Addressing general measurements in quantum Monte Carlo

Fuente: arXiv
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Main Authors: Wang, Zhiyan, Liu, Zenan, Mao, Bin-Bin, Wang, Zhe, Yan, Zheng
Format: Preprint
Published: 2024
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author Wang, Zhiyan
Liu, Zenan
Mao, Bin-Bin
Wang, Zhe
Yan, Zheng
author_facet Wang, Zhiyan
Liu, Zenan
Mao, Bin-Bin
Wang, Zhe
Yan, Zheng
contents Quantum Monte Carlo is one of the most promising approaches for dealing with large-scale quantum many-body systems. It has played an extremely important role in understanding strongly correlated physics. However, two fundamental problems, namely the sign problem and general measurement issues, have seriously hampered its scope of application. We propose a universal scheme to tackle the problems of general measurement. The target observables are expressed as the ratio of two types of partition functions $\langle \mathrm{O} \rangle=\bar{Z}/Z$, where $\bar{Z}=\mathrm{tr} (\mathrm{Oe^{-βH}})$ and $Z=\mathrm{tr} (\mathrm{e^{-βH}})$. These two partition functions can be estimated separately within the reweight-annealing frame, and then be connected by an easily solvable reference point. We have successfully applied this scheme to XXZ model and transverse field Ising model, from 1D to 2D systems, from two-body to multi-body correlations and even non-local disorder operators, and from equal-time to imaginary-time correlations. The reweighting path is not limited to physical parameters, but also works for space and time. Essentially, this scheme solves the long-standing problem of calculating the overlap between different distribution functions in mathematical statistics, which can be widely used in statistical problems, such as quantum many-body computation, big data and machine learning.
format Preprint
id arxiv_https___arxiv_org_abs_2412_01384
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Addressing general measurements in quantum Monte Carlo
Wang, Zhiyan
Liu, Zenan
Mao, Bin-Bin
Wang, Zhe
Yan, Zheng
Strongly Correlated Electrons
Statistical Mechanics
Computational Physics
Quantum Physics
Quantum Monte Carlo is one of the most promising approaches for dealing with large-scale quantum many-body systems. It has played an extremely important role in understanding strongly correlated physics. However, two fundamental problems, namely the sign problem and general measurement issues, have seriously hampered its scope of application. We propose a universal scheme to tackle the problems of general measurement. The target observables are expressed as the ratio of two types of partition functions $\langle \mathrm{O} \rangle=\bar{Z}/Z$, where $\bar{Z}=\mathrm{tr} (\mathrm{Oe^{-βH}})$ and $Z=\mathrm{tr} (\mathrm{e^{-βH}})$. These two partition functions can be estimated separately within the reweight-annealing frame, and then be connected by an easily solvable reference point. We have successfully applied this scheme to XXZ model and transverse field Ising model, from 1D to 2D systems, from two-body to multi-body correlations and even non-local disorder operators, and from equal-time to imaginary-time correlations. The reweighting path is not limited to physical parameters, but also works for space and time. Essentially, this scheme solves the long-standing problem of calculating the overlap between different distribution functions in mathematical statistics, which can be widely used in statistical problems, such as quantum many-body computation, big data and machine learning.
title Addressing general measurements in quantum Monte Carlo
topic Strongly Correlated Electrons
Statistical Mechanics
Computational Physics
Quantum Physics
url https://arxiv.org/abs/2412.01384