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IET Quantum Communication

Quantum finite difference solvers for physics simulation

Anthony Chagneau, Laëticia Nathoo, Jérémy Alloul, Bertrand Gabriel

Published Mar 3, 2023• 4 citations
Publisher

Abstract

Abstract Physics systems are becoming increasingly complex and require more and more computing time. Quantum computing, which has shown its efficiency on some problems, such as the factorisation of a number with Shor's algorithm, may be the solution to reduce these computation times. Here, the authors propose two quantum numerical schemes for the simulation of physics phenomena, based on the finite difference method. The aim is to see if quantum versions of standard numerical schemes offer an advantage over their classical counterparts, either in accuracy, stability or computation time. First, the authors will present the different phenomena studied as well as the classical solution methods chosen. The authors will then describe the implementation of the quantum numerical schemes and present some results obtained on the different physics phenomena beforehand and then compare both approaches, classical and quantum.

DOI
10.1049/qtc2.12054

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Abstract Physics systems are becoming increasingly complex and require more and more computing time. Quantum computing, which has shown its efficiency on some problems, such as the factorisation of a number with Shor's algorithm, may be the solution to reduce these computation times. Here, the authors propose two quantum numerical schemes for the simulation of physics phenomena, based on the finite difference method. The aim is to see if quantum versions of standard numerical schemes offer an advantage over their classical counterparts, either in accuracy, stability or computation time. First, the authors will present the different phenomena studied as well as the classical solution methods chosen. The authors will then describe the implementation of the quantum numerical schemes and present some results obtained on the different physics phenomena beforehand and then compare both approaches, classical and quantum.
Numerical simulations of physical systems are found in many industries, as they currently play a crucial role in product development. There are many numerical methods for solving differential equations that describe the underlying physics behind the mathematical models in the simulation, among which, the finite element method (FEM) is one of the most commonly used. Although in many applications the FEM seems to provide an acceptable solution to the problem, there are still many complex real-life processes that can be challenging to simulate numerically due to their complexity and large size. Recently, there has been a shift in research towards efficiently applying quantum algorithms in finite element analysis (FEA), as the potential and speedup that they could offer have been shown, but little to no effort has been made towards the applicability and cost efficiency of these algorithms in real-world quantum devices. In this paper, we propose a cost-efficient method for applying quantum algorithms in FEA for industrial problems post-processed by classical algorithms in order to address the limitations of available quantum hardware and their cost when accessing them through different cloud-based services. We carry this out by approximating the solution of the initially large system with a suitable quantum algorithm and using the obtained solutions to generate a set of reduced-order models (ROMs) that are much smaller in complexity and size than the original model. This allows the simulation of the original model with different parameter sets and excitations to be run efficiently on classical computers without having the need to access quantum subroutines again. This way, we have reduced the usage of quantum hardware (and thus the development cost) while still taking advantage of its quantum speedup.
Structural mechanics is commonly modeled by (systems of) partial differential equations (PDEs). Except for very simple cases where analytical solutions exist, the use of numerical methods is required to find approximate solutions. However, for many problems of practical interest, the computational cost of classical numerical solvers running on classical, that is, silicon-based computer hardware, becomes prohibitive. Quantum computing, though still in its infancy, holds the promise of enabling a new generation of algorithms that can execute the most cost-demanding parts of PDE solvers up to exponentially faster than classical methods, at least theoretically. Also, increasing research and availability of quantum computing hardware spurs the hope of scientists and engineers to start using quantum computers for solving PDE problems much faster than classically possible. This work reviews the contributions that deal with the application of quantum algorithms to solve PDEs in structural mechanics. The aim is not only to discuss the theoretical possibility and extent of advantage for a given PDE, boundary conditions and input/output to the solver, but also to examine the hardware requirements of the methods proposed in literature.
Conventional classical solvers are commonly used for solving matrix equation systems resulting from the discretization of SIEs in computational electromagnetics (CEM). However, the memory requirement would become a bottleneck for classical computing as the electromagentic problems become much larger. As an alternative, quantum computing has a natural "parallelization" advantage with much lower storage complexity due to the superposition and entanglement in quantum mechanics. Even though several quantum algorithms have been applied for the SIEs-based methods in the literature, the size of the matrix equation systems solvable using them is still limited. In this work, we use a hybrid quantum-classical scheme to solve the EFIE for analyzing electromagentic scattering from three-dimensional (3D) perfect electrically conducting objects with arbitrary shapes in CEM for the first time. Instead of directly solving the original EFIE matrix equation system using the quantum algorithms, the hybrid scheme first designs the preconditioned linear system and then uses a double-layer iterative strategy for its solution, where the external iteration layer builds subspace matrix equation systems with smaller dimension and the internal iteration layer solves the smaller systems using the quantum algorithms. Two representative quantum algorithms, HHL and VQLS, are considered in this work, which are executed on the quantum simulator and quantum computer platforms. We present the theoretical time complexity analysis of the hybrid quantum-classical scheme and perform numerical experiments to investigate the accuracy and efficiency of the hybrid scheme. The results show that the computational complexity of the hybrid VQLS-classical scheme is lower than the conventional fast solvers in classical computing, which indicates the hybrid scheme is more promising for analyzing large-scale electromagnetic problems.
After the emergence of quantum mechanics and realising its need for an accurate understanding of physical systems, numerical methods were being used to undergo quantum mechanical treatment. With increasing system correlations and size, numerical methods fell rather inefficient, and there was a need to simulate quantum mechanical phenomena on actual quantum computing hardware. Now, with noisy quantum computing machines that have been built and made available to use, realising quantum simulations are edging towards a practical reality. In this paper, we talk about the progress that has been made in the field of quantum simulations by actual quantum computing hardware and talk about some very fascinating fields where it has expanded its branches, too. Not only that, but we also review different software tool-sets available to date, which are to lay the foundation for realising quantum simulations in a much more comprehensive manner.
A technique for simulating quantum dynamics in phase space i discussed. It makes use of ensembles of classical trajectories to approximate the distribution functions and their derivatives by implementing Adaptive Kernel Density Estimation. It is found to improve the accuracy and stability of the simulations compared to more conventional particle methods. Formulation of the method in higher dimensions is straightforward. Complete analytical description of physical systems exist only for the most simple ideal cases. The vast majority of physical problems require the solution of approximate equations most fre- quently by using numerical calculations. To this end, much effort has been devoted to the devel- opment of suitable techniques to be used in computer simulations. The increasing computational power makes possible the description of more complicated, that is, less ideal systems allowing for more precise predictions of their properties as well as for a better understanding of the underlying phenomena. Among the wealth of numerical approaches to solve dynamical equations by means of discretization, particle methods have gained attention in the last few decades as a conceptu- ally appealing alternative. Conventional numerical solvers rely on a regular discretization of the independent variables to facilitate the evaluation of derivatives to a given order of accuracy. As a consequence, a mesh needs to be defined as the base of the simulations, parts of which remain empty at any given simulation time even with the most sophisticated mesh schemes. The cen- tral idea of particle methods consists of representing functions by sets of particles conveniently located and weighted such that the function is appropriately sampled by the particles. Evolution of the functions is then accomplished by an equivalent evolution of the particles. This meshless or Lagrangian type of discretization has some intrinsic computational efficiency advantages because there is no wasted space. The advantage, however, comes at the expense of having to evaluate derivatives of functions on unstructured arrays of sampling points. The issues about convergence and stability of the resulting algorithms have been the subject of active and fruitfull research. Currently there are some well established techniques to solve dynamical equations with particle methods. Our interest is to provide an alternative ingredient to further improve the performance of numerical solutions of dynamical problems of physical relevance. In the present work we discuss, in the context of particle methods, the implementation of a technique for representing functions and derivatives with adaptive parameters. Adaptiveness require the parameters to be automatically ad- justed to optimal values according to the location of the particles. As shown below, the proposed scheme is conceptually simple and has been tested in a number of different situations. In some simple test models the present work focuses on quantum dynamics, previously treated with more