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AIP Advances

Enhancing computational accuracy with parallel parameter optimization in variational quantum eigensolver

Daisuke Tsukayama, Jun‐ichi Shirakashi, Tetsuo Shibuya, Hiroshi Imai

Published Jan 1, 2025• 8 citations
Publisher

Abstract

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.

DOI
10.1063/5.0236028

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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.
Variational quantum algorithms (VQAs) offer the most promising path to obtaining quantum advantages via noisy intermediate-scale quantum (NISQ) processors. Such systems leverage classical optimization to tune the parameters of a parameterized quantum circuit (PQC). The goal is minimizing a cost function that depends on measurement outputs obtained from the PQC. Optimization is typically implemented via stochastic gradient descent (SGD). On NISQ computers, gate noise due to imperfections and decoherence affects the stochastic gradient estimates by introducing a bias. Quantum error mitigation (QEM) techniques can reduce the estimation bias without requiring any increase in the number of qubits, but they in turn cause an increase in the variance of the gradient estimates. This work studies the impact of quantum gate noise on the convergence of SGD for the variational eigensolver (VQE), a fundamental instance of VQAs. The main goal is ascertaining conditions under which QEM can enhance the performance of SGD for VQEs. It is shown that quantum gate noise induces a nonzero error-floor on the convergence error of SGD (evaluated with respect to a reference noiseless PQC), which depends on the number of noisy gates, the strength of the noise, as well as the eigenspectrum of the observable being measured and minimized. In contrast, with QEM, any arbitrarily small error can be obtained. Furthermore, for error levels attainable with or without QEM, QEM can reduce the number of required iterations, but only as long as the quantum noise level is sufficiently large, and a sufficiently large number of measurements is allowed at each SGD iteration. Numerical examples for a max-cut problem corroborate the main theoretical findings.
Despite the advantage quantum computers are expected to deliver when performing simulations compared to their classical counterparts, the current noisy intermediate-scale quantum (NISQ) devices remain limited in their capabilities. The training of parameterized quantum circuits (PQCs) remains a significant practical challenge, exacerbated by the requirement of shallow circuit depth necessary for their hardware implementation. Hybrid methods employing classical computers alongside quantum devices, such as the Variational Quantum Eigensolver (VQE), have proven useful for analyzing the capabilities of NISQ devices to solve relevant optimization problems. Still, in the simulation of complex structures involving the many-body problem in quantum mechanics, major issues remain about the representation of the system and obtaining results which clearly outperform classical computational devices. In this research contribution we propose the use of parameterized Tensor Networks (TNs) to attempt an improved performance of the VQE algorithm. A joint approach is presented where the Hamiltonian of a system is encapsulated into a Matrix Product Operator (MPO) within a parameterized unitary TN hereby splitting up the optimization task between the TN and the VQE. We show that the hybrid TN-VQE implementation improves the convergence of the algorithm in comparison to optimizing randomly-initialized quantum circuits via VQE.
The current state of quantum processing units (QPU) is characterized by Noisy Intermediate-Scale Quantum (NISQ) devices. Among the methods to utilize NISQ devices, the Variational Quantum Eigensolver (VQE) is prominent for finding ground state energy of quantum systems. However, VQE parameter optimization is NP-Hard, posing significant challenges. To address this, we introduce the CoolMomentum method, a global optimization approach based on Langevin dynamics with Simulated Annealing. We compared CoolMomentum with ADAM, SPSA, and NFT in VQE using a random weighted Max-Cut problem for up to 20 qubits. Our results confirm that CoolMomentum consistently outperforms the other methods. ADAM and SPSA tend to get trapped in local minima or exhibit infeasible optimization durations, whereas NFT, despite its fast convergence, also suffers from local minima. In contrast, CoolMomentum demonstrates higher accuracy and robustness across various numbers of qubits, highlighting its potential as a superior optimization strategy for VQE.
The variational quantum eigensolver (VQE), which is a quantum–classical hybrid approach, has latent powers to leverage near-term quantum devices by effectively managing a limited number of qubits with finite coherent lifetimes. While it is generally argued that the quantum approximate optimization algorithm (QAOA), which is a special case of VQE with a variational Ansatz based on the adiabatic theorem, may enable practical applications of noisy quantum devices for classical combinatorial optimizations, the strategy to improve the performance of this algorithm by increasing the circuit depth conflicts with the limited coherence time of near-term quantum devices. Here, we introduce strategies involving the VQE to reduce the circuit resources required for solving combinatorial optimizations. Our concept of a parameterized quantum circuit allows the Ansatz preparation to be achieved by only single-qubit operation. We find that the variational Ansatz without controlled X-gates leads to quick convergence in a classical subroutine used to determine the variational parameters. In addition, the variational Ansatz with optimized parameters maintains performance over the problem sizes both on the numerical simulation and IBM 27-qubit processor “ibm_kawasaki.” Therefore, the variational Ansatz introduced in this study has several advantages considering the total calculation time and performance scaling over the problem sizes. We also show that the variational Ansatz consisting of a lower number of gate operations than that of QAOA can approximate the eigenstates of diagonal Hamiltonians with high accuracy. We illustrate our ideas with a maximum-cut problem and show that near-term quantum applications may be feasible using short-depth circuits.
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.
In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.