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arXiv:2402.14156

Solving Maxwells Equations using Variational Quantum Imaginary Time Evolution

Nguyen, Nam, Richard J. Thompson

Published Feb 21, 2024• 0 citations
arXivHTMLPDF

Abstract

Maxwells equations are fundamental to our understanding of electromagnetic fields, but their solution can be computationally demanding, even for high-performance computing clusters. Quantum computers offer a promising alternative for solving these equations, as they can simulate larger and more complex systems more efficiently both in time and resources. In this paper we investigate the potential of using the variational quantum imaginary time evolution (VarQITE) algorithm on near-term quantum hardware to solve for the Maxwells equations. Our objective is to analyze the trade-off between the accuracy of the simulated fields and the depth of the quantum circuit required to implement the VarQITE algorithm. We demonstrate that VarQITE can efficiently approximate the solution of these equations with high accuracy, and show that its performance can be enhanced by optimizing the quantum circuit depth. Our findings suggest that VarQITE on near-term quantum devices could provide a powerful tool for solving PDEs in electromagnetics and other fields.

DOI
10.48550/arxiv.2402.14156

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Maxwells equations are fundamental to our understanding of electromagnetic fields, but their solution can be computationally demanding, even for high-performance computing clusters. Quantum computers offer a promising alternative for solving these equations, as they can simulate larger and more complex systems more efficiently both in time and resources. In this paper we investigate the potential of using the variational quantum imaginary time evolution (VarQITE) algorithm on near-term quantum hardware to solve for the Maxwells equations. Our objective is to analyze the trade-off between the accuracy of the simulated fields and the depth of the quantum circuit required to implement the VarQITE algorithm. We demonstrate that VarQITE can efficiently approximate the solution of these equations with high accuracy, and show that its performance can be enhanced by optimizing the quantum circuit depth. Our findings suggest that VarQITE on near-term quantum devices could provide a powerful tool for solving PDEs in electromagnetics and other fields.
The variational quantum imaginary time evolution (VarQITE) algorithm is a near-term method to prepare the ground state and Gibbs state of Hamiltonians. Finding an appropriate parameterization of the quantum circuit is crucial to the success of VarQITE. This work provides guidance for constructing parameterized quantum circuits according to the locality and symmetries of the Hamiltonian. Our approach can be used to implement the unitary and anti-unitary symmetries of a quantum system, which significantly reduces the depth and degree of freedom of the parameterized quantum circuits. To benchmark the proposed parameterized quantum circuits, we carry out VarQITE experiments on statistical models. Numerical results confirm that the symmetry-enhanced circuits outperform the frequently-used parametrized circuits in the literature.
The imaginary-time evolution of quantum states is integral to various fields, ranging from natural sciences to classical optimization or machine learning. Since simulating quantum imaginary-time evolution generally requires storing an exponentially large wave function, quantum computers are emerging as a promising platform for this task. However, variational approaches, suitable for near-term quantum computers, struggle with a prohibitive number of measurements and impractical runtimes for relevant system sizes. Here, we suggest a stochastic approach to variational quantum imaginary-time evolution, which allows a significant reduction in runtimes. Our approach allows trading off invested resources and accuracy, which makes it also suitable for ground state preparation, where simulating the exact dynamics is not required. We demonstrate the efficiency of our algorithm in simulations and show a hardware experiment performing the imaginary-time evolution of the transverse field Ising model on 27 qubits.
Preparing ground states of correlated molecules on near-term quantum computers requires algorithms that are both accurate and resource-efficient. We introduce the qubit-adaptive variational quantum imaginary time evolution (QAITE) algorithm, which synthesizes the systematic convergence of imaginary-time evolution with hardware-efficient, adaptive ansatz construction. By integrating the linear-scaling qubit operator pool into the adaptive variational quantum imaginary time evolution framework, QAITE deterministically constructs a compact ansatz without costly classical optimization loops. Numerical simulations for molecular systems (H4, LiH, H2O, BeH2), benchmarked against our own implementations of established adaptive algorithms under identical conditions, show that QAITE achieves chemical accuracy with a 15-45% reduction in CNOT gates compared to the standard adaptive variational quantum imaginary time evolution (AVQITE) method. For hydrogen chains (RHH = 1.5 Å, N = 6-16 qubits), QAITE's circuit complexity grows approximately quadratically and remains the lowest of the four methods at every system size, reaching 31% fewer CNOT gates than AVQITE at 16 qubits─a saving of 1322 gates. This efficiency extends to heterogeneous (LiH)n and (HBe)n chains, where QAITE maintains a CNOT gate ratio below 1 for all sizes studied (e.g., 0.81 for (LiH)2). We further show that the deterministic parameter update is numerically robust: the results are insensitive to the regularization of the quantum geometric tensor over at least 4 orders of magnitude, and chemical accuracy is retained under realistic shot noise applied to both the quantum geometric tensor and the force vector. By outperforming established adaptive algorithms in both absolute gate count and scaling, QAITE establishes a promising, scalable pathway for quantum molecular simulations on noisy intermediate-scale quantum devices.
The matrix product state (MPS) Ansatz offers a promising approach for finding the ground state of molecular Hamiltonians and solving quantum chemistry problems. Building on this concept, the proposed technique of quantum circuit MPS (QCMPS) enables the simulation of chemical systems using a relatively small number of qubits. In this study, we enhance the optimization performance of the QCMPS Ansatz by employing the variational quantum imaginary time evolution (VarQITE) approach. Guided by McLachlan's variational principle, the VarQITE method provides analytical metrics and gradients, resulting in improved convergence efficiency and robustness of the QCMPS. We validate these improvements numerically through simulations of H2, H4, and LiH molecules. In addition, given that VarQITE is applicable to non-Hermitian Hamiltonians, we evaluate its effectiveness in preparing the ground state of transcorrelated Hamiltonians. This approach yields energy estimates comparable to the complete basis set (CBS) limit while using even fewer qubits. In particular, we perform simulations of the beryllium atom and LiH molecule using only three qubits, maintaining high fidelity with the CBS ground state energy of these systems. This qubit reduction is achieved through the combined advantages of both the QCMPS Ansatz and transcorrelation. Our findings demonstrate the potential practicality of this quantum chemistry algorithm on near-term quantum devices.
Parameterized quantum circuits are a promising technology for achieving a quantum advantage. An important application is the variational simulation of time evolution of quantum systems. To make the most of quantum hardware, variational algorithms need to be as hardware-efficient as possible. Here we present alternatives to the time-dependent variational principle that are hardware-efficient and do not require matrix inversion. In relation to imaginary time evolution, our approach significantly reduces the hardware requirements. With regards to real time evolution, where high precision can be important, we present algorithms of systematically increasing accuracy and hardware requirements. We numerically analyze the performance of our algorithms using quantum Hamiltonians with local interactions.
Abstract Variational quantum imaginary time evolution (VQITE) is a leading technique for ground state preparation on quantum computers. A significant computational challenge of VQITE is the determination of the quantum geometric tensor. We show that requiring the imaginary-time evolution to be correct only when projected onto a chosen set of operators allows to achieve a twofold reduction in circuit depth by bypassing fidelity estimations, and reduces measurement complexity from quadratic to linear in the number of parameters. We demonstrate by a simulation of the transverse-field Ising model that our algorithm achieves a several orders of magnitude improvement in the number of measurements required for the same accuracy.