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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

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

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

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 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

Characterization of quantum objects, being them states, processes, or measurements, complemented by previous knowledge about them is a valuable approach, especially as it leads to routine procedures for real-life components. To this end,…

Quantum Physics · Physics 2023-06-28 Massimiliano Guarneri , Ilaria Gianani , Marco Barbieri , Andrea Chiuri

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

A naive classical representation of an n-qubit state requires specifying exponentially many amplitudes in the computational basis. Past works have demonstrated that classical neural networks can succinctly express these amplitudes for many…

Quantum Physics · Physics 2024-10-31 Tai-Hsuan Yang , Mehdi Soleimanifar , Thiago Bergamaschi , John Preskill

Neural Quantum States (NQS) are a class of variational wave functions parametrized by neural networks (NNs) to study quantum many-body systems. In this work, we propose \texttt{SineKAN}, a NQS \textit{ansatz} based on Kolmogorov-Arnold…

Neural-Network Quantum States have been recently introduced as an Ansatz for describing the wave function of quantum many-body systems. We show that there are strong connections between Neural-Network Quantum States in the form of…

Quantum Physics · Physics 2018-03-08 Ivan Glasser , Nicola Pancotti , Moritz August , Ivan D. Rodriguez , J. Ignacio Cirac

Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…

Chemical Physics · Physics 2025-12-29 Bizi Huang , Weizhong Fu , Ji Chen

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

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

In this work we apply deep neural networks to find the non-equilibrium steady state solution to correlated open quantum many-body systems. Motivated by the ongoing search to find more powerful representations of (mixed) quantum states, we…

Quantum Physics · Physics 2025-01-13 Johannes Mellak , Enrico Arrigoni , Wolfgang von der Linden

Restricted Boltzmann machines (RBMs) are a class of neural networks that have been successfully employed as a variational ansatz for quantum many-body wave functions. Here, we develop an analytic method to study quantum many-body spin…

Quantum Physics · Physics 2022-10-06 Xiao-Qi Sun , Tamra Nebabu , Xizhi Han , Michael O. Flynn , Xiao-Liang Qi

Simulating quantum algorithms with classical resources generally requires exponential resources. However, heuristic classical approaches are often very efficient in approximately simulating special circuit structures, for example with…

Quantum Physics · Physics 2018-08-17 Bjarni Jónsson , Bela Bauer , Giuseppe Carleo

Neural networks have achieved impressive breakthroughs in both industry and academia. How to effectively develop neural networks on quantum computing devices is a challenging open problem. Here, we propose a new quantum neural network model…

Quantum Physics · Physics 2023-05-16 Min-Gang Zhou , Zhi-Ping Liu , Hua-Lei Yin , Chen-Long Li , Tong-Kai Xu , Zeng-Bing Chen

We investigate the potential of supervised machine learning to propagate a quantum system in time. While Markovian dynamics can be learned easily, given a sufficient amount of data, non-Markovian systems are non-trivial and their…

Quantum Physics · Physics 2022-07-13 James Nelson , Luuk Coopmans , Graham Kells , Stefano Sanvito

The identification and modeling of time-varying systems is a fundamental challenge in signal processing and system identification. To address this challenge, we propose a class of time-varying state-space model (SSM) based neural networks…

Machine Learning · Computer Science 2026-05-18 Sanja Karilanova , Subhrakanti Dey , Ayça Özçelikkale

Standard quantum mechanics relies on two distinct dynamical principles: unitary evolution and collapse. A mathematically self-contained variational framework is presented that replaces this dualism with a single principle, in which…

Quantum Physics · Physics 2026-03-18 Lance H. Carter