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arXiv:1909.09083 · Quantum

An Adaptive Optimizer for Measurement-Frugal Variational Algorithms

Jonas M. Kübler, Andrew Arrasmith, Lukasz Cincio, Patrick J. Coles

Published May 11, 2020• 140 citations
arXivHTMLPDF

Abstract

Variational hybrid quantum-classical algorithms (VHQCAs) have the potential to be useful in the era of near-term quantum computing. However, recently there has been concern regarding the number of measurements needed for convergence of VHQCAs. Here, we address this concern by investigating the classical optimizer in VHQCAs. We introduce a novel optimizer called individual Coupled Adaptive Number of Shots (iCANS). This adaptive optimizer frugally selects the number of measurements (i.e., number of shots) both for a given iteration and for a given partial derivative in a stochastic gradient descent. We numerically simulate the performance of iCANS for the variational quantum eigensolver and for variational quantum compiling, with and without noise. In all cases, and especially in the noisy case, iCANS tends to out-perform state-of-the-art optimizers for VHQCAs. We therefore believe this adaptive optimizer will be useful for realistic VHQCA implementations, where the number of measurements is limited.

DOI
10.22331/q-2020-05-11-263

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Variational hybrid quantum-classical algorithms (VHQCAs) have the potential to be useful in the era of near-term quantum computing. However, recently there has been concern regarding the number of measurements needed for convergence of VHQCAs. Here, we address this concern by investigating the classical optimizer in VHQCAs. We introduce a novel optimizer called individual Coupled Adaptive Number of Shots (iCANS). This adaptive optimizer frugally selects the number of measurements (i.e., number of shots) both for a given iteration and for a given partial derivative in a stochastic gradient descent. We numerically simulate the performance of iCANS for the variational quantum eigensolver and for variational quantum compiling, with and without noise. In all cases, and especially in the noisy case, iCANS tends to out-perform state-of-the-art optimizers for VHQCAs. We therefore believe this adaptive optimizer will be useful for realistic VHQCA implementations, where the number of measurements is limited.
Variational Quantum Algorithms (VQAs) are a promising approach for practical applications like chemistry and materials science on near-term quantum computers as they typically reduce quantum resource requirements. However, in order to implement VQAs, an efficient classical optimization strategy is required. Here we present a new stochastic gradient descent method using an adaptive number of shots at each step, called the global Coupled Adaptive Number of Shots (gCANS) method, which improves on prior art in both the number of iterations as well as the number of shots required. These improvements reduce both the time and money required to run VQAs on current cloud platforms. We analytically prove that in a convex setting gCANS achieves geometric convergence to the optimum. Further, we numerically investigate the performance of gCANS on some chemical configuration problems. We also consider finding the ground state for an Ising model with different numbers of spins to examine the scaling of the method. We find that for these problems, gCANS compares favorably to all of the other optimizers we consider.
Quantum chemistry is a near-term application for quantum computers. This application may be facilitated by variational quantum-classical algorithms (VQCAs), although a concern for VQCAs is the large number of measurements needed for convergence, especially for chemical accuracy. Here we introduce a strategy for reducing the number of measurements (i.e., shots) by randomly sampling operators hih_ihi​ from the overall Hamiltonian H=∑icihiH = \sum_i c_i h_iH=∑i​ci​hi​. In particular, we employ weighted sampling, which is important when the cic_ici​'s are highly non-uniform, as is typical in chemistry. We integrate this strategy with an adaptive optimizer developed recently by our group to construct an improved optimizer called Rosalin (Random Operator Sampling for Adaptive Learning with Individual Number of shots). Rosalin implements stochastic gradient descent while adapting the shot noise for each partial derivative and randomly assigning the shots amongst the hih_ihi​ according to a weighted distribution. We implement this and other optimizers to find the ground states of molecules H2_22​, LiH, and BeH2_22​, without and with quantum hardware noise, and Rosalin outperforms other optimizers in most cases.
Efficient classical optimizers are crucial in practical implementations of Variational Quantum Algorithms (VQAs). In particular, to make Stochastic Gradient Descent (SGD) resource efficient, adaptive strategies have been proposed to determine the number of measurement shots used to estimate the gradient. However, existing strategies overlook the overhead that occurs in each iteration. In terms of wall-clock runtime, significant circuit-switching and communication latency can slow the optimization process when using a large number of iterations. In terms of economic cost when using cloud services, per-task prices can become significant. To address these issues, we present an adaptive strategy that balances the number of shots in each iteration to maximize expected gain per unit time or cost by explicitly taking into account the overhead. Our approach can be applied to not only to the simple SGD but also its variants, including Adam. Numerical simulations show that our adaptive shot strategy is actually efficient for Adam, outperforming many existing state-of-the-art adaptive shot optimizers. However, this is not the case for the simple SGD. When focusing on the number of shots as the resource, our adaptive-shots Adam with zero-overhead also outperforms existing optimizers.
Quantum enhanced optimization of classical cost functions is a central theme of quantum computing due to its high potential value in science and technology. The variational quantum eigensolver (VQE) and the quantum approximate optimization algorithm (QAOA) are popular variational approaches that are considered the most viable solutions in the noisy-intermediate scale quantum (NISQ) era. Here, we study the scaling of the quantum resources, defined as the required number of circuit repetitions, to reach a fixed success probability as the problem size increases, focusing on the role played by measurement shot noise, which is unavoidable in realistic implementations. Simple and reproducible problem instances are addressed, namely, the ferromagnetic and disordered Ising chains. Our results show that: (1) VQE with the standard heuristic Ansatz scales comparably to direct brute-force search when energy-based optimizers are employed. The performance improves at most quadratically using a gradient-based optimizer. (2) When the parameters are optimized from random guesses, also the scaling of QAOA implies problematically long absolute runtimes for large problem sizes. (3) QAOA becomes practical when supplemented with a physically inspired initialization of the parameters. Our results suggest that hybrid quantum-classical algorithms should possibly avoid a brute force classical outer loop, but focus on smart parameters initialization.
Hybrid quantum-classical adaptive Variational Quantum Eigensolvers (VQE) hold the potential to outperform classical computing for simulating many-body quantum systems. However, practical implementations on current quantum processing units (QPUs) are challenging due to the noisy evaluation of a polynomially scaling number of observables, undertaken for operator selection and high-dimensional cost function optimization. We introduce an adaptive algorithm using analytic, gradient-free optimization, called Greedy Gradient-free Adaptive VQE (GGA-VQE). In addition to demonstrating the algorithm's improved resilience to statistical sampling noise in the computation of simple molecular ground states, we execute GGA-VQE on a 25-qubit error-mitigated QPU by computing the ground state of a 25-body Ising model. Although hardware noise on the QPU produces inaccurate energies, our implementation outputs a parameterized quantum circuit yielding a favorable ground-state approximation. We demonstrate this by retrieving the parameterized operators calculated on the QPU and evaluating the resulting ansatz wave-function via noiseless emulation (i.e., hybrid observable measurement).
We introduce SantaQlaus, a resource-efficient optimization algorithm tailored for variational quantum algorithms (VQAs), including applications in the variational quantum eigensolver (VQE) and quantum machine learning (QML). Classical optimization strategies for VQAs are often hindered by the complex landscapes of local minima and saddle points. Although some existing quantum-aware optimizers adaptively adjust the number of measurement shots, their primary focus is on maximizing gain per iteration rather than strategically utilizing quantum shot-noise (QSN) to address these challenges. Inspired by the classical Stochastic AnNealing Thermostats with Adaptive momentum (Santa) algorithm, SantaQlaus explicitly leverages inherent QSN for optimization. The algorithm dynamically adjusts the number of quantum measurement shots in an annealing framework: fewer shots are allocated during the early, high-temperature stages for efficient resource utilization and landscape exploration, while more shots are employed later for enhanced precision. Numerical simulations on VQE and QML demonstrate that SantaQlaus outperforms existing optimizers, particularly in mitigating the risks of converging to poor local optima, all while maintaining shot efficiency. This paves the way for efficient and robust training of quantum variational models.