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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),…

量子物理 · 物理学 2023-10-09 Aleksei Malyshev , Juan Miguel Arrazola , A. I. Lvovsky

Neural-network quantum states (NQS) are powerful neural-network ans\"atzes that have emerged as promising tools for studying quantum many-body physics through the lens of the variational principle. These architectures are known to be…

无序系统与神经网络 · 物理学 2025-07-28 Jake McNaughton , Mohamed Hibat-Allah

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…

机器学习 · 计算机科学 2024-11-07 Oliver Knitter , Dan Zhao , James Stokes , Martin Ganahl , Stefan Leichenauer , Shravan Veerapaneni

In recent years, neural network quantum states (NNQS) have emerged as powerful tools for the study of quantum many-body systems. Electronic structure calculations are one such canonical many-body problem that have attracted significant…

化学物理 · 物理学 2022-01-27 Thomas D. Barrett , Aleksei Malyshev , A. I. Lvovsky

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…

化学物理 · 物理学 2025-07-28 Zibo Wu , Bohan Zhang , Wei-Hai Fang , Zhendong Li

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…

量子物理 · 物理学 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

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…

强关联电子 · 物理学 2025-09-10 Hannah Lange , Fabian Döschl , Juan Carrasquilla , Annabelle Bohrdt

The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…

强关联电子 · 物理学 2025-07-11 Yuntian Gu , Wenrui Li , Heng Lin , Bo Zhan , Ruichen Li , Yifei Huang , Di He , Yantao Wu , Tao Xiang , Mingpu Qin , Liwei Wang , Dingshun Lv

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…

量子物理 · 物理学 2025-11-06 Eimantas Ledinauskas , Egidijus Anisimovas

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…

强关联电子 · 物理学 2026-05-14 Ejaaz Merali , Mohamed Hibat-Allah , Mohammad Kohandel , Richard T. Scalettar , Ehsan Khatami

Neural quantum states (NQSs) are powerful variational ans\"atze capable of representing highly entangled quantum many-body wavefunctions. While the average entanglement properties of ensembles of restricted Boltzmann machines are well…

量子物理 · 物理学 2026-02-11 Andrew Jreissaty , Hang Zhang , Jairo C. Quijano , Juan Carrasquilla , Roeland Wiersema

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,…

量子物理 · 物理学 2024-12-18 Manas Sajjan , Vinit Singh , Sabre Kais

The ground state of second-quantized quantum chemistry Hamiltonians is key to determining molecular properties. Neural quantum states (NQS) offer flexible and expressive wavefunction ansatze for this task but face two main challenges:…

化学物理 · 物理学 2025-06-18 An-Jun Liu , Bryan K. Clark

Due to their immense representative power, neural network quantum states (NQS) have gained significant interest in current research. In recent advances in the field of NQS, it has been demonstrated that this approach can compete with…

无序系统与神经网络 · 物理学 2024-10-21 Fabian Döschl , Felix A. Palm , Hannah Lange , Fabian Grusdt , Annabelle Bohrdt

Artificial Neural Networks were recently shown to be an efficient representation of highly-entangled many-body quantum states. In practical applications, neural-network states inherit numerical schemes used in Variational Monte Carlo, most…

无序系统与神经网络 · 物理学 2020-01-22 Or Sharir , Yoav Levine , Noam Wies , Giuseppe Carleo , Amnon Shashua

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…

In this work, we introduce the first type of non-Euclidean neural quantum state (NQS) ansatz, in the form of the hyperbolic GRU (a variant of recurrent neural networks (RNNs)), to be used in the Variational Monte Carlo method of…

量子物理 · 物理学 2026-02-26 H. L. Dao

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

Accurate ground-state energy calculations remain a central challenge in quantum chemistry due to the exponential scaling of the many-body Hilbert space. Variational Monte Carlo and variational quantum eigensolvers offer promising ansatz…

量子物理 · 物理学 2026-03-27 Shane Thompson , Daniel Gunlycke

Generative models are a promising technology for the enhancement of quantum simulators. These machine learning methods are capable of reconstructing a quantum state from experimental measurements, and can aid in the calculation of physical…

量子物理 · 物理学 2021-07-07 Stewart Morawetz , Isaac J. S. De Vlugt , Juan Carrasquilla , Roger G. Melko
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