantum many-body systems such as strongly correlated electron systems. However, the computational cost remains prohibitive, making…

Strongly Correlated Electrons · Physics 2025-05-02 Kimihiro Yamazaki , Takuya Konishi , Yoshinobu Kawahara

Motivated by recent progress in applying techniques from the field of artificial neural networks (ANNs) to quantum many-body physics, we investigate as to what extent the flexibility of ANNs can be used to efficiently study systems that…

Strongly Correlated Electrons · Physics 2018-05-22 Raphael Kaubruegger , Lorenzo Pastori , Jan Carl Budich

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

A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods on classical computers. We present here a quantum algorithm…

Generative Autoregressive Neural Networks (ARNNs) have recently demonstrated exceptional results in image and language generation tasks, contributing to the growing popularity of generative models in both scientific and commercial…

Disordered Systems and Neural Networks · Physics 2024-03-26 Indaco Biazzo

Simulating quantum many-body dynamics on classical computers is a challenging problem due to the exponential growth of the Hilbert space. Artificial neural networks have recently been introduced as a new tool to approximate quantum-many…

Disordered Systems and Neural Networks · Physics 2022-05-25 Sheng-Hsuan Lin , Frank Pollmann

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