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arXiv:2207.07044 · Quantum

A rapidly mixing Markov chain from any gapped quantum many-body system

Sergey B. Bravyi, Giuseppe Carleo, David Gosset, Yinchen Liu

Published Nov 7, 2023• 4 citations
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Abstract

We consider the computational task of sampling a bit string x from a distribution π(x)=|⟨x|ψ⟩|2 , where ψ is the unique ground state of a local Hamiltonian H . Our main result describes a direct link between the inverse spectral gap of H and the mixing time of an associated continuous-time Markov Chain with steady state π . The Markov Chain can be implemented efficiently whenever ratios of ground state amplitudes ⟨y|ψ⟩/⟨x|ψ⟩ are efficiently computable, the spectral gap of H is at least inverse polynomial in the system size, and the starting state of the chain satisfies a mild technical condition that can be efficiently checked. This extends a previously known relationship between sign-problem free Hamiltonians and Markov chains. The tool which enables this generalization is the so-called fixed-node Hamiltonian construction, previously used in Quantum Monte Carlo simulations to address the fermionic sign problem. We implement the proposed sampling algorithm numerically and use it to sample from the ground state of Haldane-Shastry Hamiltonian with up to 56 qubits. We observe empirically that our Markov chain based on the fixed-node Hamiltonian mixes more rapidly than the standard Metropolis-Hastings Markov chain.

DOI
10.22331/q-2023-11-07-1173

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We consider the computational task of sampling a bit string x from a distribution π(x)=|⟨x|ψ⟩|2 , where ψ is the unique ground state of a local Hamiltonian H . Our main result describes a direct link between the inverse spectral gap of H and the mixing time of an associated continuous-time Markov Chain with steady state π . The Markov Chain can be implemented efficiently whenever ratios of ground state amplitudes ⟨y|ψ⟩/⟨x|ψ⟩ are efficiently computable, the spectral gap of H is at least inverse polynomial in the system size, and the starting state of the chain satisfies a mild technical condition that can be efficiently checked. This extends a previously known relationship between sign-problem free Hamiltonians and Markov chains. The tool which enables this generalization is the so-called fixed-node Hamiltonian construction, previously used in Quantum Monte Carlo simulations to address the fermionic sign problem. We implement the proposed sampling algorithm numerically and use it to sample from the ground state of Haldane-Shastry Hamiltonian with up to 56 qubits. We observe empirically that our Markov chain based on the fixed-node Hamiltonian mixes more rapidly than the standard Metropolis-Hastings Markov chain.
The Markov-chain Monte Carlo method is at the heart of efficient approximation schemes for a wide range of problems in combinatorial enumeration and statistical physics. It is therefore very natural and important to determine whether quantum computers can speed up classical mixing processes based on Markov chains. To this end, we present a quantum algorithm, making it possible to prepare a quantum sample---i.e., a coherent version of the stationary distribution of a reversible Markov chain. Our algorithm has a significantly better running time than that of a previous algorithm based on adiabatic-state generation. We also show that our methods provide a greater speedup over a recently proposed method for obtaining the ground states of (classical) Hamiltonians.
Markov chain methods are remarkably successful in computational physics, machine learning, and combinatorial optimization. The cost of such methods often reduces to the mixing time, i.e., the time required to reach the steady state of the Markov chain, which scales as δ−1 , the inverse of the spectral gap. It has long been conjectured that quantum computers offer nearly generic quadratic improvements for mixing problems. However, except in special cases, quantum algorithms achieve a run-time of O(δ−1N) , which introduces a costly dependence on the Markov chain size N, not present in the classical case. Here, we re-address the problem of mixing of Markov chains when these form a slowly evolving sequence. This setting is akin to the simulated annealing setting and is commonly encountered in physics, material sciences and machine learning. We provide a quantum memory-efficient algorithm with a run-time of O(δ−1N4) , neglecting logarithmic terms, which is an important improvement for large state spaces. Moreover, our algorithms output quantum encodings of distributions, which has advantages over classical outputs. Finally, we discuss the run-time bounds of mixing algorithms and show that, under certain assumptions, our algorithms are optimal.
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.
Quantum Monte Carlo (QMC) methods have proven invaluable in condensed matter physics, particularly for studying ground states and thermal equilibrium properties of quantum Hamiltonians without a sign problem. Over the past decade, significant progress has also been made on their rigorous convergence analysis. Heisenberg antiferromagnets (AFM) with bipartite interaction graphs are a popular target of computational QMC studies due to their physical importance, but despite the apparent empirical efficiency of these simulations it remains an open question whether efficient classical approximation of the ground energy is possible in general. In this work we introduce a ground state variant of the stochastic series expansion QMC method, and for the special class of AFM on interaction graphs with an O(1)O(1)O(1)-bipartite component (star-like), we prove rapid mixing of the associated QMC Markov chain (polynomial time in the number of qubits) by using Jerrum and Sinclair's method of canonical paths. This is the first Markov chain analysis of a practical class of QMC algorithms with the loop representation of Heisenberg models. Our findings contribute to the broader effort to resolve the computational complexity of Heisenberg AFM on general bipartite interaction graphs.
Szegedy's quantum walk quadratically accelerates reversible classical Markov chains, but extending this mechanism to efficiently implementable quantum Gibbs samplers has remained challenging beyond special classes. We present a walk-free quantum algorithm for preparing purified Gibbs states with a quadratic improvement in spectral-gap dependence for a broad class of quantum Gibbs samplers that satisfy exact Kubo-Martin-Schwinger detailed balance. Our main structural result is an explicit factorization of the corresponding parent Hamiltonian into noncommutative first-order operators. This turns purified Gibbs-state preparation into a singular-value filtering problem and enables a quantum singular value transformation algorithm with quadratically improved gap dependence under standard coherent-access and warm-start assumptions. The framework applies to several efficiently implementable Gibbs samplers beyond the Davies setting. Moreover, we construct noncommuting Hamiltonians with efficiently preparable warm starts whose refinement under quantum Gibbs samplers requires exponential time. For these models, our algorithm achieves an end-to-end quantum speedup over the worst-case mixing scale.
In this work, we present a quantum Markov chain algorithm for many-body systems that utilizes a special phase of matter known as the Many-Body Localized (MBL) phase. We show how the properties of the MBL phase enable one to address the conditions for ergodicity and sampling from distributions of quantum states. We demonstrate how to exploit the thermalized-to-localized transition to tune the acceptance rate of the Markov chain, and apply the algorithm to solve a range of combinatorial optimization problems of quadratic order and higher. The algorithm can be implemented on any quantum processing unit capable of simulating the Floquet dynamics of a one-dimensional Ising chain with nearest-neighbor interactions, providing a practical way of sampling from thermal distributions of Hamiltonians that cannot be natively implemented on the quantum hardware.