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Dynamic Variational Quantum Eigensolver: Incorporating Time-evolution for Ansatz Design and Ground State Simulation

Rui Wang, Run-Sheng Zhao, Yuxin Ji, Tao Cheng, Xingkui Fan, Hongyang Ma

Published Apr 19, 2024• 0 citations
Publisher

Abstract

Abstract Variational Quantum Eigensolver (VQE) addresses challenges that conventional computation struggles to overcome. However, VQE lacks the ability to autonomously trend towards the direction of quantum advantage, leading to unnecessary consumption of time and resources during parameter optimization. In this work, we present a Simulating Dynamic VQE (D-VQE) that incorporates time evolution for achieving desired simulation accuracy and parameter optimization. Introducing causal cones for Parameterized Quantum Circuits (PQC) and establishing dynamic judgment rules. Consequently, we can reduce the overstacking of components in PQC ansatz. Based on the requirements of precision and circuit scale, a reasonable operator pool is set to deal with the parameters. Through numerical experiments, our method effectively simulates the search for the ground state in the transverse-field Ising model, achieving a relative energy error below 10^(-3) and improving ground state approximation capability. Moreover, in the context of optimized Boltzmann machine learning, the Kullback-Leibler divergence (KLD) value converges to 0.03. These results prove that our work provides an effective and feasible consideration for the improvement of variational quantum algorithms.

DOI
10.21203/rs.3.rs-4269684/v1

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Abstract Variational Quantum Eigensolver (VQE) addresses challenges that conventional computation struggles to overcome. However, VQE lacks the ability to autonomously trend towards the direction of quantum advantage, leading to unnecessary consumption of time and resources during parameter optimization. In this work, we present a Simulating Dynamic VQE (D-VQE) that incorporates time evolution for achieving desired simulation accuracy and parameter optimization. Introducing causal cones for Parameterized Quantum Circuits (PQC) and establishing dynamic judgment rules. Consequently, we can reduce the overstacking of components in PQC ansatz. Based on the requirements of precision and circuit scale, a reasonable operator pool is set to deal with the parameters. Through numerical experiments, our method effectively simulates the search for the ground state in the transverse-field Ising model, achieving a relative energy error below 10^(-3) and improving ground state approximation capability. Moreover, in the context of optimized Boltzmann machine learning, the Kullback-Leibler divergence (KLD) value converges to 0.03. These results prove that our work provides an effective and feasible consideration for the improvement of variational quantum algorithms.
The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum circuits using a classical optimizer to approximate the eigenvalues and eigenstates of a given Hamiltonian. However, VQE faces challenges in task-specific design and machine-specific architecture, particularly when running on noisy quantum devices. This can have a negative impact on its trainability, accuracy, and efficiency, resulting in noisy quantum data. We propose variational denoising, an unsupervised learning method that employs a parameterized quantum neural network to improve the solution of VQE by learning from noisy VQE outputs. Our approach can significantly decrease energy estimation errors and increase fidelities with ground states compared to noisy input data for the H2 , LiH, and BeH2 molecular Hamiltonians and the transverse field Ising model. Surprisingly, it only requires noisy data for training. Variational denoising can be integrated into quantum hardware, increasing its versatility as an end-to-end quantum processing for quantum data. Published by the American Physical Society 2024
Abstract In this study, we study the Variational Quantum Eigensolver (VQE) application for the Ising model as a test bed model, in which we pivotally delved into several optimization methods, both classical and quantum, and analyzed the quantum advantage that each of these methods offered, and then we proposed a new combinatorial optimization scheme, deemed as QN-SPSA+PSR which combines calculating approximately Fubini-study metric (QN-SPSA) and the exact evaluation of gradient by Parameter-Shift Rule (PSR). The QN-SPSA+PSR method integrates the QN-SPSA computational efficiency with the precise gradient computation of the PSR, improving both stability and convergence speed while maintaining low computational consumption. Our results provide a new potential quantum supremacy in the VQAs's optimization subroutine, even in Quantum Machine Learning's optimization section, and enhance viable paths toward efficient quantum simulations on Noisy Intermediate-Scale Quantum Computing (NISQ) devices. Additionally, we also conducted a detailed study of quantum circuit ansatz structures in order to find the one that would work best with the Ising model and NISQ, in which we utilized the properties of the investigated model.
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.
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.
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.
This paper explores the potential of Variational Quantum Eigensolvers (VQEs) for simulating classical dynamical systems. Traditional numerical methods for simulating dynamical systems often struggle with complex systems exhibiting sparse interactions or requiring high computational resources. We propose a novel algorithm that utilizes the optimization capabilities of VQEs to approximate the time evolution of these systems. The core idea is to map the system's state vector onto a qubit representation and then iteratively minimize the energy functional derived from the dynamical system's equations, effectively simulating the system's evolution. We specifically target systems with sparse interactions, where the optimization landscape is expected to be more amenable to VQE's strengths. This approach offers a potentially scalable solution for simulating dynamical systems on near-term quantum computers. This work demonstrates the feasibility of employing VQEs as a tool for tackling previously intractable problems in fields such as molecular dynamics, fluid dynamics, and chaos theory.