Partial differential equation (PDE)-constrained optimization, where an optimization problem is subject to PDE constraints, arises in various applications such as design, control, and inference. Solving such problems is computationally demanding because it requires repeatedly solving a PDE and using its solution within an optimization process. In this paper, we first propose a fully coherent quantum algorithm for solving PDE-constrained optimization problems. The proposed method combines a quantum PDE solver that prepares the solution vector as a quantum state, and a quantum optimizer that assumes oracle access to a quantized objective function. The central idea is the explicit construction of the oracle in a form of block-encoding for the objective function, which coherently uses the output of a quantum PDE solver. This enables us to avoid classical access to the full solution that requires quantum state tomography canceling out the potential quantum speedups. We also derive the overall computational complexity of the proposed method with respect to parameters for optimization and PDE simulation, where quantum speedup is inherited from the underlying quantum PDE solver. We numerically demonstrate the validity of the proposed method by applications, including a parameter calibration problem in the Black-Scholes equation and a material parameter design problem in the wave equation. This work presents the concept of composing quantum subroutines so that the weakness of one (i.e., prohibitive readout overhead) is neutralized by the strength of another (i.e., coherent oracle access), toward a bottleneck-free quantum algorithm.
Partial differential equation (PDE)-constrained optimization, where an optimization problem is subject to PDE constraints, arises in various applications such as design, control, and inference. Solving such problems is computationally demanding because it requires repeatedly solving a PDE and using its solution within an optimization process. In this paper, we first propose a fully coherent quantum algorithm for solving PDE-constrained optimization problems. The proposed method combines a quantum PDE solver that prepares the solution vector as a quantum state, and a quantum optimizer that assumes oracle access to a quantized objective function. The central idea is the explicit construction of the oracle in a form of block-encoding for the objective function, which coherently uses the output of a quantum PDE solver. This enables us to avoid classical access to the full solution that requires quantum state tomography canceling out the potential quantum speedups. We also derive the overall computational complexity of the proposed method with respect to parameters for optimization and PDE simulation, where quantum speedup is inherited from the underlying quantum PDE solver. We numerically demonstrate the validity of the proposed method by applications, including a parameter calibration problem in the Black-Scholes equation and a material parameter design problem in the wave equation. This work presents the concept of composing quantum subroutines so that the weakness of one (i.e., prohibitive readout overhead) is neutralized by the strength of another (i.e., coherent oracle access), toward a bottleneck-free quantum algorithm.
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.
We study a quantum-algorithmic framework for parameterizing partial differential equations (PDEs). For a broad class of problems in which the discretized parameter field admits a diagonal representation, block-encodings of diagonal matrices, or diagonal block-encodings, can be used to represent spatially varying coefficients with structured, potentially complicated profiles. This encoding enables efficient quantum simulation of forward PDEs and extends naturally to parameter-dependent settings. Such simulations are a key primitive for quantum algorithms for PDE-constrained optimization, where the goal is to identify optimal design parameters. We illustrate the framework numerically through forward simulation and parameter design for the two-dimensional wave equation with a Gaussian parameter profile.
We present a novel variational quantum framework for linear partial differential equation (PDE) constrained optimization problems. Such problems arise in many scientific and engineering domains. For instance, in aerodynamics, the PDE constraints are the conservation laws such as momentum, mass and energy balance, the design variables are vehicle shape parameters and material properties, and the objective could be to minimize the effect of transient heat loads on the vehicle or to maximize the lift-to-drag ratio. The proposed framework utilizes the variational quantum linear solver (VQLS) algorithm and a black box optimizer as its two main building blocks. VQLS is used to solve the linear system, arising from the discretization of the PDE constraints for given design parameters, and evaluate the design cost/objective function. The black box optimizer is used to select next set of parameter values based on this evaluated cost, leading to nested bi-level optimization structure within a hybrid classical-quantum setting. We present detailed computational error and complexity analysis to highlight the potential advantages of our proposed framework over classical techniques. We implement our framework using the PennyLane library, apply it to a heat transfer optimization problem, and present simulation results using Bayesian optimization as the black box optimizer. We also demonstrate that by using an alternative tensor product decomposition which better exploits the sparsity and structure of linear systems arising from PDE discretizations, one can substantially overcome the key computational bottleneck in VQLS arising from commonly employed Pauli basis for the linear combination of unitary (LCU) decomposition step within VQLS.
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.
One of the most promising applications of quantum computers is solving partial differential equations (PDEs). By using the Schrödingerization technique—which converts nonconservative PDEs into Schrödinger equations—the problem can be reduced to Hamiltonian simulations. The particular class of Hamiltonians we consider is shown to be sufficient for simulating almost any linear PDE. In particular, these Hamiltonians consist of discretizations of polynomial products and sums of position and momentum operators. This paper addresses an important gap by efficiently loading these Hamiltonians into the quantum computer through block-encoding. The construction is explicit and efficient in terms of one- and two-qubit operations, forming a fundamental building block for constructing the unitary evolution operator for that class of Hamiltonians. The proposed algorithm demonstrates a squared logarithmic scaling with respect to the spatial partitioning size, offering a polynomial speedup over classical finite-difference methods in the context of spatial partitioning for solving PDEs. Furthermore, the algorithm is extended to the multidimensional case, achieving an exponential acceleration with respect to the number of dimensions, alleviating the curse of dimensionality problem. This work provides an essential foundation for developing explicit and efficient quantum circuits for PDEs, Hamiltonian simulations, and ground state and thermal state preparation.
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.