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arXiv:2012.00101 · Machine Learning Science and Technology

Natural evolutionary strategies for variational quantum computation

Abhinav Anand, Matthias Degroote, Alán Aspuru‐Guzik

Published Mar 30, 2021• 40 citations
arXivHTMLPDF

Abstract

Abstract Natural evolutionary strategies (NES) are a family of gradient-free black-box optimization algorithms. This study illustrates their use for the optimization of randomly initialized parameterized quantum circuits (PQCs) in the region of vanishing gradients. We show that using the NES gradient estimator the exponential decrease in variance can be alleviated. We implement two specific approaches, the exponential and separable NES, for parameter optimization of PQCs and compare them against standard gradient descent. We apply them to two different problems of ground state energy estimation using variational quantum eigensolver and state preparation with circuits of varying depth and length. We also introduce batch optimization for circuits with larger depth to extend the use of ES to a larger number of parameters. We achieve accuracy comparable to state-of-the-art optimization techniques in all the above cases with a lower number of circuit evaluations. Our empirical results indicate that one can use NES as a hybrid tool in tandem with other gradient-based methods for optimization of deep quantum circuits in regions with vanishing gradients.

DOI
10.1088/2632-2153/abf3ac

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Abstract Natural evolutionary strategies (NES) are a family of gradient-free black-box optimization algorithms. This study illustrates their use for the optimization of randomly initialized parameterized quantum circuits (PQCs) in the region of vanishing gradients. We show that using the NES gradient estimator the exponential decrease in variance can be alleviated. We implement two specific approaches, the exponential and separable NES, for parameter optimization of PQCs and compare them against standard gradient descent. We apply them to two different problems of ground state energy estimation using variational quantum eigensolver and state preparation with circuits of varying depth and length. We also introduce batch optimization for circuits with larger depth to extend the use of ES to a larger number of parameters. We achieve accuracy comparable to state-of-the-art optimization techniques in all the above cases with a lower number of circuit evaluations. Our empirical results indicate that one can use NES as a hybrid tool in tandem with other gradient-based methods for optimization of deep quantum circuits in regions with vanishing gradients.
Recent research has demonstrated that parametric quantum circuits (PQCs) are affected by gradients that progressively vanish to zero as a function of the number of qubits. We show that using a combination of gradient-free natural evolutionary strategy and gradient descent can mitigate the possibility of optimizing barren plateaus in the landscape. We implemented 2 specific methods: natural evolutionary strategy stochastic gradient descent (NESSGD) and natural evolutionary strategy adapting the step size according to belief in observed gradients (NESAdaBelief) to optimize PQC parameter values. They were compared with standard stochastic gradient descent, adaptive moment estimation, and a version of adaptive moment estimation adapting the step size according to belief in observed gradients in 5 classification tasks. NESSGD and NESAdaBelief demonstrated some superiority in 4 of the tasks. NESAdaBelief showed higher accuracy than AdaBelief in all 5 tasks. In addition, we investigated the applicability of NESSGD under the parameter shift rule and demonstrated that NESSGD can adapt to this rule, which means that our proposed method could also optimize the parameters of PQCs on quantum computers.
Variational quantum algorithms (VQAs) have emerged as the leading strategy for using these noisy devices to achieve an advantage over their classical counterparts.VQAs use a hybrid quantum-classical framework, in which one employs the quantum computer to prepare a parameterized quantum state and outsource the optimization to a classical subroutine. VQAs have been proposed for applications in various fields, including physics, quantum chemistry, machine learning, and optimization. Nevertheless, many challenges must be addressed before we can use them for practical tasks. In this dissertation, we propose strategies to overcome some challenges in implementing VQAs. We first look at the issue of trainability for VQAs and propose three methods for optimizing them.The first method is based on natural evolutionary strategies (NES) and can alleviate the issue of vanishing gradients for randomly initialized parameterized quantum circuits (PQCs). The second method is based on the notion of information flow in PQCs and uses a mutual information-based distance metric to define paths for stochastic optimization of VQAs. Finally, we develop gradient evaluation procedures for optimizing objectives with the unitary coupled-cluster ansatz. Next, we study the issue of expressibility of PQCs used in variational algorithms.First, using the theory of quantum optimal control we define a notion of reachability of general ans\"atze used in VQAs. Next, using a variational autoencoder (VAE) coupled with a regression model, we try to gain a better understanding of the parameterization of PQCs. Finally, we attempt to remedy the inefficient usage of quantum resources for storing quantum data using evolutionary strategies to design quantum circuits for compressing quantum data. We present numerical evidence that the work presented here can increase trainability, efficiency, and understanding of VQAs.We believe our work is of interest to the quantum computing community as we continue to push the limits of NISQ devices for solving practical problems.
Variational Quantum Algorithms (VQAs) employ quantum circuits parameterized by UUU, optimized using classical methods to minimize a cost function. While VQAs have found broad applications, certain challenges persist. Notably, a significant computational burden arises during parameter optimization. The prevailing ``parameter shift rule'' mandates a double evaluation of the cost function for each parameter. In this article, we introduce a novel optimization approach named ``Learning to Learn with an Evolutionary Strategy'' (LLES). LLES unifies ``Learning to Learn'' and ``Evolutionary Strategy'' methods. ``Learning to Learn'' treats optimization as a learning problem, utilizing recurrent neural networks to iteratively propose VQA parameters. Conversely, ``Evolutionary Strategy'' employs gradient searches to estimate function gradients. Our optimization method is applied to two distinct tasks: determining the ground state of an Ising Hamiltonian and training a quantum neural network. Results underscore the efficacy of this novel approach. Additionally, we identify a key hyperparameter that significantly influences gradient estimation using the ``Evolutionary Strategy'' method.
Variational quantum algorithms are viewed as promising candidates for demonstrating quantum advantage on near-term devices. These approaches typically involve the training of parameterized quantum circuits through a classical optimization loop. However, they often encounter challenges attributed to the exponentially diminishing gradient components, known as the barren plateau (BP) problem. This work introduces a novel optimization approach designed to alleviate the adverse effects of BPs during circuit training. In contrast to conventional gradient descent methods with a small learning parameter, our approach relies on making a finite hops along the search direction determined on a randomly chosen subsets of the free parameters. The optimization search direction, together with the range of the search, is determined by the distant features of the cost-function landscape. This enables the optimization path to navigate around barren plateaus without the need for external control mechanisms. We have successfully applied our optimization strategy to quantum circuits comprising 21 qubits and 15000 entangling gates, demonstrating robust resistance against BPs. Additionally, we have extended our optimization strategy by incorporating an evolutionary selection framework, enhancing its ability to avoid local minima in the landscape. The modified algorithm has been successfully utilized in quantum gate synthesis applications, showcasing a significantly improved efficiency in generating highly compressed quantum circuits compared to traditional gradient-based optimization approaches.
We apply a hybrid evolutionary algorithm to minimize the depth of circuits in quantum computing. More specifically, we evaluate two different variants of the algorithm. In the first approach, we combine the evolutionary algorithm with an optimization subroutine to optimize the parameters of the rotation gates present in the quantum circuit. In the second, the algorithm solely relies on evolutionary operations (i.e., mutations and crossover). We approach the problem from two sides: (1) constructing circuits from the ground up by starting with random initializations and (2) initializing individuals with a target circuit in order to optimize it further according to the fitness function. We run experiments on random circuits with 4 and 6 qubits varying in circuit depth. Our results show that the proposed methods are able to significantly reduce the depth of circuits while still retaining a high fidelity to the target state.
Variational quantum algorithms (VQAs) employ parametrized quantum circuits optimized using classical methods to minimize a cost function. While VQAs have found broad applications, certain challenges persist. Notably, a significant computational burden arises during parameter optimization. The prevailing ``parameter shift rule'' mandates a double evaluation of the cost function for each parameter. In this paper, we introduce an optimization approach named ``learning to learn with an evolutionary strategy'' (LLES). LLES unifies ``learning to learn'' and ``evolutionary strategy'' methods. Learning to learn treats optimization as a learning problem, utilizing recurrent neural networks to iteratively propose VQA parameters. Conversely, evolutionary strategy employs gradient searches to estimate function gradients. Our optimization method is applied to two distinct tasks: determining the ground state of an Ising Hamiltonian and training a quantum neural network. The obtained results underscore the efficacy of this approach. Additionally, we identify a key hyperparameter that significantly influences gradient estimation using the evolutionary strategy method.