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Quantum Gibbs Sampling: Theory, Algorithms, and Numerical Analysis

Bence Temesi

Published Jan 1, 2026• 0 citations
Publisher

Abstract

Over the past decades, the problem of classical Gibbs sampling has led to one of the most powerful algorithmic families of the computer age: the Markov Chain Monte Carlo algorithms. Recent theoretical advances in quantum Gibbs sampling have, understandably, sparked considerable excitement. A recent breakthrough provided the first Lindbladians that provably drive a general quantum system to its Gibbs state, efficiently up to the mixing time. In this thesis, we bridge the gap between theory and implementation, with both analytical and numerical contributions. We work out every detail -- from transition rate choices, through quadrature, Trotter, and generator-splitting errors, to quantum circuits that could run on early fault-tolerant quantum computers. Using our fast Krylov-based Lindblad simulators and analysers, we numerically confirm existing theoretical Gibbs sampling results, cross-check our theoretical contributions, and do extrapolatory simulations to understand how the structure of these Gibbs samplers affects convergence rates. Our open-source framework, QuantumFurnace.jl, is built to work hand in hand with theory, providing the community with a tool to further advance quantum Gibbs sampling.

DOI
10.15488/22954

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Over the past decades, the problem of classical Gibbs sampling has led to one of the most powerful algorithmic families of the computer age: the Markov Chain Monte Carlo algorithms. Recent theoretical advances in quantum Gibbs sampling have, understandably, sparked considerable excitement. A recent breakthrough provided the first Lindbladians that provably drive a general quantum system to its Gibbs state, efficiently up to the mixing time. In this thesis, we bridge the gap between theory and implementation, with both analytical and numerical contributions. We work out every detail -- from transition rate choices, through quadrature, Trotter, and generator-splitting errors, to quantum circuits that could run on early fault-tolerant quantum computers. Using our fast Krylov-based Lindblad simulators and analysers, we numerically confirm existing theoretical Gibbs sampling results, cross-check our theoretical contributions, and do extrapolatory simulations to understand how the structure of these Gibbs samplers affects convergence rates. Our open-source framework, QuantumFurnace.jl, is built to work hand in hand with theory, providing the community with a tool to further advance quantum Gibbs sampling.
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.
Recently, there have been several advancements in quantum algorithms for Gibbs sampling. These algorithms simulate the dynamics generated by an artificial Lindbladian, which is meticulously constructed to obey a detailed-balance condition with the Gibbs state of interest, ensuring it is a stationary point of the evolution, while simultaneously having efficiently implementable time steps. The overall complexity then depends primarily on the mixing time of the Lindbladian, which can vary drastically, but which has been previously bounded in the regime of high enough temperatures [Rouzé et al. arXiv:2403.12691 and arXiv:2411.04885]. In this work, we calculate the spectral gap of the Lindbladian for free fermions using third quantisation, and also prove a logarithmic bound on its mixing time by analysing corresponding covariance matrices. Then we prove a constant gap of the perturbed Lindbladian corresponding to interacting fermions up to some maximal coupling strength. This is achieved by using theorems about stability of the gap for lattice fermions. Our methods apply at any constant temperature and independently of the system size. The gap then provides an upper bound on the mixing time, and hence on the overall complexity of the quantum algorithm, proving that the purified Gibbs state of weakly interacting (quasi-)local fermionic systems of any dimension can be prepared in O~(n3polylog⁡(1/ε))\widetilde{\mathcal{O}} (n^3 \operatorname{polylog}(1/ε))O(n3polylog(1/ε)) time on O(n)\mathcal{O}(n)O(n) qubits, where nnn denotes the size of the system and εεε the desired accuracy. As an application, we explain how to calculate partition functions for the considered systems. We provide exact numerical simulations for small system sizes supporting the theory and also identify different suitable jump operators and filter functions for the sought-after regime of intermediate coupling in the Fermi-Hubbard model.
Preparing ground states and thermal states is essential for simulating quantum systems on quantum computers. Despite the hope for practical quantum advantage in quantum simulation, popular state preparation approaches have been challenged. Monte Carlo-style quantum Gibbs samplers have emerged as an alternative, but prior proposals have been unsatisfactory due to technical obstacles rooted in energy-time uncertainty. We introduce simple continuous-time quantum Gibbs samplers that overcome these obstacles by efficiently simulating Nature-inspired quantum master equations (Lindbladians). In addition, we construct the first provably accurate and efficient algorithm for preparing certain purified Gibbs states (called thermal field double states in high-energy physics) of rapidly thermalizing systems; this algorithm also benefits from a quantum walk speedup. Our algorithms' costs have a provable dependence on temperature, accuracy, and the mixing time (or spectral gap) of the relevant Lindbladian. We complete the first rigorous proof of finite-time thermalization for physically derived Lindbladians by developing a general analytic framework for nonasymptotic secular approximation and approximate detailed balance. Given the success of classical Markov chain Monte Carlo (MCMC) algorithms and the ubiquity of thermodynamics, we anticipate that quantum Gibbs sampling will become indispensable in quantum computing.
Many physical phenomena, including thermalization in open quantum systems and quantum Gibbs sampling, are modeled by Lindbladians approximating a system weakly coupled to a bath. Understanding the convergence speed of these Lindbladians to their steady states is crucial for bounding algorithmic runtimes and thermalization timescales. We study two such families of processes: one characterizing a repeated-interaction Gibbs sampling algorithm, and another modeling open many-body quantum thermalization. We prove that both converge in polynomial time for several non-commuting systems, including high-temperature local lattices, weakly interacting fermions, and 1D spin chains. These results demonstrate that simple dissipative quantum algorithms can prepare complex Gibbs states and that Lindblad dynamics accurately capture thermal relaxation. Our proofs rely on a novel technical result that extrapolates spectral gap lower bounds from quasi-local Lindbladians to the non-local generators governing these dynamics.
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.