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量子退火增强马尔可夫链蒙特卡罗方法

Quantum annealing enhanced Markov-Chain Monte Carlo.

作者信息

Arai Shunta, Kadowaki Tadashi

机构信息

Institute of Science Tokyo, Ookayama, 152-8550, Tokyo, Japan.

Global R&D Center for Business by Quantum-AI Technology, National Institute of Advanced Industrial Science and Technology, Ibaraki, Japan.

出版信息

Sci Rep. 2025 Jul 1;15(1):21427. doi: 10.1038/s41598-025-07293-y.

DOI:10.1038/s41598-025-07293-y
PMID:40594498
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12219641/
Abstract

In this study, we propose quantum annealing-enhanced Markov Chain Monte Carlo (QAEMCMC), where QA is integrated into the MCMC subroutine. QA efficiently explores low-energy configurations and overcomes local minima, enabling the generation of proposal states with a high acceptance probability. We benchmark QAEMCMC for the Sherrington-Kirkpatrick model and demonstrate its superior performance over the classical MCMC method. Our results reveal larger spectral gaps, faster convergence of energy observables, and reduced total variation distance between the empirical and target distributions. QAEMCMC accelerates MCMC and provides an efficient method for complex systems, paving the way for scalable quantum-assisted sampling strategies.

摘要

在本研究中,我们提出了量子退火增强的马尔可夫链蒙特卡罗方法(QAEMCMC),即将量子退火(QA)集成到马尔可夫链蒙特卡罗(MCMC)子例程中。量子退火能够有效地探索低能量构型并克服局部最小值,从而能够生成具有高接受概率的提议状态。我们对Sherrington-Kirkpatrick模型的QAEMCMC进行了基准测试,并证明了它相对于经典MCMC方法的优越性能。我们的结果显示出更大的谱隙、能量可观测量更快的收敛速度以及经验分布与目标分布之间总变差距离的减小。QAEMCMC加速了MCMC,并为复杂系统提供了一种有效的方法,为可扩展的量子辅助采样策略铺平了道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/754ea0d5f8e8/41598_2025_7293_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/87d1a787a437/41598_2025_7293_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/5df2640a96d7/41598_2025_7293_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/8af8d50bebdb/41598_2025_7293_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/f801b905460d/41598_2025_7293_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/9a13d2802b93/41598_2025_7293_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/754ea0d5f8e8/41598_2025_7293_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/87d1a787a437/41598_2025_7293_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/5df2640a96d7/41598_2025_7293_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/8af8d50bebdb/41598_2025_7293_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/f801b905460d/41598_2025_7293_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/9a13d2802b93/41598_2025_7293_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d69/12219641/754ea0d5f8e8/41598_2025_7293_Fig6_HTML.jpg

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Quantum computing for chemistry and physics applications from a Monte Carlo perspective.从蒙特卡罗视角看化学与物理应用中的量子计算。
J Chem Phys. 2024 Jan 7;160(1). doi: 10.1063/5.0173591.
3
Quantum-enhanced Markov chain Monte Carlo.量子增强马尔可夫链蒙特卡罗方法。
Nature. 2023 Jul;619(7969):282-287. doi: 10.1038/s41586-023-06095-4. Epub 2023 Jul 12.
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Quantum critical dynamics in a 5,000-qubit programmable spin glass.5000 量子比特可编程自旋玻璃中的量子临界动力学。
Nature. 2023 May;617(7959):61-66. doi: 10.1038/s41586-023-05867-2. Epub 2023 Apr 19.
5
Analysis of autocorrelation times in neural Markov chain Monte Carlo simulations.分析神经马尔可夫链蒙特卡罗模拟中的自相关时间。
Phys Rev E. 2023 Jan;107(1-2):015303. doi: 10.1103/PhysRevE.107.015303.
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Sampling rare conformational transitions with a quantum computer.使用量子计算机采样罕见的构象转变。
Sci Rep. 2022 Sep 29;12(1):16336. doi: 10.1038/s41598-022-20032-x.
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Rep Prog Phys. 2022 Sep 21;85(10). doi: 10.1088/1361-6633/ac8c54.
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