In this paper we use a variational quantum algorithm to solve initial value problems with the implicit Crank-Nicolson and the method of lines (MoL) evolution schemes. The unknown functions use a spectral decomposition with the Fourier basis. The examples developed to illustrate the implementation are the advection equation, the wave equation written as a system of first-order coupled equations, and the viscous Burgers equation as a nonlinear case. The problems are solved using (i) standard finite differences as the solution to compare with, (ii) the state vector formalism (SVF), and (iii) the sampling error formalism (SEF). The contributions of this paper include (1) cost functions for generic first order in time partial differential equations (PDEs) using the implicit Crank-Nicholson and the MoL, (2) detailed convergence or self-convergence tests are presented for all the equations solved, (3) a system of three coupled PDEs is solved, (4) solutions using sampling error are presented, which highlights the importance of simulating the sampling process, and (5) a fast version of the SVF and SEF was developed which can be used to test different optimizers faster.
In this paper we use a variational quantum algorithm to solve initial value problems with the implicit Crank-Nicolson and the method of lines (MoL) evolution schemes. The unknown functions use a spectral decomposition with the Fourier basis. The examples developed to illustrate the implementation are the advection equation, the wave equation written as a system of first-order coupled equations, and the viscous Burgers equation as a nonlinear case. The problems are solved using (i) standard finite differences as the solution to compare with, (ii) the state vector formalism (SVF), and (iii) the sampling error formalism (SEF). The contributions of this paper include (1) cost functions for generic first order in time partial differential equations (PDEs) using the implicit Crank-Nicholson and the MoL, (2) detailed convergence or self-convergence tests are presented for all the equations solved, (3) a system of three coupled PDEs is solved, (4) solutions using sampling error are presented, which highlights the importance of simulating the sampling process, and (5) a fast version of the SVF and SEF was developed which can be used to test different optimizers faster.
Variational quantum algorithms offer a promising new paradigm for solving partial differential equations on near-term quantum computers. Here, we propose a variational quantum algorithm for solving a general evolution equation through implicit time-stepping of the Laplacian operator. The use of encoded source states informed by preceding solution vectors results in faster convergence compared to random re-initialization. Through statevector simulations of the heat equation, we demonstrate how the time complexity of our algorithm scales with the Ansatz volume for gradient estimation and how the time-to-solution scales with the diffusion parameter. Our proposed algorithm extends economically to higher-order time-stepping schemes, such as the Crank-Nicolson method. We present a semi-implicit scheme for solving systems of evolution equations with non-linear terms, such as the reaction-diffusion and the incompressible Navier-Stokes equations, and demonstrate its validity by proof-of-concept results.
Partial differential equations (PDEs) play a central role in scientific and engineering analysis, with applications spanning fluid dynamics, heat and mass transfer, electromagnetism, quantum mechanics, and financial modeling, where they are used to describe diffusion processes, wave propagation, and the evolution of complex systems over space and time. Solving multidimensional partial differential equations (PDEs) is a computationally challenging problem, even for the most advanced classical systems. Over the past decade, quantum computing has attracted significant interest as a potential approach for solving complex computational problems, including multidimensional PDEs. Although a variety of approaches have been proposed for solving PDEs, most of the existing techniques are based on variational quantum algorithms (VQAs). Despite being promising, these VQA-based approaches suffer from low accuracy, long execution times, and limited scalability. In this work, we propose a scalable and efficient quantum algorithm for solving multidimensional PDEs. Our algorithm has two variants. One variant is based on the finite difference method (FDM), classical-to-quantum (C2Q) encoding, and numerical instantiation, whereas the other is based on FDM, C2Q, and column-by-column decomposition (CCD). We have also evaluated our algorithm using several practical case studies; namely, Poisson, heat, Black–Scholes, and Navier–Stokes equations. The results show that our proposed approach achieves higher accuracy, greater scalability, and faster execution time than the VQA-based approaches. We validated these findings on both noise-free and noisy simulators, as well as on a hardware emulator and real IBM quantum hardware.
This thesis describes quantum algorithms for Hamiltonian simulation, ordinary differential equations (ODEs), and partial differential equations (PDEs). Product formulas are used to simulate Hamiltonians which can be expressed as a sum of terms which can each be simulated individually. By simulating each of these terms in sequence, the net effect approximately simulates the total Hamiltonian. We find that the error of product formulas can be improved by randomizing over the order in which the Hamiltonian terms are simulated. We prove that this approach is asymptotically better than ordinary product formulas and present numerical comparisons for small numbers of qubits. The ODE algorithm applies to the initial value problem for time-independent first order linear ODEs. We approximate the propagator of the ODE by a truncated Taylor series, and we encode the initial value problem in a large linear system. We solve this linear system with a quantum linear system algorithm (QLSA) whose output we perform a post-selective measurement on. The resulting state encodes the solution to the initial value problem. We prove that our algorithm is asymptotically optimal with respect to several system parameters. The PDE algorithms apply the finite difference method (FDM) to Poisson's equation, the wave equation, and the Klein-Gordon equation. We use high order FDM approximations of the Laplacian operator to develop linear systems for Poisson's equation in cubic volumes under periodic, Neumann, and Dirichlet boundary conditions. Using QLSAs, we output states encoding solutions to Poisson's equation. We prove that our algorithm is exponentially faster with respect to the spatial dimension than analogous classical algorithms. We also consider how high order Laplacian approximations can be used for simulating the wave and Klein-Gordon equations. We consider under what conditions it suffices to use Hamiltonian simulation for time evolution, and we propose an algorithm for these cases that uses QLSAs for state preparation and post-processing.
Quantum methods for solving partial differential equations (PDEs) generally fall into a few general categories, each leveraging different quantum mechanisms to achieve potential speedups. One well-known approach is the quantum linear system solver, epitomized by the Harrow-Hassidim-Lloyd (HHL) algorithm, which uses phase estimation and eigenvalue inversion to solve large, sparse linear systems arising from discretized linear PDEs [1]. This method can yield exponential improvements over classical solvers under certain conditions (mostly when the matrix is well-conditioned and sparse). More recent developments, such as Quantum Singular Value Transformation (QSVT), provide a framework for matrix inversion in a more flexible way, often improving on the cost and error dependence of earlier solvers [2]. Time-dependent PDEs can be tackled via Hamiltonian simulations. The Trotter-Suzuki method decomposes the exponential of a Hamiltonian into products of exponentials of simpler sub-Hamiltonians, allowing a piecewise approximation of continuous dynamics [3]. Continuous-time quantum walks, which treat a PDE operator as a Hamiltonian that governs the walk, similarly simulate processes like diffusion or wave propagation on discretized grids or graphs [4]. Beyond direct simulation, variational quantum algorithms have emerged as a promising route in the noisy intermediate-scale quantum era. These approaches encode the PDE solution as a parameterized quantum state and optimize the parameters via classical feedback, thereby minimizing a cost function tied to the PDE residual or energy functional [5]. Quantum annealing or adiabatic methods, meanwhile, can solve optimization problems derived from PDE constraints by adiabatically evolving a simple initial Hamiltonian to the final problem Hamiltonian and staying in the system's ground state [3]. In our study, we implement a new parameterized quantum model, specifically designed to solve large linear systems on quantum hardware. This model is less deep and computationally faster than the proposed one in [5], reducing the complexity and speeding up convergence times. Such improvements are particularly valuable in cases where classical algorithms may fail due to the problem's size or complexity. Ongoing research is focusing on generalized quantum models that can be adapted to practical PDE problems for solving large electromagnetic problems where classical computers can fail.
Quantum computing has the potential to transform computational problem-solving by leveraging quantum mechanical principles of superposition and entanglement. This capability is particularly important for the numerical solution of complex and/or multidimensional partial differential equations (PDEs). There are currently many quantum techniques available for solving PDEs, which are mainly based on variational quantum algorithms (VQAs). However, the existing quantum PDE solvers, particularly those based on VQAs suffer from limitations such as low accuracy, high execution times, and low scalability on both simulators as well as on real quantum devices. In this work, we propose an efficient and scalable algorithm for solving multidimensional PDEs. We present two variants of our algorithm: the first leverages finite-difference method (FDM), classical-to-quantum (C2Q) encoding, and numerical instantiation, while the second employs FDM, C2Q, and column-by-column decomposition (CCD). Both variants are designed to enhance accuracy and scalability while reducing execution times. We have validated our proposed algorithm by solving several practically useful PDEs such as Poisson, heat, Black-Scholes, and Navier-Stokes equations. Our results demonstrate higher accuracy, higher scalability, and faster execution times compared to VQA-based solvers on noise-free and noisy quantum simulators from IBM and achieved promising results on real quantum hardware.
Abstract The time-dependent Schrödinger equation is fundamental to quantum mechanics, describing the evolution of quantum systems. This study introduces a novel numerical approach that extends and modifies the Crank-Nicholson method to solve the time-dependent Schrödinger equation. This method is designed to enhance both the precision and performance of computational results, especially in the context of quantum tunneling phenomena and applications that require high accuracy over long periods. To assess the precision and performance of the modified Crank-Nicolson method, we benchmark it against two well-known numerical methods: the Runge-Kutta method and the Split-Step Fourier method. Quantum tunneling is selected as the case study due to its relevance in quantum physics applications. Comparative analysis is based on numerical error metrics. The proposed method can be applied to other physical phenomena, expanding its potential application in physics research and technology industries.