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arXiv:2404.15751 · IEEE International Conference on Quantum Computing and Engineering (QCE)

Guided-SPSA: Simultaneous Perturbation Stochastic Approximation Assisted by the Parameter Shift Rule

Maniraman Periyasamy, Axel Plinge, Christopher Mutschler, Daniel D. Scherer, Wolfgang Mauerer

Published Sep 15, 2024• 10 citations
arXivHTMLPDF

Abstract

The study of variational quantum algorithms (VQCs) has received significant attention from the quantum computing community in recent years. These hybrid algorithms, utilizing both classical and quantum components, are well-suited for noisy intermediate-scale quantum devices. Though estimating exact gradients using the parameter-shift rule to optimize the VQCs is realizable in NISQ devices, they do not scale well for larger problem sizes. The computational complexity, in terms of the number of circuit evaluations required for gradient estimation by the parameter-shift rule, scales linearly with the number of parameters in VQCs. On the other hand, techniques that approximate the gradients of the VQCs, such as the simultaneous perturbation stochastic approximation (SPSA), do not scale with the number of parameters but struggle with instability and often attain suboptimal solutions. In this work, we introduce a novel gradient estimation approach called Guided-SPSA, which meaningfully combines the parameter-shift rule and SPSA-based gradient approximation. The Guided-SPSA results in a 15% to 25% reduction in the number of circuit evaluations required during training for a similar or better optimality of the solution found compared to the parameter-shift rule. The Guided-SPSA outperforms standard SPSA in all scenarios and outperforms the parameter-shift rule in scenarios such as suboptimal initialization of the parameters. We demonstrate numerically the performance of Guided-SPSA on different paradigms of quantum machine learning, such as regression, classification, and reinforcement learning.

DOI
10.1109/qce60285.2024.00177

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The study of variational quantum algorithms (VQCs) has received significant attention from the quantum computing community in recent years. These hybrid algorithms, utilizing both classical and quantum components, are well-suited for noisy intermediate-scale quantum devices. Though estimating exact gradients using the parameter-shift rule to optimize the VQCs is realizable in NISQ devices, they do not scale well for larger problem sizes. The computational complexity, in terms of the number of circuit evaluations required for gradient estimation by the parameter-shift rule, scales linearly with the number of parameters in VQCs. On the other hand, techniques that approximate the gradients of the VQCs, such as the simultaneous perturbation stochastic approximation (SPSA), do not scale with the number of parameters but struggle with instability and often attain suboptimal solutions. In this work, we introduce a novel gradient estimation approach called Guided-SPSA, which meaningfully combines the parameter-shift rule and SPSA-based gradient approximation. The Guided-SPSA results in a 15% to 25% reduction in the number of circuit evaluations required during training for a similar or better optimality of the solution found compared to the parameter-shift rule. The Guided-SPSA outperforms standard SPSA in all scenarios and outperforms the parameter-shift rule in scenarios such as suboptimal initialization of the parameters. We demonstrate numerically the performance of Guided-SPSA on different paradigms of quantum machine learning, such as regression, classification, and reinforcement learning.
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Training variational quantum models requires choosing between parameter-shift gradients, which are exact but cost O(P)O(P)O(P) forward evaluations, and simultaneous perturbation stochastic approximation (SPSA), which uses only two samples but produces high-variance estimates that can degrade optimisation on small supervised tasks. Whether the cheap gradient is usable depends on the variance that results from different choices of the SPSA perturbation scale, learning rate, and gain-decay schedule. We varied those quantities across a broad grid on a 6-qubit, 60-parameter QNLI classifier and compared the best configurations to parameter-shift AdamW and BuresQNG. AdamW-style SPSA with c0=0.01c_0=0.01c0​=0.01, η=0.10η=0.10η=0.10, γ=0.10γ=0.10γ=0.10 reached 55%±11%55\% \pm 11\%55%±11% test accuracy, improving over the default configuration (49%±6%49\% \pm 6\%49%±6%) but remaining 16-19 percentage points below the parameter-shift baselines because the two-sample SPSA gradient estimate has too much variance for reliable optimisation of 60 parameters in 40 epochs. Classical-gain SPSA and Bures-preconditioned SPSA performed worse, at 51%51\%51% and 46%46\%46% respectively. Bures-preconditioning a noisy two-sample SPSA gradient amplifies perturbation noise.
We present a novel method for determining gradients of parameterised quantum circuits (PQCs) in hybrid quantum-classical machine learning models by applying the multivariate version of the simultaneous perturbation stochastic approximation (SPSA) algorithm. The gradients of PQC layers can be calculated with an overhead of two evaluations per circuit per forward-pass independent of the number of circuit parameters, compared to the linear scaling of the parameter shift rule. These are then used in the backpropagation algorithm by applying the chain rule. We compare our method to the parameter shift rule for different circuit widths and batch sizes, and for a range of learning rates. We find that, as the number of qubits increases, our method converges significantly faster than the parameter shift rule and to a comparable accuracy, even when considering the optimal learning rate for each method.
In this paper, we focus on the task of optimizing the parameters in Parametrized Quantum Circuits (PQCs). While popular algorithms, such as Simultaneous Perturbation Stochastic Approximation (SPSA), limit the number of circuit-execution to two per iteration, irrespective of the number of parameters in the circuit, they have their own challenges. These methods use central-differences to calculate biased estimates of directional derivatives. We show, both theoretically and numerically, that this may lead to instabilities in \emph{training} the PQCs. To remedy this, we propose Stochastic Shadow Descent (\texttt{SSD}), which uses random-projections (or \emph{shadows}) of the gradient to update the parameters iteratively. We eliminate the bias in directional derivatives by employing the Parameter-Shift Rule, along with techniques from Quantum Signal Processing, to construct a quantum circuit that parsimoniously computes \emph{unbiased estimates} of directional derivatives. Finally, we prove the convergence of the \texttt{SSD} algorithm, provide worst-case bounds on the number of iterations, and numerically demonstrate its efficacy.
In this study, we investigated the Variational Quantum Eigensolver (VQE) application for the Ising model as a testbed model, in which we thoroughly delved into several optimizers, both classical and quantum, and analyzed the extent to which each of these methods would offer a benefit. We then investigated a new combinatorial optimization scheme, termed QN-SPSA+PSR, in which the Fubini-Study metric is approximated within the Quantum Natural Gradient (QN) framework, with its inner gradient estimated by the Simultaneous Perturbation Stochastic Approximation (SPSA), while the outer gradient of the cost function is evaluated exactly by the Parameter-Shift Rule (PSR). The QN-SPSA+PSR method integrates the QN-SPSA computational efficiency with the precise gradient computation of the PSR, improving the stability of QN-SPSA-based and convergence speed per parameter update while maintaining low computational consumption. Our results provide a potential performance improvement in the VQAs' optimization subroutine, even in Quantum Machine Learning's optimization section, and enhance viable paths toward efficient quantum simulations on Noisy Intermediate-Scale Quantum Computing (NISQ) devices. Additionally, we also conducted a detailed study of quantum circuit ansatz structures in order to find the one that would work best with the Ising model and NISQ, in which we utilized the properties of the investigated model.
Training parameterised quantum circuits (PQCs) on quantum hardware is bottlenecked by the measurement cost of gradient estimation, which under the parameter-shift rule scales linearly in the number of trainable parameters and dominates the total shot budget of training at scale. In this work, we propose a framework of forward gradient estimators for PQCs, based on the forward mode of automatic differentiation, that yields an unbiased estimator of the gradient by averaging a freely tunable number of random directional derivatives and recovers SPSA, random coordinate descent, and the parameter-shift rule as limiting cases, with no ancilla qubits or controlled-gate overhead. We prove that stochastic quantum forward gradient descent converges under standard assumptions, with an explicit second-moment expansion that interpolates between the single-direction extreme of SPSA and the full-gradient extreme of parameter-shift. Within this framework we derive QUIVER (Quantum Iterative V-adaptive Estimator Rule), an adaptive optimiser for parameterised circuits whose update rule follows from a closed-form minimum measurement-cost allocation. We show numerically that forward gradients train Hamming-weight-preserving orthogonal quantum neural networks with up to 60 qubits and 1770 parameters on the ECG5000 and MNIST datasets orders of magnitude more efficiently than the parameter-shift rule. We also demonstrate that our proposed QUIVER optimiser can outperform iCANS and gCANS measurement-frugal optimisers on optimisation problems using the quantum approximate optimisation algorithm and quantum simulation with the variational quantum eigensolver.