Optimality of Finite-Support Parameter Shift Rules for Derivatives of Variational Quantum Circuits

Abstract

Variational (or, parameterized) quantum circuits are quantum circuits that contain real-number parameters, that need to be optimized/"trained" in order to achieve the desired quantum-computational effect. For that training, analytic derivatives (as opposed to numerical derivation) are useful. Parameter shift rules have received attention as a way to obtain analytic derivatives, via statistical estimators. In this paper, using Fourier Analysis, we characterize the set of all shift rules that realize a given fixed partial derivative of a multi-parameter VQC. Then, using Convex Optimization, we show how the search for the shift rule with smallest standard deviation leads to a primal-dual pair of convex optimization problems. We study these optimization problems theoretically, prove a strong duality theorem, and use it to establish optimal dual solutions for several families of VQCs. This also proves optimality for some known shift rules and answers the odd open question. As a byproduct, we demonstrate how optimal shift rules can be found efficiently computationally, and how the known optimal dual solutions help with that.