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 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.
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.
Abstract We propose an explicit quantum framework for numerically simulating general linear partial differential equations (PDEs), extending previous work (Guseynov et al 2025 Phys. Rev. Res. 7 033100) to incorporate (a) Robin boundary conditions—which include Neumann and Dirichlet conditions as special cases–(b) inhomogeneous terms, and (c) variable coefficients in space and time. Our approach begins with a general finite-difference discretization and applies the Schrödingerisation technique to transform the resulting system into one that admits unitary quantum evolution, enabling quantum simulation. For the Schrödinger equation corresponding to the discretized PDE, we construct an efficient block-encoding of the Hamiltonian H that scales polylogarithmically with the number of grid points N . This encoding is compatible with quantum signal processing and allows for the implementation of the evolution operator e − i H t . The explicit circuit construction in our method permits complexity to be measured in fundamental gate units–namely, CNOT gates and single-qubit rotations–bypassing the inefficiencies of oracle queries. Consequently, the overall algorithm scales polynomially with N and linearly with the spatial dimension d . Under certain input/output assumptions our method achieves a polynomial speedup in N and an exponential advantage in d for a wide class of PDEs, thereby mitigating the classical curse of dimensionality. The validity and efficiency of the proposed approach are further substantiated by numerical simulations. By explicitly defining the quantum operations and quantifying their resource requirements, our approach offers a practical alternative for numerically solving PDEs, distinct from others that rely on oracle queries and purely asymptotic scaling methods.
Partial differential equations are a promising application area for fault-tolerant quantum algorithms, but the subject lies between two communities with different languages: numerical analysis and quantum computation. These lecture notes provide a numerically grounded introduction for readers entering from either field. Block encoding is the organizing principle: once a discretized differential operator is embedded in a unitary, primitives such as quantum singular value transformation, Hamiltonian simulation, linear combinations of unitaries, amplitude amplification, and measurement can be assembled into algorithms for elliptic, hyperbolic, and parabolic PDEs. Each chapter begins with a standard finite difference or finite element discretization and follows the full pipeline from the continuous PDE to quantum encoding, transformation, and extraction of a quantity of interest. Particular attention is paid to the factors governing end-to-end performance, including discretization error, state preparation, normalization, postselection, and measurement cost. A final chapter introduces nonlinear problems through Carleman and Koopman-von Neumann linearizations. The aim is not a comprehensive survey or a claim of universal quantum advantage, but a mathematically transparent entry point and a shared vocabulary for researchers in both communities.
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.
The Koopman-von Neumann framework has been proposed to design quantum algorithms for non-linear dynamics. It maps a non-linear ordinary differential equation to a linear partial differential equation (PDE) governing a probability amplitude. Previous works represents this amplitude in the Hermite-function basis, equivalently as a bosonic state, and truncates the total Hermite degree to obtain a representation over Θ(mlogN) qubits, where N is the number of variables and m the truncation order. We extend this approach to a broader class of linear PDEs whose differential operators have a structured polynomial form. We prove convergence of the truncation for both time-dependent dynamics and gapped ground-state problems under explicit regularity and stability assumptions. We then introduce a qubit encoding that supports efficient block encodings of the truncated operators. Finally, we apply the framework to Bayesian inverse problems with Gaussian priors and observation noise, reducing posterior-state preparation to the preparation of a structured Hamiltonian's ground state.
Partial differential equations (PDEs) are crucial for modeling various physical phenomena such as heat transfer, fluid flow, and electromagnetic waves. In computer-aided engineering (CAE), the ability to handle fine resolutions and large computational models is essential for improving product performance and reducing development costs. However, solving large-scale PDEs, particularly for systems with spatially varying material properties, poses significant computational challenges. In this paper, we propose a quantum algorithm for solving second-order linear PDEs of nonconservative systems with spatially varying parameters, using the linear combination of the Hamiltonian simulation (LCHS) method. Our approach transforms those PDEs into ordinary differential equations represented by qubit operators, through spatial discretization using the finite-difference method. Then, we provide an algorithm that efficiently constructs the operator corresponding to the spatially varying parameters of PDEs via a logic minimization technique, which reduces the number of terms and subsequently the circuit depth. We also develop a scalable method for realizing a quantum circuit for LCHS, using a tensor-network-based technique, specifically a matrix product state (MPS). We validate our method with applications to the acoustic equation with spatially varying parameters and the dissipative heat equation. Our approach includes a detailed recipe for constructing quantum circuits for PDEs, leveraging efficient encoding of spatially varying parameters of PDEs and scalable implementation of LCHS, which we believe marks a significant step towards advancing quantum computing's role in solving practical engineering problems.