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arXiv:2303.07082 · Physical Review Research

Optimal parameter configurations for sequential optimization of the variational quantum eigensolver

Katsuhiro Endo, Yuki Sato, Rudy Raymond, Kaito Wada, Naoki Yamamoto, Hiroshi C Watanabe

Published Nov 9, 2023• 7 citations
arXivHTMLPDF

Abstract

The variational quantum eigensolver (VQE) is a hybrid algorithm to find the minimum eigenvalue/vector of the given Hamiltonian by optimizing a parameterized quantum circuit (PQC) using a classical computer. Sequential optimization methods, which are often used in quantum circuit tensor networks, are popular for optimizing the parameterized gates of PQCs. In this paper, we focus on the case where the components to be optimized are single-qubit gates, in which the analytic optimization of a single-qubit gate is sequentially performed. The analytical solution is given by diagonalization of a matrix whose elements are computed from the expectation values of observables specified by a set of predetermined parameters, which we refer to as the parameter configurations. In this paper, we first show that the optimization accuracy significantly depends on the choice of parameter configurations owing to the statistical errors in the expectation values. We then identify a metric that quantifies the optimization accuracy of a parameter configuration for all possible statistical errors, named configuration overhead/cost or C-cost. We theoretically provide the lower bound of C-cost and show that, for the minimum size of parameter configurations, the lower bound is achieved if and only if the parameter configuration satisfies the so-called equiangular line condition. Finally, we provide numerical experiments demonstrating that the optimal parameter configuration exhibits the best result in several VQE problems. We hope that this general statistical methodology will enhance the efficacy of sequential optimization of PQCs for solving practical problems with near-term quantum devices.

DOI
10.1103/physrevresearch.5.043136

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The variational quantum eigensolver (VQE) is a hybrid algorithm to find the minimum eigenvalue/vector of the given Hamiltonian by optimizing a parameterized quantum circuit (PQC) using a classical computer. Sequential optimization methods, which are often used in quantum circuit tensor networks, are popular for optimizing the parameterized gates of PQCs. In this paper, we focus on the case where the components to be optimized are single-qubit gates, in which the analytic optimization of a single-qubit gate is sequentially performed. The analytical solution is given by diagonalization of a matrix whose elements are computed from the expectation values of observables specified by a set of predetermined parameters, which we refer to as the parameter configurations. In this paper, we first show that the optimization accuracy significantly depends on the choice of parameter configurations owing to the statistical errors in the expectation values. We then identify a metric that quantifies the optimization accuracy of a parameter configuration for all possible statistical errors, named configuration overhead/cost or C-cost. We theoretically provide the lower bound of C-cost and show that, for the minimum size of parameter configurations, the lower bound is achieved if and only if the parameter configuration satisfies the so-called equiangular line condition. Finally, we provide numerical experiments demonstrating that the optimal parameter configuration exhibits the best result in several VQE problems. We hope that this general statistical methodology will enhance the efficacy of sequential optimization of PQCs for solving practical problems with near-term quantum devices.
Variational quantum algorithms have promising applications in noisy intermediate-scale quantum (NISQ) devices. These algorithms rely on a classical optimization outer loop that minimizes a parameterized quantum circuit function. The optimization in variational quantum eigensolver (VQE) is NP-hard, meaning that finding the optimal solution is infeasible in the worst-case scenario. One way to address this challenge is through parallel optimization of parameters using multiple-parameterized quantum circuits. However, this approach is unsuitable for cloud-based quantum processing unit utilization due to the increased number of quantum circuit executions. Although NISQ devices have limitations in terms of gate depth, their size has been growing in recent years. Therefore, implementing multiple-parameterized quantum circuits in NISQ devices can suppress the increase in the number of executions. In this study, we propose a parallel-VQE, which leverages the parallel execution of parameterized quantum circuits to perform parallel parameter optimization in VQE, achieving convergence to solutions closer to the ground state. We validate the effectiveness of parallel-VQE in solving the random weighted max-cut problem using numerical simulations and a real quantum device. We present the results of running up to six circuits in parallel (120 qubits) and demonstrate the advantages of using multiple units to improve computational accuracy. This study provides a potential method for solving eigenvalue problems and combinatorial optimization problems for future quantum devices.
Abstract In variational quantum algorithms, it is important to balance conflicting requirements of expressibility and trainability of a parameterized quantum circuit (PQC). However, appropriate PQC designs are not necessarily trivial. Here, we propose an algorithm for optimizing the PQC structure, where single-qubit gates are sequentially replaced by the optimal ones via diagonalization of a matrix whose elements are evaluated on slightly modified circuits. This replacement leads to a better approximation of target states with limited circuit depth. Furthermore, we clarify the existence of a barren plateau in the sequential optimization in terms of the spectrum concentration of the matrix, which defines the cost landscape with respect to changes in the target gate. Then, we rigorously show the concentration is no faster than polynomials in the number of qubits when an nnn-qubit PQC depth is O(log⁡n)O(\log{n})O(logn) using local observables. Finally, numerical experiments are provided to show the convergence of our method which is faster than gradient-based optimizers. Our results provide evidences for sequential optimizers as better alternatives to optimize PQCs on near-term quantum devices.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization problem is in general nonconvex, the method can converge to suboptimal parameter values that do not yield the minimum eigenvalue. In this work, we address this shortcoming by adopting the concept of variational adiabatic quantum computing (VAQC) as a procedure to improve VQE. In VAQC, the ground state of a continuously parameterized Hamiltonian is approximated via a parameterized quantum circuit. We discuss some basic theory of VAQC to motivate the development of a hybrid quantum-classical homotopy continuation method. The proposed method has parallels with a predictor-corrector method for numerical integration of differential equations. While there are theoretical limitations to the procedure, we see in practice that VAQC can successfully find good initial circuit parameters to initialize VQE. We demonstrate this with two examples from quantum chemistry. Through these examples, we provide empirical evidence that VAQC, combined with other techniques (an adaptive termination criteria for the classical optimizer and a variance-based resampling method for the expectation evaluation), can provide more accurate solutions than “plain” VQE, for the same amount of effort.
The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to a variety of issues including barren plateaus, optimization in the presence of noise, and slow convergence. While simulating quantum circuits classically is generically difficult, classical computing methods have been developed extensively, and powerful tools now exist to approximately simulate quantum circuits. This opens up various strategies that limit the amount of optimization that needs to be performed on quantum hardware. Here we present and benchmark an approach where we find good starting parameters for parameterized quantum circuits by classically simulating VQE by approximating the parameterized quantum circuit (PQC) as a matrix product state (MPS) with a limited bond dimension. Calling this approach the variational tensor network eigensolver (VTNE), we apply it to the 1D and 2D Fermi-Hubbard model with system sizes that use up to 32 qubits. We find that in 1D, VTNE can find parameters for PQC whose energy error is within 0.5% relative to the ground state. In 2D, the parameters that VTNE finds have significantly lower energy than their starting configurations, and we show that starting VQE from these parameters requires non-trivially fewer operations to come down to a given energy. The higher the bond dimension we use in VTNE, the less work needs to be done in VQE. By generating classically optimized parameters as the initialization for the quantum circuit one can alleviate many of the challenges that plague VQE on quantum computers.
We propose a sequential minimal optimization method for quantum-classical hybrid algorithms, which converges faster, robust against statistical error, and hyperparameter-free.Specifically, the optimization problem of the parameterized quantum circuits is divided into solvable subproblems by considering only a subset of the parameters.In fact, if we choose a single parameter, the cost function becomes a simple sine curve with period 2π , and hence we can exactly minimize with respect to the chosen parameter.Furthermore, even in general cases, the cost function is given by a simple sum of trigonometric functions with certain periods and hence can be minimized by using a classical computer.By repeatedly performing this procedure, we can optimize the parameterized quantum circuits so that the cost function becomes as small as possible.We perform numerical simulations and compare the proposed method with existing gradient-free and gradient-based optimization algorithms.We find that the proposed method substantially outperforms the existing optimization algorithms and converges to a solution almost independent of the initial choice of the parameters.This accelerates almost all quantum-classical hybrid algorithms readily and would be a key tool for harnessing near-term quantum devices.
The Variational Quantum Eigensolver (VQE) algorithm is gaining interest for its potential use in near-term quantum devices. In the VQE algorithm, parameterized quantum circuits (PQCs) are employed to prepare quantum states, which are then utilized to compute the expectation value of a given Hamiltonian. Designing efficient PQCs is crucial for improving convergence speed. In this study, we introduce problem-specific PQCs tailored for optimization problems by dynamically generating PQCs that incorporate problem constraints. This approach reduces a search space by focusing on unitary transformations that benefit the VQE algorithm, and accelerate convergence. Our experimental results demonstrate that the convergence speed of our proposed PQCs outperforms state-of-the-art PQCs, highlighting the potential of problem-specific PQCs in optimization problems.