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arXiv:2110.10560 · Physical review. E

Sampling diverse near-optimal solutions via algorithmic quantum annealing

Masoud Mohseni, Marek M. Rams, Sergei V. Isakov, Daniel Eppens, Susanne Pielawa, Johan Strümpfer, Sergio Boixo, Hartmut Neven

Published Dec 11, 2023• 8 citations
arXivHTMLPDF

Abstract

Sampling a diverse set of high-quality solutions for hard optimization problems is of great practical relevance in many scientific disciplines and applications, such as artificial intelligence and operations research. One of the main open problems is the lack of ergodicity, or mode collapse, for typical stochastic solvers based on Monte Carlo techniques leading to poor generalization or lack of robustness to uncertainties. Currently, there is no universal metric to quantify such performance deficiencies across various solvers. Here, we introduce a new diversity measure for quantifying the number of independent approximate solutions for NP-hard optimization problems. Among others, it allows benchmarking solver performance by a required time-to-diversity (TTD), a generalization of often used time-to-solution (TTS). We illustrate this metric by comparing the sampling power of various quantum annealing strategies. In particular, we show that the inhomogeneous quantum annealing schedules can redistribute and suppress the emergence of topological defects by controlling space-time separated critical fronts, leading to an advantage over standard quantum annealing schedules with respect to both TTS and TTD for finding rare solutions. Using path-integral Monte Carlo simulations for up to 1600 qubits, we demonstrate that nonequilibrium driving of quantum fluctuations, guided by efficient approximate tensor network contractions, can significantly reduce the fraction of hard instances for random frustrated 2D spin glasses with local fields. Specifically, we observe that by creating a class of algorithmic quantum phase transitions, the diversity of solutions can be enhanced by up to 40% with the fraction of hard-to-sample instances reducing by more than 25%.

DOI
10.1103/physreve.108.065303

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Sampling a diverse set of high-quality solutions for hard optimization problems is of great practical relevance in many scientific disciplines and applications, such as artificial intelligence and operations research. One of the main open problems is the lack of ergodicity, or mode collapse, for typical stochastic solvers based on Monte Carlo techniques leading to poor generalization or lack of robustness to uncertainties. Currently, there is no universal metric to quantify such performance deficiencies across various solvers. Here, we introduce a new diversity measure for quantifying the number of independent approximate solutions for NP-hard optimization problems. Among others, it allows benchmarking solver performance by a required time-to-diversity (TTD), a generalization of often used time-to-solution (TTS). We illustrate this metric by comparing the sampling power of various quantum annealing strategies. In particular, we show that the inhomogeneous quantum annealing schedules can redistribute and suppress the emergence of topological defects by controlling space-time separated critical fronts, leading to an advantage over standard quantum annealing schedules with respect to both TTS and TTD for finding rare solutions. Using path-integral Monte Carlo simulations for up to 1600 qubits, we demonstrate that nonequilibrium driving of quantum fluctuations, guided by efficient approximate tensor network contractions, can significantly reduce the fraction of hard instances for random frustrated 2D spin glasses with local fields. Specifically, we observe that by creating a class of algorithmic quantum phase transitions, the diversity of solutions can be enhanced by up to 40% with the fraction of hard-to-sample instances reducing by more than 25%.
Sampling a diverse set of high-quality solutions for hard optimization problems is of great practical relevance in many scientific disciplines and applications, such as artificial intelligence and operations research. One of the main open problems is the lack of ergodicity, or mode collapse, for typical stochastic solvers based on Monte Carlo techniques leading to poor generalization or lack of robustness to uncertainties. Currently, there is no universal metric to quantify such performance deficiencies across various solvers. Here, we introduce a new diversity measure for quantifying the number of independent approximate solutions for NP-hard optimization problems. To test this metric, we compare the sampling power of various quantum annealing strategies. We show that the inhomogeneous quantum annealing schedules can redistribute and suppress the emergence of topological defects by controlling space-time separated critical fronts, leading to an advantage over standard quantum annealing schedules with respect to both Time-To-Solution (TTS) and Time-To-Diversity (TTD) for finding rare solutions. Using Path-Integral Monte Carlo simulations for up to 1600 qubits, we demonstrate that non-equilibrium driving of quantum fluctuations, guided by efficient approximate tensor network contractions, can significantly reduce the fraction of hard instances for random frustrated 2D spin-glasses with local fields. Specifically, we observe that by creating a class of algorithmic quantum phase transitions the diversity of solutions can be enhanced by up to 40% with the fraction of hard-to-sample instances reducing by more than 25%.
Quantum annealing targets low-energy solutions of Ising/QUBO problems, but reliable assessment requires more than best-energy comparisons. This dissertation develops a benchmarking framework for D-Wave quantum annealers that combines strong classical baselines, sampling and diversity metrics, and thermodynamic cost. Its first contribution, SpinGlassPEPS...jl, is a topology-aware tensor-network heuristic for optimization and sampling on Pegasus/Zephyr-like graphs. It maps Ising instances to local Potts clusters, represents the partition function with PEPS, and performs branch-and-bound search in probability space. Benchmarks show that it is a physically interpretable reference solver, though approximate contractions limit its competitiveness on the largest instances. The second contribution treats quantum annealers as effective thermal machines, relating success probability and solution quality to dissipation, entropy production, and effective temperature. Carefully placed pauses can improve performance while reducing thermodynamic cost, although longitudinal fields may become harmful in paused schedules. The thesis also introduces reinforcement-learning post-processing to improve returned samples and exact small-system simulations to probe annealing dynamics. Overall, it argues for quantum-annealing benchmarks that jointly measure algorithmic performance and physical expenditure.
Solving discrete NP-hard problems is an important part of scientific discoveries and operations research as well as many commercial applications. A commonly used metric to compare meta-heuristic solvers is the time required to obtain an optimal solution, known as time to solution. However, for some applications it is desirable to have a set of high-quality and diverse solutions, instead of a single optimal one. For these applications, time to solution may not be informative of the performance of a solver, and another metric would be necessary. In particular, it is not known how well quantum solvers sample the configuration space in comparison to their classical counterparts. Here, we apply a recently introduced collective distance measure in solution space to quantify diversity by Mohseni et. al. and, based on that, we employ time-to-diversity as a metric for evaluation of meta-heuristics solvers. We use this measure to compare the performance of the D-Wave quantum annealing processor with a few classical heuristic solvers on a set of synthetic problems and show that D-Wave quantum annealing processor is indeed a competitive heuristic, and on many instances outperforms state-of-the-art classical solvers, while it remains on par on other instances. This suggests that a portfolio solver that combines quantum and classical solutions may win over all solvers.
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.
Abstract Motivated by near term quantum computing hardware limitations, combinatorial optimization problems that can be addressed by current quantum algorithms and noisy hardware with little or no overhead are used to probe capabilities of quantum algorithms such as the quantum approximate optimization algorithm. In this study, a specific class of near term quantum computing hardware defined combinatorial optimization problems, Ising models on heavy-hex graphs both with and without geometrically local cubic terms, are examined for their classical computational hardness via empirical computation time scaling quantification. Specifically the time-to-solution (TTS) metric using the classical heuristic simulated annealing is measured for finding optimal variable assignments (ground states), as well as the time required for the optimization software Gurobi to find an optimal variable assignment. Because of the sparsity of these Ising models, the classical algorithms are able to find optimal solutions efficiently even for large instances (i.e. 100 000 spin variables). The Ising models both with and without geometrically local cubic terms exhibit average-case linear-time or weakly quadratic scaling when solved exactly using Gurobi, and the Ising models with no cubic terms show evidence of exponential-time TTS scaling when sampled using simulated annealing. These findings point to the necessity of developing and testing more complex, namely more densely connected, optimization problems in order for quantum computing to ever have a practical advantage over classical computing. Our results are another illustration that different classical algorithms can indeed have exponentially different running times, thus making the identification of the best practical classical technique important in any quantum computing vs. classical computing comparison.
For many optimization algorithms the time to solution depends not only on the problem size but also on the specific problem instance and may vary by many orders of magnitude. It is then necessary to investigate the full distribution and especially its tail. Here, we analyze the distributions of annealing times for simulated annealing and simulated quantum annealing (by path integral quantum Monte Carlo simulation) for random Ising spin glass instances. We find power-law distributions with very heavy tails, corresponding to extremely hard instances, but far broader distributions-and thus worse performance for hard instances-for simulated quantum annealing than for simulated annealing. Fast, nonadiabatic, annealing schedules can improve the performance of simulated quantum annealing for very hard instances by many orders of magnitude.