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arXiv:1806.06081 · Physical Review A

Uncertain fate of fair sampling in quantum annealing

Mario S. Könz, Guglielmo Mazzola, Andrew J. Ochoa, Helmut G. Katzgraber, Matthias Troyer

Published Sep 20, 2019• 47 citations
arXivHTMLPDF

Abstract

Recently, it was demonstrated both theoretically and experimentally on the D-Wave quantum annealer that transverse-field quantum annealing does not find all ground states with equal probability. In particular, it was proposed that more complex driver Hamiltonians beyond transverse fields might mitigate this shortcoming. Here, we investigate the mechanisms of (un)fair sampling in quantum annealing. While higher-order terms can improve the sampling for selected small problems, we present multiple counterexamples where driver Hamiltonians that go beyond transverse fields do not remove the sampling bias. Using perturbation theory we explain why this is the case. In addition, we present large-scale quantum Monte Carlo simulations for spin glasses with known degeneracy in two space dimensions and demonstrate that the fair-sampling performance of quadratic driver terms is comparable to standard transverse-field drivers. Our results suggest that quantum annealing machines are not well suited for sampling applications, unless postprocessing techniques to improve the sampling are applied.

DOI
10.1103/physreva.100.030303

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Recently, it was demonstrated both theoretically and experimentally on the D-Wave quantum annealer that transverse-field quantum annealing does not find all ground states with equal probability. In particular, it was proposed that more complex driver Hamiltonians beyond transverse fields might mitigate this shortcoming. Here, we investigate the mechanisms of (un)fair sampling in quantum annealing. While higher-order terms can improve the sampling for selected small problems, we present multiple counterexamples where driver Hamiltonians that go beyond transverse fields do not remove the sampling bias. Using perturbation theory we explain why this is the case. In addition, we present large-scale quantum Monte Carlo simulations for spin glasses with known degeneracy in two space dimensions and demonstrate that the fair-sampling performance of quadratic driver terms is comparable to standard transverse-field drivers. Our results suggest that quantum annealing machines are not well suited for sampling applications, unless postprocessing techniques to improve the sampling are applied.
We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009)NJOPFM1367-263010.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.
Sampling all ground states of a Hamiltonian with equal probability is a desired feature of a sampling algorithm, but recent studies indicate that common variants of transverse field quantum annealing sample the ground state subspace unfairly. In this note, we present perturbation theory arguments suggesting that this deficiency can be corrected by employing reverse annealing-inspired paths. We confirm that this conclusion holds in simulations of previously studied small instances with degeneracy, as well as larger instances on quantum annealing hardware.
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Quantum annealing generally samples degenerate ground states with nonuniform probabilities. This unfair sampling depends on how the driver Hamiltonian couples these states near the end of annealing. For combinatorial optimization problems with a cardinality constraint, the penalty method and constrained quantum annealing (CQA) differ in these couplings. The transverse-field driver of the penalty method does not directly couple feasible ground states, whereas the fully connected XY driver of CQA couples pairs of them related by a single spin exchange. We investigate how this difference affects ground-state sampling, using closed-system simulations of random graph bipartitioning instances together with degenerate perturbation theory. For the instances studied, the conditional ground-state distribution of penalty-based quantum annealing approaches that of CQA at sufficiently large penalties and long annealing times. This convergence can be explained by the effective Hamiltonian of penalty-based quantum annealing, in which virtual single-spin flips to infeasible states generate a second-order interaction proportional to the CQA driver projected onto the feasible ground-state manifold, which is the leading term of the effective Hamiltonian of CQA. In the numerical simulations, the Jensen--Shannon divergence between the conditional ground-state distributions of penalty-based quantum annealing and CQA decreases approximately as the inverse square of the penalty-to-objective energy ratio, consistent with the perturbative analysis. This correspondence between the effective Hamiltonians extends to equal-weight fixed-magnetization constraints under the same perturbative conditions, providing a common mechanism for sampling bias in the two implementations.
Perturbative anticrossings have long been identified as a potential computational bottleneck for quantum annealing. This bottleneck can appear, for example, when a uniform transverse driver Hamiltonian is applied to each qubit. Previous theoretical research sought to alleviate such anticrossings by adjusting the transverse driver Hamiltonians on individual qubits according to a perturbative approximation. Here we apply this principle to a physical implementation of quantum annealing in a D-Wave 2000Q system. We use samples from the quantum annealing hardware and per-qubit anneal offsets to produce nonuniform driver Hamiltonians. On small instances with severe perturbative anticrossings, our algorithm yields an increase in minimum eigengaps, ground-state success probabilities, and escape rates from metastable valleys. We also demonstrate that the same approach can mitigate biased sampling of degenerate ground states.
Quantum annealing (QA) is a promising approach for solving combinatorial optimization problems; however, it is known to exhibit unfair sampling, in which degenerate ground states are not sampled with equal probability even for sufficiently long annealing times. Fair sampling is important in applications such as solution diversity assessment and combinatorial counting, yet the mechanism of unfair sampling remains poorly understood, particularly in constrained combinatorial optimization problems. In this work, we investigate unfair sampling of QA in weighted graph bipartitioning problems (GBP), a representative constrained optimization problem. We study how the penalty coefficient in the penalty method affects sampling fairness. Through numerical simulations and experiments on the D-Wave Advantage2 system, we show that increasing the penalty coefficient reduces unfair sampling in a representative single instance, and that this qualitative behavior is also observed on actual hardware. A scaling analysis over randomly generated instances with up to 12 spins reveals that, while this trend does not hold universally, more than 70% of instances exhibit monotonically increasing sampling fairness as the penalty coefficient increases, even at the largest system size studied. These results show that increasing the penalty coefficient improves sampling fairness, though at the cost of ground-state probability under practical annealing conditions, and call for a deeper theoretical understanding of unfair sampling in constrained optimization problems.