A wide variety of optimization techniques, both exact and heuristic, tend to be biased samplers. This means that when attempting to find multiple uncorrelated solutions of a degenerate Boolean optimization problem a subset of the solution space tends to be favored while, in the worst case, some solutions can never be accessed by the algorithm used. Here we present a simple postprocessing technique that improves sampling for any optimization approach, either quantum or classical. More precisely, starting from a pool of a few optimal configurations, the algorithm generates potentially new solutions via rejection-free cluster updates at zero temperature. Although the method is not ergodic and there is no guarantee that all the solutions can be found, fair sampling is typically improved. We illustrate the effectiveness of our method by improving the exponentially biased data produced by the D-Wave 2X quantum annealer [S. Mandrà et al., Phys. Rev. Lett. 118, 070502 (2017)PRLTAO0031-900710.1103/PhysRevLett.118.070502], as well as data from three-dimensional Ising spin glasses. As part of the study, we also show that sampling is improved when suboptimal states are included and discuss sampling at a finite fixed temperature.
A wide variety of optimization techniques, both exact and heuristic, tend to be biased samplers. This means that when attempting to find multiple uncorrelated solutions of a degenerate Boolean optimization problem a subset of the solution space tends to be favored while, in the worst case, some solutions can never be accessed by the algorithm used. Here we present a simple postprocessing technique that improves sampling for any optimization approach, either quantum or classical. More precisely, starting from a pool of a few optimal configurations, the algorithm generates potentially new solutions via rejection-free cluster updates at zero temperature. Although the method is not ergodic and there is no guarantee that all the solutions can be found, fair sampling is typically improved. We illustrate the effectiveness of our method by improving the exponentially biased data produced by the D-Wave 2X quantum annealer [S. Mandrà et al., Phys. Rev. Lett. 118, 070502 (2017)PRLTAO0031-900710.1103/PhysRevLett.118.070502], as well as data from three-dimensional Ising spin glasses. As part of the study, we also show that sampling is improved when suboptimal states are included and discuss sampling at a finite fixed temperature.
We present and apply a general-purpose, multistart algorithm for improving the performance of low-energy samplers used for solving optimization problems. The algorithm iteratively fixes the value of a large portion of the variables to values that have a high probability of being optimal. The resulting problems are smaller and less connected, and samplers tend to give better low-energy samples for these problems. The algorithm is trivially parallelizable since each start in the multistart algorithm is independent, and could be applied to any heuristic solver that can be run multiple times to give a sample. We present results for several classes of hard problems solved using simulated annealing, path-integral quantum Monte Carlo, parallel tempering with isoenergetic cluster moves, and a quantum annealer, and show that the success metrics and the scaling are improved substantially. When combined with this algorithm, the quantum annealer's scaling was substantially improved for native Chimera graph problems. In addition, with this algorithm the scaling of the time to solution of the quantum annealer is comparable to the Hamze-de Freitas-Selby algorithm on the weak-strong cluster problems introduced by Boixo et al. Parallel tempering with isoenergetic cluster moves was able to consistently solve three-dimensional spin glass problems with 8000 variables when combined with our method, whereas without our method it could not solve any.
Although many efficient heuristics have been developed to solve binary optimization problems, these typically produce correlated solutions for degenerate problems. Most notably, transverse-field quantum annealing-the heuristic employed in current commercially available quantum annealing machines-has been shown to often be exponentially biased when sampling the solution space. Here we present an approach to sample ground-state (or low-energy) configurations for binary optimization problems. The method samples degenerate states with almost equal probability and is based on a combination of parallel tempering Monte Carlo with isoenergetic cluster moves. We illustrate the approach using two-dimensional Ising spin glasses, as well as spin glasses on the D-Wave Systems quantum annealer chimera topology. In addition, a simple heuristic to approximate the number of solutions of a degenerate problem is introduced.
Spin glasses are experiencing a revival due to applications in quantum information\ntheory. In particular, they are the archetypal native benchmark problem for quantum annealing\nmachines. Furthermore, they find applications in fields as diverse as satisfiability,\nneural networks, and general combinatorial optimization problems. As such, developing\nand improving algorithms and methods to study these computationally complex systems\nis of paramount importance to many disciplines. This body of work attempts to attack\nthe problem of solving combinatorial optimization problems by simulating spin glasses\nfrom three sides: classical algorithm development, suggestions for quantum annealing\ndevice design, and improving measurements in realistic physical systems with inherent\nnoise. I begin with the introduction of a cluster algorithm based on Houdayer’s cluster algorithm\nfor two-dimensional Ising spin-glasses that is applicable to any space dimension\nand speeds up thermalization by several orders of magnitude at low temperatures where\nprevious algorithms have difficulty. I show improvement for the D-Wave chimera topology\nand the three-dimensional cubic lattice that increases with the size of the problem.\nOne consequence of adding cluster moves is that for problems with degenerate solutions,\nground-state sampling is improved. I demonstrate an ergodic algorithm to sample ground\nstates through the use of simple Monte Carlo with parallel tempering and cluster moves.\nIn addition, I present a non-ergodic algorithm to generate new solutions from a bank of\nknown solutions. I compare these results against results from quantum annealing utilizing\nthe D-Wave Inc. quantum annealing device. Finally, I present an algorithm for improving\nthe recovery of ground-state solutions from problems with noise by using thermal fluctuations\nto infer the correct solution at the Nishimori temperature. While this method has been\ndemonstrated analytically and numerically for trivial ferromagnetic and Gaussian distributions, a useful metric for more complex Gaussian distributions with added Gaussian noise\nis unavailable. We show improved recovery of numerical solutions on the chimera graph\nwith a ferromagnetic distribution and added Gaussian noise. Next, I direct my focus to the\ndesign of future generations of quantum annealers. The first design is the two-dimensional\nsquare-lattice bimodal spin glass with next-nearest ferrromagnetic interactions proposed\nby Lemke and Campbell claimed to exhibit a finite-temperature spin-glass state for a particular\nrelative strength of the next-nearest to nearest neighbor interactions. Our results\nfrom finite-temperature simulations show the system is in a paramagnetic state in the thermodynamic\nlimit, thus not useful for quantum annealing device designs that would benefit\nfrom a spin-glass phase transition. The second design is the diluted next-nearest neighbor\nIsing spin-glass with Gaussian interactions in an attempt to improve the estimation\nof critical parameter with smaller system sizes by implementing averaging of observables\nover different graph dilutions. To date, this model has shown no improvement. Finally,\nI make suggestions for the choice of distributions of interactions that are robust to noise\nand present a method for using previously unaccessible continuous distributions. I begin\nwith showing the best-case performance of quantum annealing devices. I show results for\nthe resilience, the probability that the ground-state solution has changed due to inherent\nanalog noise in the device, and present strategies for developing robust instance classes.\nThe analog noise is also detrimental to interactions chosen from continuous distributions.\nUsing Gaussian quadratures, I present a method for discretizing continuous distributions\nto reduce noise effects. Simulations on the D-Wave show that the average residual of\nthe ground-state energy with the true ground-state energy is calculated and shown to be\nsmaller in the case of the discrete distribution.
We demonstrate a hybrid quantum-classical approach for exploring ground-state manifolds of maximum independent set problems, in which quantum hardware supplies the initial solutions and an entirely classical post-processing algorithm expands them, increasing the solution diversity of quantum hardware measurements by up to several orders of magnitude. Quantum optimization devices, while capable of generating high-quality solutions, can suffer from fundamental sampling limitations. This is particularly problematic for applications that strongly depend on a large variety of uncorrelated optimal solutions. We apply the Houdayer cluster update algorithm to systematically expand quantum-generated solution sets through classical post-processing. We validate our approach on a test bed of 43 problem instances from QuEra's Aquila analog annealing device, achieving diversity amplification factors, defined as the increase in the number of distinct solutions at a given set size, of up to 11923x with a median of 24.3x across different problem scales and hardness parameters. Because exact ground-state degeneracies are known for these instances, the recovered fraction of the manifold can be measured rather than bounded: post-processing recovers a median of 21% of the ground-state manifold, and provably all of it for six instances. We also demonstrate that, in some cases, the classical post-processing can discover independent sets larger than those found by the quantum hardware, thus improving on solution quality and not just diversity. While the method is non-ergodic and cannot guarantee complete manifold coverage, it consistently discovers a larger number of high-quality, and in some cases strictly better, configurations than quantum sampling alone. This work demonstrates how simple classical post-processing can enhance the utility of quantum optimization results.
The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step.
We study the fair sampling properties of hybrid quantum-classical Markov chain Monte Carlo (MCMC) algorithms for combinatorial optimization problems with degenerate ground states. While quantum optimization heuristics such as quantum annealing and the quantum approximate optimization algorithm (QAOA) are known to induce biased sampling, hybrid quantum-classical MCMC incorporates quantum dynamics only as a proposal transition and enforces detailed balance through classical acceptance steps. Using small Ising models, we show that MCMC post-processing corrects the sampling bias of quantum dynamics and restores near-uniform sampling over degenerate ground states. We then apply the method to random k-SAT problems near the satisfiability threshold. For random 2-SAT, a hybrid MCMC combining QAOA-assisted neural proposals with single spin-flip updates achieves fairness comparable to that of PT-ICM. For random 3-SAT, where such classical methods are no longer applicable, the hybrid MCMC still attains approximately uniform sampling. We also examine solution counting and find that the required number of transitions is comparable to that of WalkSAT. These results indicate that hybrid quantum-classical MCMC provides a viable framework for fair sampling and solution enumeration.