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arXiv:1911.03446 · Nature Communications

Scaling advantage over path-integral Monte Carlo in quantum simulation of geometrically frustrated magnets

Andrew D. King, Jack Raymond, Trevor Lanting, Sergei V. Isakov, Masoud Mohseni, Gabriel Poulin-Lamarre, Sara Ejtemaee, William Bernoudy, Isil Ozfidan, Anatoly Yu. Smirnov, Mauricio Reis, Fabio Altomare, Michael Babcock, Catia Baron, Andrew J. Berkley, Kelly Boothby, Paul I. Bunyk, Holly Christiani, Colin Enderud, Bram Evert, Richard Harris, Emile Hoskinson, Shuiyuan Huang, Kais Jooya, Ali Khodabandelou, Nicolas Ladizinsky, Ryan Li, P. Aaron Lott, Allison J. R. MacDonald, Danica Marsden, Gaelen Marsden, Teresa Medina, Reza Molavi, Richard Neufeld, Mana Norouzpour, Travis Oh, Igor Pavlov, Ilya Perminov, Thomas Prescott, Chris C. Rich, Yuki Sato, Benjamin Sheldan, George Sterling, Loren J. Swenson, Nicholas Tsai, Mark H. Volkmann, Jed D. Whittaker, Warren Wilkinson, Jason Yao, Hartmut Neven, Jeremy P. Hilton, Eric Ladizinsky, Mark W. Johnson, Mohammad H. Amin

Published Feb 18, 2021• 141 citations
arXivHTMLPDF

Abstract

The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems. One important task is the simulation of geometrically frustrated magnets in which topological phenomena can emerge from competition between quantum and thermal fluctuations. Here we report on experimental observations of equilibration in such simulations, measured on up to 1440 qubits with microsecond resolution. By initializing the system in a state with topological obstruction, we observe quantum annealing (QA) equilibration timescales in excess of one microsecond. Measurements indicate a dynamical advantage in the quantum simulation compared with spatially local update dynamics of path-integral Monte Carlo (PIMC). The advantage increases with both system size and inverse temperature, exceeding a million-fold speedup over an efficient CPU implementation. PIMC is a leading classical method for such simulations, and a scaling advantage of this type was recently shown to be impossible in certain restricted settings. This is therefore an important piece of experimental evidence that PIMC does not simulate QA dynamics even for sign-problem-free Hamiltonians, and that near-term quantum devices can be used to accelerate computational tasks of practical relevance.

DOI
10.1038/s41467-021-20901-5

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The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems. One important task is the simulation of geometrically frustrated magnets in which topological phenomena can emerge from competition between quantum and thermal fluctuations. Here we report on experimental observations of equilibration in such simulations, measured on up to 1440 qubits with microsecond resolution. By initializing the system in a state with topological obstruction, we observe quantum annealing (QA) equilibration timescales in excess of one microsecond. Measurements indicate a dynamical advantage in the quantum simulation compared with spatially local update dynamics of path-integral Monte Carlo (PIMC). The advantage increases with both system size and inverse temperature, exceeding a million-fold speedup over an efficient CPU implementation. PIMC is a leading classical method for such simulations, and a scaling advantage of this type was recently shown to be impossible in certain restricted settings. This is therefore an important piece of experimental evidence that PIMC does not simulate QA dynamics even for sign-problem-free Hamiltonians, and that near-term quantum devices can be used to accelerate computational tasks of practical relevance.
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Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been widely used to study the physics of materials and for simulated quantum annealing, but these successful applications are rarely accompanied by formal proofs that the Markov chains underlying PIMC rapidly converge to the desired equilibrium distribution. In this work we analyze the mixing time of PIMC for 1D stoquastic Hamiltonians, including disordered transverse Ising models (TIM) with long-range algebraically decaying interactions as well as disordered XY spin chains with nearest-neighbor interactions. By bounding the convergence time to the equilibrium distribution we rigorously justify the use of PIMC to approximate partition functions and expectations of observables for these models at inverse temperatures that scale at most logarithmically with the number of qubits. The mixing time analysis is based on the canonical paths method applied to the single-site Metropolis Markov chain for the Gibbs distribution of 2D classical spin models with couplings related to the interactions in the quantum Hamiltonian. Since the system has strongly nonisotropic couplings that grow with system size, it does not fall into the known cases where 2D classical spin models are known to mix rapidly.
Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been widely used to study the physics of materials and for simulated quantum annealing, but these successful applications are rarely accompanied by formal proofs that the Markov chains underlying PIMC rapidly converge to the desired equilibrium distribution. In this work we analyze the mixing time of PIMC for 1D stoquastic Hamiltonians, including disordered transverse Ising models (TIM) with long-range algebraically decaying interactions as well as disordered XY spin chains with nearest-neighbor interactions. By bounding the convergence time to the equilibrium distribution we rigorously justify the use of PIMC to approximate partition functions and expectations of observables for these models at inverse temperatures that scale at most logarithmically with the number of qubits. The mixing time analysis is based on the canonical paths method applied to the single-site Metropolis Markov chain for the Gibbs distribution of 2D classical spin models with couplings related to the interactions in the quantum Hamiltonian. Since the system has strongly nonisotropic couplings that grow with system size, it does not fall into the known cases where 2D classical spin models are known to mix rapidly.
Recent theoretical and experimental studies have suggested that quantum Monte Carlo (QMC) simulation can behave similarly to quantum annealing (QA). The theoretical analysis was based on calculating transition rates between local minima, in the large spin limit using WentzelKramers-Brillouin (WKB) approximation, for highly symmetric systems of ferromagnetically coupled qubits. The rate of transition was observed to scale the same in QMC and incoherent quantum tunneling, implying that there might be no quantum advantage of QA compared to QMC other than a prefactor. Quantum annealing is believed to provide quantum advantage through large scale superposition and entanglement and not just incoherent tunneling. Even for incoherent tunneling, the scaling similarity with QMC observed above does not hold in general. Here, we compare incoherent tunneling and QMC escape using perturbation theory, which has much wider validity than WKB approximation. We show that the two do not scale the same way when there are multiple homotopy-inequivalent paths for tunneling. We demonstrate through examples that frustration can generate an exponential number of tunneling paths, which under certain conditions can lead to an exponential advantage for incoherent tunneling over classical QMC escape. We provide analytical and numerical evidence for such an advantage and show that it holds beyond perturbation theory.
Quantum annealers use quantum fluctuations to escape local minima and find low-energy configurations of a physical system. Strong evidence for superiority of quantum annealing (QA) has come from comparing QA implemented through quantum Monte Carlo (QMC) simulations to classical annealing. Motivated by recent experiments, we revisit the question of when quantum speedup may be expected. Although a better scaling is seen for QA in two-dimensional Ising spin glasses, this advantage is due to time discretization artifacts and measurements that are not possible on a physical quantum annealer. Simulations in the physically relevant continuous time limit, on the other hand, do not show superiority. Our results imply that care must be taken when using QMC simulations to assess the potential for quantum speedup.
We consider generalized quantum Ising models, including those which could describe disordered materials or quantum annealers, and we prove that for all temperatures above a system-size independent threshold the path integral Monte Carlo method based on worldline heat-bath updates always mixes to stationarity in time O(nlog⁡n) for an n qubit system, and therefore provides a fully polynomial-time approximation scheme for the partition function. This result holds whenever the temperature is greater than four plus twice the maximum interaction degree (valence) over all qubits, measured in units of the local coupling strength. For example, this implies that the classical simulation of the thermal state of a superconducting device modeling a frustrated quantum Ising model with maximum valence of 6 and coupling strengths of 1 GHz is always possible at temperatures above 800 mK. Despite the quantum system being at high temperature, the classical spin system resulting from the quantum-to-classical mapping contains strong couplings which cause the single-site Glauber dynamics to mix slowly, therefore this result depends on the use of worldline updates (which are a form of cluster updates that can be implemented efficiently). This result places definite constraints on the temperatures required for a quantum advantage in analog quantum simulation with various NISQ devices based on equilibrium states of quantum Ising models.