In this work we develop a highly efficient representation of functions and differential operators based on Fourier analysis. Using this representation, we create a variational hybrid quantum algorithm to solve static, Schr\"odinger-type, Hamiltonian partial differential equations (PDEs), using space-efficient variational circuits, including the symmetries of the problem, and global and gradient-based optimizers. We use this algorithm to benchmark the performance of the representation techniques by means of the computation of the ground state in three PDEs, i.e., the one-dimensional quantum harmonic oscillator and the transmon and flux qubits, studying how they would perform in ideal and near-term quantum computers. With the Fourier methods developed here, we obtain low infidelities of order ${10}^{\ensuremath{-}4}--{10}^{\ensuremath{-}5}$ using only three to four qubits, demonstrating the high compression of information in a quantum computer. Practical fidelities are limited by the noise and the errors of the evaluation of the cost function in real computers, but they can also be improved through error mitigation techniques.
In this work we develop a highly efficient representation of functions and differential operators based on Fourier analysis. Using this representation, we create a variational hybrid quantum algorithm to solve static, Schr"odinger-type, Hamiltonian partial differential equations (PDEs), using space-efficient variational circuits, including the symmetries of the problem, and global and gradient-based optimizers. We use this algorithm to benchmark the performance of the representation techniques by means of the computation of the ground state in three PDEs, i.e., the one-dimensional quantum harmonic oscillator and the transmon and flux qubits, studying how they would perform in ideal and near-term quantum computers. With the Fourier methods developed here, we obtain low infidelities of order 10\ensuremath−4−−10\ensuremath−5 using only three to four qubits, demonstrating the high compression of information in a quantum computer. Practical fidelities are limited by the noise and the errors of the evaluation of the cost function in real computers, but they can also be improved through error mitigation techniques.
This paper proposes a variational quantum algorithm to address the large-scale and low computational efficiency issues of high-dimensional partial differential equations (PDEs) in climate science. In this method, parameterized quantum circuits encode the discrete solutions of PDEs into quantum states. Then, through repeated quantum measurements, we can obtain the expectation values of the operators. By iteratively adjusting the circuit parameters, a hybrid quantum-classical optimization loop can reduce the error in the solution. The Schrödinger equation and the Poisson equation are benchmark partial differential equations for numerical experiments, and they are four-dimensional and five-dimensional, respectively. According to the above results, the convergence speed is relatively fast; after 100 iterations, the median relative errors of all test cases are less than 1.6% and 3.1%, respectively, with the final target loss ranging between 0.014 and 0.045. The above comparison indicates that in high-dimensional and ill-posed problems, quantum solvers can achieve the same or better accuracy and robustness compared to traditional methods. Resource analysis indicates that quantum algorithms use less memory and fewer sub-exponential growth gates and runtime in larger systems. According to the above findings, variational quantum solvers can be used for complex scientific computing problems. In addition, they hope that future climate models will be more accurate and efficient.
Quantum computing has the potential to revolutionize computational problem-solving by leveraging the quantum mechanical phenomena such as superposition and entanglement, enabling fundamentally different computational strategies compared to classical computing. Classical methods for solving complex and high dimensional partial differential equations (PDEs), crucial for modeling diverse physical phenomena, suffer from an exponential growth in computational complexity known as the curse of dimensionality. This can limit their effectiveness for certain high-resolution simulations and real-time computational applications. In contrast, quantum computing inherently exploits superposition and entanglement to efficiently represent and simultaneously manipulate large-scale discretized PDEs, using exponentially fewer resources compared to classical systems. There are currently many quantum techniques available for solving partial differential equations (PDEs), which are mainly based on variational quantum circuits. However, the existing quantum PDE solvers, particularly those based on variational quantum eigensolver (VQE) techniques, suffer from several limitations. These include low accuracy, high execution times, and low scalability on quantum simulators as well as on noisy intermediate-scale quantum (NISQ) devices, especially for multidimensional PDEs. 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 and evaluated our proposed concepts using a number of case studies including multidimensional Poisson equation, multidimensional heat equation, Black Scholes equation for financial option pricing, and Navier-Stokes equation for computational fluid dynamics (CFD), achieving promising results. Our results demonstrate higher accuracy, higher scalability, and faster execution times compared to VQE-based solvers on noise-free and noisy quantum simulators from IBM. Additionally, we validated our approach on hardware emulators and actual quantum hardware, employing noise mitigation techniques. This work establishes a practical and effective approach for solving PDEs using quantum computing for engineering and scientific applications.
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.
Quantum computing has the potential to solve certain compute-intensive problems faster than classical computing by leveraging the quantum mechanical properties of superposition and entanglement. This capability can be particularly useful for solving Partial Differential Equations (PDEs), which are challenging to solve even for High-Performance Computing (HPC) systems, especially for multidimensional PDEs. This led researchers to investigate the usage of Quantum-Centric High-Performance Computing (QC-HPC) to solve multidimensional PDEs for various applications. However, the current quantum computing-based PDE-solvers, especially those based on Variational Quantum Algorithms (VQAs) suffer from limitations, such as low accuracy, long execution times, and limited scalability. In this work, we propose an innovative algorithm to solve multidimensional PDEs with two variants. The first variant uses Finite Difference Method (FDM), Classical-to-Quantum (C2Q) encoding, and numerical instantiation, whereas the second variant utilizes FDM, C2Q encoding, and Column-by-Column Decomposition (CCD). We evaluated the proposed algorithm using the Poisson equation as a case study and validated it through experiments conducted on noise-free and noisy simulators, as well as hardware emulators and real quantum hardware from IBM. Our results show higher accuracy, improved scalability, and faster execution times in comparison to variational-based PDE-solvers, demonstrating the advantage of our approach for solving multidimensional PDEs.
Quantum computing has emerged as a promising avenue for achieving significant speedup, particularly in large-scale PDE simulations, compared to classical computing. One of the main quantum approaches involves utilizing Hamiltonian simulation, which is directly applicable only to Schrödinger-type equations. To address this limitation, Schrödingerisation techniques have been developed, employing the warped transformation to convert general linear PDEs into Schrödinger-type equations. However, despite the development of Schrödingerisation techniques, the explicit implementation of the corresponding quantum circuit for solving general PDEs remains to be designed. In this paper, we present detailed implementation of a quantum algorithm for general PDEs using Schrödingerisation techniques. We provide examples of the heat equation, and the advection equation approximated by the upwind scheme, to demonstrate the effectiveness of our approach. Complexity analysis is also carried out to demonstrate the quantum advantages of these algorithms in high dimensions over their classical counterparts.
Quantum computation is a promising approach to solving problems in physics, optimization, and numerical simulation. Quantum algorithms leverage superposition and entanglement in an exponentially large Hilbert space to encode and solve problems that are intractable for classical computers. However, these algorithms require error-corrected quantum hardware, which is not yet available. This thesis explores two alternative quantum-based approaches that promise to achieve better scalability than traditional algorithms in the near-term: Hybrid variational quantum algorithms (VQAs) and fully classical, quantum-inspired algorithms. In the first part, we review and benchmark optimization methods well suited for VQAs, specifically the Simultaneous Perturbation Stochastic Approximation (SPSA). We introduce complex-variable extensions and improvements to the second-order and quantum natural implementations. Finally, we assess their performance across quantum control, quantum tomography, and the variational quantum eigensolver, providing practical guidelines for common VQA scenarios. In the second part, we apply Matrix Product States (MPS) to solve time-dependent partial differential equations (PDEs). By integrating Hermite Distributed Approximating Functionals (HDAF) into the MPS framework, we develop a novel encoding to efficiently approximate differential operators with exponential precision. We benchmark this approach against traditional schemes for simulating the expansion of a levitated nanoparticle. The quantum-inspired numerical integration schemes deliver large memory savings and adequate runtimes even in presence of moderate chirping.