The Quantum approximate optimization algorithm (QAOA) constitutes one of the often mentioned candidates expected to yield a quantum boost in the era of near-term quantum computing. In practice, quantum optimization will have to compete with cheaper classical heuristic methods, which have the advantage of decades of empirical domain-specific enhancements. Consequently, to achieve optimal performance we will face the issue of algorithm selection, well-studied in practical computing. Here we introduce this problem to the quantum optimization domain. Specifically, we study the problem of detecting those problem instances of where QAOA is most likely to yield an advantage over a conventional algorithm. As our case study, we compare QAOA against the well-understood approximation algorithm of Goemans and Williamson on the Max-Cut problem. As exactly predicting the performance of algorithms can be intractable, we utilize machine learning (ML) to identify when to resort to the quantum algorithm. We achieve cross-validated accuracy well over 96%, which would yield a substantial practical advantage. In the process, we highlight a number of features of instances rendering them better suited for QAOA. While we work with simulated idealised algorithms, the flexibility of ML methods we employed provides confidence that our methods will be equally applicable to broader classes of classical heuristics, and to QAOA running on real-world noisy devices.
As combinatorial optimization is one of the main quantum computing applications, many methods based on parameterized quantum circuits are being developed. In general, a set of parameters are being tweaked to optimize a cost function out of the quantum circuit output. One of these algorithms, the Quantum Approximate Optimization Algorithm stands out as a promising approach to tackling combinatorial problems. However, finding the appropriate parameters is a difficult task. Although QAOA exhibits concentration properties, they can depend on instances characteristics that may not be easy to identify, but may nonetheless offer useful information to find good parameters. In this work, we study unsupervised Machine Learning approaches for setting these parameters without optimization. We perform clustering with the angle values but also instances encodings (using instance features or the output of a variational graph autoencoder), and compare different approaches. These angle-finding strategies can be used to reduce calls to quantum circuits when leveraging QAOA as a subroutine. We showcase them within Recursive-QAOA up to depth 3 where the number of QAOA parameters used per iteration is limited to 3, achieving a median approximation ratio of 0.94 for MaxCut over 200 Erdős-Rényi graphs. We obtain similar performances to the case where we extensively optimize the angles, hence saving numerous circuit calls.
Variational quantum algorithms (VQAs) offer a promising path toward using near-term quantum hardware for applications in academic and industrial research. These algorithms aim to find approximate solutions to quantum problems by optimizing a parametrized quantum circuit using a classical optimization algorithm. A successful VQA requires fast and reliable classical optimization algorithms. Understanding and optimizing how off-theshelf optimization methods perform in this context is important for the future of the field. In this work, we study the performance of four commonly used gradient-free optimization methods [sequential least-squares quadratic programming, constrained optimization by linear approximations, the covariance matrix adaptation evolutionary strategy (CMA-ES), and the simultaneous perturbation stochastic approximation (SPSA)] to find ground-state energies of a range of small chemistry and material science problems. We test a telescoping sampling scheme (where the accuracy of the cost-function estimate provided to the optimizer is increased as the optimization converges) for all methods, demonstrating mixed results across our range of optimizers and problems chosen. We further hyperparameter tune two of the four optimizers (CMA-ES and SPSA) across a large range of models and demonstrate that with appropriate hyperparameter tuning, CMA-ES is competitive with and sometimes outperforms SPSA (which is not observed in the absence of hyperparameter tuning). Finally, we investigate the ability of an optimizer to beat the "sampling-noise floor" given by the sampling noise of each cost-function estimate provided to the optimizer. Our results demonstrate the necessity for tailoring and hyperparameter tuning known optimization techniques for inherently noisy variational quantum algorithms and that the variational landscape that one finds in a VQA is highly problem and system dependent. This provides guidance for future implementations of these algorithms in experiments.
Combinatorial optimization is an important application targeted by quantum computing. However, near-term hardware constraints make quantum algorithms unlikely to be competitive when compared to high-performing classical heuristics on large practical problems. One option to achieve advantages with near-term devices is to use them in combination with classical heuristics. In particular, we propose using quantum methods to sample from classically intractable distributionswhich is the most probable approach to attain a true provable quantum separation in the near-term -which are used to solve optimization problems faster. We numerically study this enhancement by an adaptation of Tabu Search using the Quantum Approximate Optimization Algorithm (QAOA) as a neighborhood sampler. We show that QAOA provides a flexible tool for exploration-exploitation in such hybrid settings and can provide evidence that it can help in solving problems faster by saving many tabu iterations and achieving better solutions.
As restricted quantum computers are slowly becoming a reality, the search for meaningful first applications intensifies. In this domain, one of the more investigated approaches is the use of a special type of quantum circuit -a so-called quantum neural network -to serve as a basis for a machine learning model. Roughly speaking, as the name suggests, a quantum neural network can play a similar role to a neural network. However, specifically for applications in machine learning contexts, very little is known about suitable circuit architectures, or model hyperparameters one should use to achieve good learning performance. In this work, we apply the functional ANOVA framework to quantum neural networks to analyze which of the hyperparameters were most influential for their predictive performance. We analyze one of the most typically used quantum neural network architectures. We then apply this to 7 open-source datasets from the OpenML-CC18 classification benchmark whose number of features is small enough to fit on quantum hardware with less than 20 qubits. Three main levels of importance were detected from the ranking of hyperparameters obtained with functional ANOVA. Our experiment both confirmed expected patterns and revealed new insights. For instance, setting well the learning rate is deemed the most critical hyperparameter in terms of marginal contribution on all datasets, whereas the particular choice of entangling gates used is considered the least important except on one dataset. This work introduces new methodologies to study quantum machine learning models and provides new insights toward quantum model selection.
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