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arXiv:1910.01155 · Quantum

Stochastic gradient descent for hybrid quantum-classical optimization

Ryan Sweke, Frederik Wilde, Johannes Jakob Meyer, Maria Schuld, Paul K. Faehrmann, Barthelemy Meynard-Piganeau, Jens Eisert

Published Aug 31, 2020• 219 citations
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Abstract

Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of s t o c h a s t i c gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with k measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of k . In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values -- originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances -- and we show that in these cases k -shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain ``doubly stochastic'' gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.

DOI
10.22331/q-2020-08-31-314

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Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of s t o c h a s t i c gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with k measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of k . In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values -- originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances -- and we show that in these cases k -shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain ``doubly stochastic'' gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.
Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of stochastic gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with k measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of k. In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values - originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances - and we show that in these cases k-shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain "doubly stochastic" gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.
An important application for near-term quantum computing lies in optimization tasks, with applications ranging from quantum chemistry and drug discovery to machine learning. In many settings, most prominently in so-called parametrized or variational algorithms, the objective function is a result of hybrid quantum-classical processing. To optimize the objective, it is useful to have access to exact gradients of quantum circuits with respect to gate parameters. This paper shows how gradients of expectation values of quantum measurements can be estimated using the same, or almost the same, architecture that executes the original circuit. It generalizes previous results for qubit-based platforms, and proposes recipes for the computation of gradients of continuous-variable circuits. Interestingly, in many important instances it is sufficient to run the original quantum circuit twice while shifting a single gate parameter to obtain the corresponding component of the gradient. More general cases can be solved by conditioning a single gate on an ancilla.
Variational quantum algorithms (VQAs) have attracted a lot of attention from the quantum computing community for the last few years. Their hybrid quantum-classical nature with relatively shallow quantum circuits makes them a promising platform for demonstrating the capabilities of noisy intermediate scale quantum (NISQ) devices. Although the classical machine learning community focuses on gradient-based parameter optimization, finding near-exact gradients for variational quantum circuits (VQCs) with the parameter-shift rule introduces a large sampling overhead. Therefore, gradient-free optimizers have gained popularity in quantum machine learning circles. Among the most promising candidates is the simultaneous perturbation stochastic approximation (SPSA) algorithm, due to its low computational cost and inherent noise resilience. We introduce a novel approach that uses the approximated gradient from SPSA in combination with state-of-the-art gradient-based classical optimizers. We demonstrate numerically that this out-performs both standard SPSA and the parameter-shift rule in terms of convergence rate and absolute error in simple regression tasks. The improvement of our novel approach over SPSA with stochastic gradient descent (SGD) is even amplified when shot- and hardware-noise are taken into account. We also demonstrate that error mitigation does not significantly affect our results.
Variational quantum algorithms (VQAs) offer the most promising path to obtaining quantum advantages via noisy intermediate-scale quantum (NISQ) processors. Such systems leverage classical optimization to tune the parameters of a parameterized quantum circuit (PQC). The goal is minimizing a cost function that depends on measurement outputs obtained from the PQC. Optimization is typically implemented via stochastic gradient descent (SGD). On NISQ computers, gate noise due to imperfections and decoherence affects the stochastic gradient estimates by introducing a bias. Quantum error mitigation (QEM) techniques can reduce the estimation bias without requiring any increase in the number of qubits, but they in turn cause an increase in the variance of the gradient estimates. This work studies the impact of quantum gate noise on the convergence of SGD for the variational eigensolver (VQE), a fundamental instance of VQAs. The main goal is ascertaining conditions under which QEM can enhance the performance of SGD for VQEs. It is shown that quantum gate noise induces a nonzero error-floor on the convergence error of SGD (evaluated with respect to a reference noiseless PQC), which depends on the number of noisy gates, the strength of the noise, as well as the eigenspectrum of the observable being measured and minimized. In contrast, with QEM, any arbitrarily small error can be obtained. Furthermore, for error levels attainable with or without QEM, QEM can reduce the number of required iterations, but only as long as the quantum noise level is sufficiently large, and a sufficiently large number of measurements is allowed at each SGD iteration. Numerical examples for a max-cut problem corroborate the main theoretical findings.
Hybrid quantum-classical optimization algorithms represent one of the most promising application for near-term quantum computers. In these algorithms the goal is to optimize an observable quantity with respect to some classical parameters, using feedback from measurements performed on the quantum device. Here we study the problem of estimating the gradient of the function to be optimized directly from quantum measurements, generalizing and simplifying some approaches present in the literature, such as the so-called parameter-shift rule. We derive a mathematically exact formula that provides a stochastic algorithm for estimating the gradient of any multi-qubit parametric quantum evolution, without the introduction of ancillary qubits or the use of Hamiltonian simulation techniques. The gradient measurement is possible when the underlying device can realize all Pauli rotations in the expansion of the Hamiltonian whose coefficients depend on the parameter. Our algorithm continues to work, although with some approximations, even when all the available quantum gates are noisy, for instance due to the coupling between the quantum device and an unknown environment.
Variational quantum circuits characterise the state of a quantum system through the use of parameters that are optimised using classical optimisation procedures that typically rely on gradient information. The circuit-execution complexity of estimating the gradient of expectation values grows linearly with the number of parameters in the circuit, thereby rendering such methods prohibitively expensive. In this paper, we address this problem by proposing a novel Quantum-Gradient Sampling algorithm that requires the execution of at most two circuits per iteration to update the optimisable parameters, and with a reduced number of shots. Furthermore, our proposed method achieves similar asymptotic convergence rates to classical gradient descent, and empirically outperforms gradient descent, randomised coordinate descent, and SPSA.