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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

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

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…

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,…

量子物理 · 物理学 2023-12-06 Eimantas Ledinauskas , Egidijus Anisimovas

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…

强关联电子 · 物理学 2021-09-15 Andrey A. Bagrov , Askar A. Iliasov , Tom Westerhout

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

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

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

We consider the Feynman-Kitaev formalism applied to a spin chain described by the transverse field Ising model. This formalism consists of building a Hamiltonian whose ground state encodes the time evolution of the spin chain at discrete…

量子物理 · 物理学 2024-06-26 Vladimir Vargas-Calderón , Herbert Vinck-Posada , Fabio A. González

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 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 Quantum States (NQS) have demonstrated significant potential in approximating ground states of many-body quantum systems, though their performance can be inconsistent across different models. This study investigates the performance…

量子物理 · 物理学 2025-01-15 Eimantas Ledinauskas , Egidijus Anisimovas

We present a deterministic optimization framework for Neural Network Quantum States (NQS) designed to bypass the sampling variance and slow mixing issues inherent in stochastic optimization. By projecting a neural backflow ansatz onto…

化学物理 · 物理学 2026-05-12 Zheng Che

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…

量子物理 · 物理学 2021-11-29 Robert Klassert , Andreas Baumbach , Mihai A. Petrovici , Martin Gärttner

We introduce an architecture for neural quantum states for many-body quantum-mechanical systems, based on normalizing flows. The use of normalizing flows enables efficient uncorrelated sampling of configurations from the probability…

量子物理 · 物理学 2024-06-05 Scott Lawrence , Arlee Shelby , Yukari Yamauchi

Neural Quantum States (NQS) are powerful tools used to represent complex quantum many-body states in an increasingly wide range of applications. However, despite their popularity, at present only a rudimentary understanding of their…

Sampling from high-dimensional and structured probability distributions is a fundamental challenge in computational physics, particularly in the context of lattice field theory (LFT), where generating field configurations efficiently is…

量子物理 · 物理学 2026-02-10 Jehu Martinez , Andrea Delgado

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be…

无序系统与神经网络 · 物理学 2024-02-07 Matěj Mezera , Jana Menšíková , Pavel Baláž , Martin Žonda

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…

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
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