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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…

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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

量子物理 · 物理学 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,…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

化学物理 · 物理学 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…

分布式、并行与集群计算 · 计算机科学 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…

无序系统与神经网络 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

量子物理 · 物理学 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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 2026-03-18 Lance H. Carter