Optimal statistical ensembles for quantum thermal state preparation within the quantum singular value transformation framework

Fuente: arXiv
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Main Author: Yoneta, Yasushi
Format: Preprint
Published: 2025
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author Yoneta, Yasushi
author_facet Yoneta, Yasushi
contents Preparing thermal equilibrium states is an essential task for finite-temperature quantum simulations. In statistical mechanics, microstates in thermal equilibrium can be obtained from statistical ensembles. To date, numerous ensembles have been devised, ranging from Gibbs ensembles such as the canonical and microcanonical ensembles to a variety of generalized ensembles. Since these ensembles yield equivalent thermodynamic predictions, one can freely choose an ensemble for computational convenience. In this paper, we exploit this flexibility to develop an efficient quantum algorithm for preparing thermal equilibrium states. We first present a quantum algorithm for implementing generalized ensembles within the framework of quantum singular value transformation. We then perform a detailed analysis of the computational cost and elucidate its dependence on the choice of the ensemble. Our analysis shows that employing an appropriate ensemble can significantly mitigate ensemble-dependent overhead and yield improved scaling of the computational cost with system size compared to existing methods based on the canonical ensemble. We also numerically demonstrate that our approach achieves a significant reduction in the computational cost even for small finite-size systems. Our algorithm applies to arbitrary thermodynamic systems at any temperature and is thus expected to offer a practical and versatile method for computing finite-temperature properties of quantum many-body systems. These results highlight the potential of ensemble design as a powerful tool for enhancing the efficiency of a broad class of quantum algorithms.
format Preprint
id arxiv_https___arxiv_org_abs_2505_06216
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Optimal statistical ensembles for quantum thermal state preparation within the quantum singular value transformation framework
Yoneta, Yasushi
Quantum Physics
Statistical Mechanics
Preparing thermal equilibrium states is an essential task for finite-temperature quantum simulations. In statistical mechanics, microstates in thermal equilibrium can be obtained from statistical ensembles. To date, numerous ensembles have been devised, ranging from Gibbs ensembles such as the canonical and microcanonical ensembles to a variety of generalized ensembles. Since these ensembles yield equivalent thermodynamic predictions, one can freely choose an ensemble for computational convenience. In this paper, we exploit this flexibility to develop an efficient quantum algorithm for preparing thermal equilibrium states. We first present a quantum algorithm for implementing generalized ensembles within the framework of quantum singular value transformation. We then perform a detailed analysis of the computational cost and elucidate its dependence on the choice of the ensemble. Our analysis shows that employing an appropriate ensemble can significantly mitigate ensemble-dependent overhead and yield improved scaling of the computational cost with system size compared to existing methods based on the canonical ensemble. We also numerically demonstrate that our approach achieves a significant reduction in the computational cost even for small finite-size systems. Our algorithm applies to arbitrary thermodynamic systems at any temperature and is thus expected to offer a practical and versatile method for computing finite-temperature properties of quantum many-body systems. These results highlight the potential of ensemble design as a powerful tool for enhancing the efficiency of a broad class of quantum algorithms.
title Optimal statistical ensembles for quantum thermal state preparation within the quantum singular value transformation framework
topic Quantum Physics
Statistical Mechanics
url https://arxiv.org/abs/2505.06216