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arXiv:2206.12643 · Physical Review A

Optimized numerical gradient and Hessian estimation for variational quantum algorithms

Yong Siah Teo

Published Apr 17, 2023• 3 citations
arXivHTMLPDF

Abstract

Sampling noisy intermediate-scale quantum devices is a fundamental step that converts coherent quantum-circuit outputs to measurement data for running variational quantum algorithms that utilize gradient and Hessian methods in cost-function optimization tasks. This step, however, introduces estimation errors in the resulting gradient or Hessian computations. To minimize these errors, we discuss tunable numerical estimators, which are the finite difference (including their generalized versions) and scaled parameter-shift estimators [introduced in Phys. Rev. A 103, 012405 (2021)], and propose operational circuit-averaged methods to optimize them. We show that these optimized numerical estimators offer estimation errors that drop exponentially with the number of circuit qubits for a given sampling-copy number, revealing a direct compatibility with the barren-plateau phenomenon. In particular, there exists a critical sampling-copy number below which an optimized difference estimator gives a smaller average estimation error in contrast to the standard (analytical) parameter-shift estimator, which exactly computes gradient and Hessian components. Moreover, this critical number grows exponentially with the circuit-qubit number. Finally, by forsaking analyticity, we demonstrate that the scaled parameter-shift estimators beat the standard unscaled ones in estimation accuracy under any situation, with comparable performances to those of the difference estimators within significant copy-number ranges, and are the best ones if larger copy numbers are affordable.

DOI
10.1103/physreva.107.042421

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Sampling noisy intermediate-scale quantum devices is a fundamental step that converts coherent quantum-circuit outputs to measurement data for running variational quantum algorithms that utilize gradient and Hessian methods in cost-function optimization tasks. This step, however, introduces estimation errors in the resulting gradient or Hessian computations. To minimize these errors, we discuss tunable numerical estimators, which are the finite difference (including their generalized versions) and scaled parameter-shift estimators [introduced in Phys. Rev. A 103, 012405 (2021)], and propose operational circuit-averaged methods to optimize them. We show that these optimized numerical estimators offer estimation errors that drop exponentially with the number of circuit qubits for a given sampling-copy number, revealing a direct compatibility with the barren-plateau phenomenon. In particular, there exists a critical sampling-copy number below which an optimized difference estimator gives a smaller average estimation error in contrast to the standard (analytical) parameter-shift estimator, which exactly computes gradient and Hessian components. Moreover, this critical number grows exponentially with the circuit-qubit number. Finally, by forsaking analyticity, we demonstrate that the scaled parameter-shift estimators beat the standard unscaled ones in estimation accuracy under any situation, with comparable performances to those of the difference estimators within significant copy-number ranges, and are the best ones if larger copy numbers are affordable.
With a finite amount of measurement data acquired in variational quantum algorithms, the statistical benefits of several optimized numerical estimation schemes, including the scaled parameter-shift (SPS) rule and finite-difference (FD) method, for estimating gradient and Hessian functions over analytical schemes [unscaled parameter-shift (PS) rule] were reported by the present author [Phys. Rev. A 107, 042421 (2023)]. We continue the saga by exploring the extent to which these numerical schemes remain statistically more accurate for a given number of sampling copies in the presence of noise. For noise-channel error terms that are independent of the circuit parameters, we demonstrate that without any knowledge about the noise channel, using the SPS and FD estimators optimized specifically for noiseless circuits can still give lower mean-squared errors than PS estimators for substantially wide sampling-copy number ranges---specifically for SPS, closed-form mean-squared error expressions reveal that these ranges grow exponentially in the qubit number and reciprocally with a decreasing error rate. Simulations also demonstrate similar characteristics for the FD scheme. Lastly, if the error rate is known, we propose a noise-model-agnostic error-mitigation procedure to optimize the SPS estimators under the assumptions of two-design circuits and circuit-parameter-independent noise-channel error terms. We show that these heuristically optimized SPS estimators can significantly reduce mean-squared-error biases that naive SPS estimators possess even with realistic circuits and noise channels, thereby improving their estimation qualities even further. The heuristically optimized FD estimators possess as much mean-squared-error biases as the naively optimized counterparts and are thus not beneficial with noisy circuits.
Barren plateaus in variational quantum algorithms are typically described by gradient concentration at random initialization. In contrast, rigorous results for the Hessian, even at the level of entry-wise variance, remain limited. In this work, we analyze the scaling of Hessian-entry variances at initialization. Using exact second-order parameter-shift identities, we write HjkH_{jk}Hjk​ as a constant-size linear combination of shifted cost evaluations, which reduces Varρ(Hjk){\rm Var}_ρ(H_{jk})Varρ​(Hjk​) to a finite-dimensional covariance--quadratic form. For global objectives, under an exponential concentration condition on the cost at initialization, Varρ(Hjk){\rm Var}_ρ(H_{jk})Varρ​(Hjk​) decays exponentially with the number of qubits nnn. For local averaged objectives in bounded-depth circuits, Varρ(Hjk){\rm Var}_ρ(H_{jk})Varρ​(Hjk​) admits polynomial bounds controlled by the growth of the backward lightcone on the interaction graph. As a consequence, the number of measurement shots required to estimate HjkH_{jk}Hjk​ to fixed accuracy inherits the same exponential (global) or polynomial (local) scaling. Extensive numerical experiments over system size, circuit depth, and interaction graphs validate the predicted variance scaling. Overall, the paper quantifies when Hessian entries can be resolved at initialization under finite sampling, providing a mathematically grounded basis for second-order information in variational optimization.
Noisy Intermediate-Scale Quantum (NISQ) devices show great promise for quantum advantage via Parametrized Quantum Circuits (PQCs) and Variational Quantum Algorithms (VQAs). Due to hardware imperfections, however, especially barren plateaus and environmental Pauli noise, the cost landscape is highly distorted, resulting in inaccurate classical optimization during training. To overcome these challenges, a robust quantum gradient descent framework is presented with the integration of error mitigation directly within the optimization loop. A noise-resilient parameter-shift rule is defined and modeled analytically, as is a variant of stochastic gradient descent with real-time Pauli noise mitigation. The framework is based on a 6-qubit system, which is tested on the Max-Cut problem in the presence of different amounts of depolarizing noise. It is shown experimentally that the proposed algorithm is able to achieve the final cost error of 0.045 under significant noise, whereas the standard quantum gradient descent fails to achieve better than 0.320 under this noise. Moreover, the methodology is consistent, converging without a noise-induced flat landscape and without local minima. The method offers a scalable route towards future applications of quantum machine learning on non-fault-tolerant hardware that does not suffer from the large sampling overhead often associated with conventional error mitigation techniques.
Abstract Variational quantum algorithms are a leading candidate for early applications on noisy intermediate-scale quantum computers. These algorithms depend on a classical optimization outer-loop that minimizes some function of a parameterized quantum circuit. In practice, finite sampling error and gate errors make this a stochastic optimization with unique challenges that must be addressed at the level of the optimizer. The sharp trade-off between precision and sampling time in conjunction with experimental constraints necessitates the development of new optimization strategies to minimize overall wall clock time in this setting. In this work, we introduce two optimization methods and numerically compare their performance with common methods in use today. The methods are surrogate model-based algorithms designed to improve reuse of collected data. They do so by utilizing a least-squares quadratic fit of sampled function values within a moving trusted region to estimate the gradient or a policy gradient. To make fair comparisons between optimization methods, we develop experimentally relevant cost models designed to balance efficiency in testing and accuracy with respect to cloud quantum computing systems. The results here underscore the need to both use relevant cost models and optimize hyperparameters of existing optimization methods for competitive performance. The methods introduced here have several practical advantages in realistic experimental settings, and we have used one of them successfully in a separately published experiment on Google’s Sycamore device.
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.
Many optimization methods for training variational quantum algorithms are based on estimating gradients of the cost function. Due to the statistical nature of quantum measurements, this estimation requires many circuit evaluations, which is a crucial bottleneck of the whole approach. We propose a new gradient estimation method to mitigate this measurement challenge and reduce the required measurement rounds. Within a Bayesian framework and based on the generalized parameter shift rule, we use prior information about the circuit to find an estimation strategy that minimizes expected statistical and systematic errors simultaneously. We demonstrate that this approach can significantly outperform traditional gradient estimation methods, reducing the required measurement rounds by up to an order of magnitude for a common QAOA setup. Our analysis also shows that an estimation via finite differences can outperform the parameter shift rule in terms of gradient accuracy for small and moderate measurement budgets.