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Probabilistic graphical models have emerged as a powerful modeling tool for several real-world scenarios where one needs to reason under uncertainty. A graphical model's partition function is a central quantity of interest, and its…

Artificial Intelligence · Computer Science 2021-05-25 Durgesh Agrawal , Yash Pote , Kuldeep S Meel

A quantum system coupled to a bath at some fixed, finite temperature converges to its Gibbs state. This thermalization process defines a natural, physically-motivated model of quantum computation. However, whether quantum computational…

Quantum Physics · Physics 2025-01-15 Thiago Bergamaschi , Chi-Fang Chen , Yunchao Liu

We describe an algorithm for using a quantum computer to calculate mean values of observables and the partition function of a quantum system. Our algorithm includes two sub-algorithms. The first sub-algorithm is for calculating, with…

Quantum Physics · Physics 2010-11-10 Robert R. Tucci

The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on…

Quantum Physics · Physics 2022-03-25 Ada Warren , Linghua Zhu , Nicholas J. Mayhall , Edwin Barnes , Sophia E. Economou

The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum computers in the near future may enable us to compute energy…

Quantum Physics · Physics 2020-08-25 Suguru Endo , Iori Kurata , Yuya O. Nakagawa

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

The Gibbs canonical state, as a maximum entropy density matrix, represents a quantum system in equilibrium with a thermostat. This state plays an essential role in thermodynamics and serves as the initial condition for nonequilibrium…

Quantum Physics · Physics 2016-06-22 Denys I. Bondar , Andre G. Campos , Renan Cabrera , Herschel A. Rabitz

We introduce a numerical method to determine the Hamiltonian of Mean Force (HMF) Gibbs state for a quantum system strongly coupled to a reservoir. The method adapts the Time Evolving Matrix Product Operator (TEMPO) algorithm to imaginary…

Quantum Physics · Physics 2022-07-07 Yiu-Fung Chiu , Aidan Strathearn , Jonathan Keeling

Estimating vibrational entropy is a significant challenge in thermodynamics and statistical mechanics due to its reliance on quantum mechanical properties. This paper introduces a quantum algorithm designed to estimate vibrational entropy…

Quantum Physics · Physics 2025-11-25 Shangjie Guo , Corneliu Buda , Nathan Wiebe

Quantum Imaginary-Time Evolution (QITE) is a powerful method for preparing ground states on quantum hardware. However, executing QITE has costly measurement budgets for general Hamiltonians. Both fidelity and computational cost are strongly…

Quantum Physics · Physics 2025-12-12 Julio Del Castillo , Mats Granath , Evert van Nieuwenburg

The preparation of thermal states of matter is a crucial task in quantum simulation. In this work, we prove that a recently introduced, efficiently implementable dissipative evolution thermalizes to the Gibbs state in time scaling…

Quantum Physics · Physics 2026-04-20 Cambyse Rouzé , Daniel Stilck França , Álvaro M. Alhambra

This work presents a novel realization approach to Quantum Boltzmann Machines (QBMs). The preparation of the required Gibbs states, as well as the evaluation of the loss function's analytic gradient is based on Variational Quantum Imaginary…

Quantum Physics · Physics 2021-03-01 Christa Zoufal , Aurélien Lucchi , Stefan Woerner

Gibbs sampling is fundamental to a wide range of computer algorithms. Such algorithms are set to be replaced by physics based processors$-$be it quantum or stochastic annealing devices$-$which embed problem instances and evolve a physical…

Quantum Physics · Physics 2019-06-27 H. Philathong , V. Akshay , I. Zacharov , J. Biamonte

We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…

Quantum Physics · Physics 2009-10-31 Barbara M. Terhal , David P. DiVincenzo

Estimating thermal expectation values of observables is a fundamental task in quantum physics, quantum chemistry, and materials science. While recent quantum algorithms have enabled efficient quantum preparation of thermal states,…

Quantum Physics · Physics 2026-02-16 Jiaqing Jiang , Jiaqi Leng , Lin Lin

A fast implementation of the quantum imaginary time evolution (QITE) algorithm called Fast QITE is proposed. The algorithmic cost of QITE typically scales exponentially with the number of particles it nontrivially acts on in each Trotter…

Quantum Physics · Physics 2020-09-28 Kok Chuan Tan

When partitioning workflows in realistic scenarios, the knowledge of the processing units is often vague or unknown. A naive approach to addressing this issue is to perform many controlled experiments for different workloads, each…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-03 Freddy C. Chua , Bernardo A. Huberman

A central problem in computational statistics is to convert a procedure for sampling combinatorial from an objects into a procedure for counting those objects, and vice versa. Weconsider sampling problems coming from *Gibbs distributions*,…

Probability · Mathematics 2023-08-21 David G. Harris , Vladimir Kolmogorov

We propose a simple estimator that allows to calculate the absolute value of a system's partition function from a finite sampling of its canonical ensemble. The estimator utilizes a volume correction term to compensate the effect that the…

Statistical Mechanics · Physics 2024-09-05 Ying-Chih Chiang , Frank Otto , Jonathan W. Essex

Gibbs states (i.e., thermal states) can be used for several applications such as quantum simulation, quantum machine learning, quantum optimization, and the study of open quantum systems. Moreover, semi-definite programming, combinatorial…

Quantum Physics · Physics 2024-12-20 Norhan M. Eassa , Mahmoud M. Moustafa , Arnab Banerjee , Jeffrey Cohn