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arXiv:2007.08487

Achieving fair sampling in quantum annealing

Vaibhaw Kumar, Casey Tomlin, C. Nehrkorn, Daniel O’Malley, Joseph Stephen Dulny

Published Jul 16, 2020• 12 citations
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Abstract

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.

DOI
10.48550/arxiv.2007.08487

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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.
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.
In applications where multiple optimal solutions are needed, transverse-field quantum annealing (QA) is known to sample degenerate ground states in a strongly biased manner. Despite extensive empirical observations, it remains unclear which features of degenerate ground states are preferentially sampled and why by QA. Here we analyze the final states using degenerate perturbation theory to characterize the preference among them. In this analysis, the adjacency matrix of the graph composed by the ground states naturally emerges, and we can predict the eigenvector centralities (one of the node centralities) are related to the probabilities of these states. We verify this prediction on toy models where degeneracy is lifted at first and second order, and we show that second-order weights encode local barrier information, relating sampling fairness to the flatness of the local energy landscape. Finally, this perspective suggests two practical routes toward fair sampling -- promoting connectivity of the graph and reducing heterogeneity of centralities -- and we illustrate consistency with higher-order drivers and minor-embedding transformations.
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.
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.
Reaching a degenerate ground-state manifold and sampling it uniformly are distinct properties of a quantum annealer. We quantify this distinction using an Ising ring with additional couplings between maximally separated sites. For antiferromagnetic benchmark couplings and N≥5N \geq 5N≥5, we derive the exact ground-state energy, degeneracy, and defect structure for each congruence class of NNN modulo four. This classification separates ground-state hit probability from conditional sampling bias. We embed instances with up to 162 logical spins on a D-Wave Advantage processor using length-two chains and compare its output with simulated annealing on the embedded and logical problems. For a frustrated N=83N=83N=83 instance, the processor visits 164 of the 166 exact ground states, yet the conditional distributions over states and defect sectors remain nonuniform. For N=160N=160N=160, the processor has a larger ground-state hit probability than logical simulated annealing (0.869 versus 0.519), but also a larger total-variation distance from uniformity (0.317 versus 0.136). A pause during the anneal raises the ground-state hit probability from 0.42 to 0.86 without restoring uniform sampling. These results identify a relaxation window and demonstrate that optimization success and sampling quality need not improve together, providing an exactly characterized benchmark for open-system quantum annealing.