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arXiv:2304.04526

Dissipative Quantum Gibbs Sampling

Daniel Zhang, Jan Lukas Bosse, Toby S. Cubitt

Published Apr 10, 2023• 7 citations
arXivHTMLPDF

Abstract

Systems in thermal equilibrium at non-zero temperature are described by their Gibbs state. For classical many-body systems, the Metropolis-Hastings algorithm gives a Markov process with a local update rule that samples from the Gibbs distribution. For quantum systems, sampling from the Gibbs state is significantly more challenging. Many algorithms have been proposed, but these are more complex than the simple local update rule of classical Metropolis sampling, requiring non-trivial quantum algorithms such as phase estimation as a subroutine. Here, we show that a dissipative quantum algorithm with a simple, local update rule is able to sample from the quantum Gibbs state. In contrast to the classical case, the quantum Gibbs state is not generated by converging to the fixed point of a Markov process, but by the states generated at the stopping time of a conditionally stopped process. This gives a new answer to the long-sought-after quantum analogue of Metropolis sampling. Compared to previous quantum Gibbs sampling algorithms, the local update rule of the process has a simple implementation, which may make it more amenable to near-term implementation on suitable quantum hardware. This dissipative Gibbs sampler works for arbitrary quantum Hamiltonians, without any assumptions on or knowledge of its properties, and comes with certifiable precision and run-time bounds. We also show that the algorithm benefits from some measure of built-in resilience to faults and errors (``fault resilience''). Finally, we also demonstrate how the stopping statistics of an ensemble of runs of the dissipative Gibbs sampler can be used to estimate the partition function.

DOI
10.48550/arxiv.2304.04526

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Systems in thermal equilibrium at non-zero temperature are described by their Gibbs state. For classical many-body systems, the Metropolis-Hastings algorithm gives a Markov process with a local update rule that samples from the Gibbs distribution. For quantum systems, sampling from the Gibbs state is significantly more challenging. Many algorithms have been proposed, but these are more complex than the simple local update rule of classical Metropolis sampling, requiring non-trivial quantum algorithms such as phase estimation as a subroutine. Here, we show that a dissipative quantum algorithm with a simple, local update rule is able to sample from the quantum Gibbs state. In contrast to the classical case, the quantum Gibbs state is not generated by converging to the fixed point of a Markov process, but by the states generated at the stopping time of a conditionally stopped process. This gives a new answer to the long-sought-after quantum analogue of Metropolis sampling. Compared to previous quantum Gibbs sampling algorithms, the local update rule of the process has a simple implementation, which may make it more amenable to near-term implementation on suitable quantum hardware. This dissipative Gibbs sampler works for arbitrary quantum Hamiltonians, without any assumptions on or knowledge of its properties, and comes with certifiable precision and run-time bounds. We also show that the algorithm benefits from some measure of built-in resilience to faults and errors (``fault resilience''). Finally, we also demonstrate how the stopping statistics of an ensemble of runs of the dissipative Gibbs sampler can be used to estimate the partition function.
It is of great interest to understand the thermalization of open quantum many-body systems, and how quantum computers are able to efficiently simulate that process. A recently introduced dissipative evolution, inspired by existing models of open system thermalization, has been shown to be efficiently implementable on a quantum computer. Here, we prove that, at high enough temperatures, this evolution reaches the Gibbs state in time scaling logarithmically with system size. The result holds for Hamiltonians that satisfy the Lieb-Robinson bound, such as local Hamiltonians on a lattice, and includes long-range systems. To the best of our knowledge, these are the first results rigorously establishing the rapid mixing property of high-temperature quantum Gibbs samplers, which is known to give the fastest possible speed for thermalization in the many-body setting. We then apply our result to the problem of estimating partition functions at high temperature, showing an improved performance over previous classical and quantum algorithms.
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, algorithms for preparing thermal states—crucial for probing equilibrium behavior—became available only recently with breakthrough algorithms based on the simulation of well-designed dissipative processes, a quantum-analog to Markov chain Monte Carlo algorithms. We show a way to implement these algorithms avoiding expensive block encoding and relying only on dense local circuits, akin to Hamiltonian simulation. Specifically, our method leverages spatial truncation and Trotterization of exact quasilocal dissipative processes. We rigorously prove that the approximations we use have little effect on rapid mixing at high temperatures and allow convergence to the thermal state with small bounded error. Moreover, we accompany our analytical results with numerical simulations that show that this method, unlike previously thought, is within the reach of current generation of quantum hardware. These results provide the first provably efficient quantum thermalization protocol implementable on near-term quantum devices, offering a concrete path toward practical simulation of equilibrium quantum phenomena.
Recent progress in fully quantum Markov chain Monte Carlo methods enables efficient Gibbs-state sampling on quantum computers [Chen et al., Nature 646, 561 (2025)]. Although rigorous worst-case bounds on mixing times remain largely inaccessible for classically intractable systems, experience from classical Monte Carlo suggests that convergence of relevant observables may nevertheless be rapid. This raises the practical question of how to diagnose convergence efficiently, i.e., with at most polynomial overhead. We propose a low-cost criterion for convergence monitoring that exploits the weak measurements inherent in quantum Gibbs samplers and their qubit-efficient variants [Ding et al., arXiv:2508.05703 (2025)]. Our approach is based on the observation that, at thermal equilibrium, the net energy flow between system and environment vanishes and energy-exchange statistics satisfy a balance condition. This condition appears in the distribution of (quasi-)frequencies extracted from the weak-measurement record and we use it to construct a Hamiltonian-agnostic stopping criterion based solely on data already generated by the sampler. We provide a statistical analysis, along with numerical and analytical studies to understand its performance, assumptions, and limitations.
Gibbs sampling is a crucial computational technique used in physics, statistics, and many other scientific fields. For classical Hamiltonians, the most commonly used Gibbs sampler is the Metropolis algorithm, known for having the Gibbs state as its unique fixed point. For quantum Hamiltonians, designing provably correct Gibbs samplers has been more challenging. [TOV+11] introduced a novel method that uses quantum phase estimation (QPE) and the Marriot-Watrous rewinding technique to mimic the classical Metropolis algorithm for quantum Hamiltonians. The analysis of their algorithm relies upon the use of a boosted and shift-invariant version of QPE which may not exist [CKBG23]. Recent efforts to design quantum Gibbs samplers take a very different approach and are based on simulating Davies generators [CKBG23,CKG23,RWW23,DLL24]. Currently, these are the only provably correct Gibbs samplers for quantum Hamiltonians. We revisit the inspiration for the Metropolis-style algorithm of [TOV+11] and incorporate weak measurement to design a conceptually simple and provably correct quantum Gibbs sampler, with the Gibbs state as its approximate unique fixed point. Our method uses a Boosted QPE which takes the median of multiple runs of QPE, but we do not require the shift-invariant property. In addition, we do not use the Marriott-Watrous rewinding technique which simplifies the algorithm significantly.
We develop a rigorous and implementable framework for Gibbs sampling of infinite-dimensional quantum systems governed by unbounded Hamiltonians. Extending dissipative Gibbs samplers beyond finite dimensions raises fundamental obstacles, including ill-defined generators, the absence of spectral gaps on natural Banach spaces, and tensions between implementability and convergence guarantees. We overcome these issues by constructing KMS-symmetric quantum Markov semigroups on separable Hilbert spaces that are both well-posed and efficiently implementable on qubit hardware. Our generation theory is based on the abstract framework of Dirichlet forms, adapted here to the case of algebras of bounded operators over separable Hilbert spaces. Leveraging the spectral properties of our self-adjoint generators, we establish quantitative convergence results in trace distance, including regimes of fast thermalization. In contrast, we also identify Hamiltonians for which a naive choice of generators guaranteeing implementability generally comes at the cost of losing uniform exponential convergence guarantees for the associated evolutions, thereby establishing a strong trade-off between implementability and convergence. Our framework applies to a wide class of models - including Schrödinger operators, Gaussian systems, and Bose-Hubbard Hamiltonians - and provides a unified approach linking rigorous infinite-dimensional analysis with algorithmic Gibbs state preparation.
Preparing thermal and ground states is an essential quantum algorithmic task for quantum simulation. In this work, we construct the first efficiently implementable and exactly detailed-balanced Lindbladian for Gibbs states of arbitrary noncommutative Hamiltonians. Our construction can also be regarded as a continuous-time quantum analog of the Metropolis-Hastings algorithm. To prepare the quantum Gibbs state, our algorithm invokes Hamiltonian simulation for a time proportional to the mixing time and the inverse temperature βββ, up to polylogarithmic factors. Moreover, the gate complexity reduces significantly for lattice Hamiltonians as the corresponding Lindblad operators are (quasi-) local (with radius ∼β\simβ∼β) and only depend on local Hamiltonian patches. Meanwhile, purifying our Lindbladians yields a temperature-dependent family of frustration-free "parent Hamiltonians", prescribing an adiabatic path for the canonical purified Gibbs state (i.e., the Thermal Field Double state). These favorable features suggest that our construction serves as a quantum algorithmic counterpart to classical Markov chain Monte Carlo sampling.