Second-order boundary value problems are central to computational science, yet standard matrix-based numerical formulations can obscure the local geometric structure that quantum circuits may exploit. Here we introduce a framework for explicitly constructing finite-dimensional counterparts of continuous differential operators in a form compatible with quantum computation. Starting from the exterior derivative, its adjoint, and the Hodge operator, we derive discrete realizations of second-order operators on primal--dual cell complexes and reformulate them as star-local update rules expressed through explicit functions that return the relevant bounding chains rather than through matrix representations. This yields simple, uniform, and scalable quantum circuits. We demonstrate the construction for div--grad and curl--curl operators, showing that the same star-local compilation principle extends across different operators, cell complexes, and manifold dimensions within a common framework. More generally, the framework provides a systematic route to quantum algorithms for partial differential equations.
Comments
submitted to Quantum Science and Technology - IOPscience
Second-order boundary value problems are central to computational science, yet standard matrix-based numerical formulations can obscure the local geometric structure that quantum circuits may exploit. Here we introduce a framework for explicitly constructing finite-dimensional counterparts of continuous differential operators in a form compatible with quantum computation. Starting from the exterior derivative, its adjoint, and the Hodge operator, we derive discrete realizations of second-order operators on primal--dual cell complexes and reformulate them as star-local update rules expressed through explicit functions that return the relevant bounding chains rather than through matrix representations. This yields simple, uniform, and scalable quantum circuits. We demonstrate the construction for div--grad and curl--curl operators, showing that the same star-local compilation principle extends across different operators, cell complexes, and manifold dimensions within a common framework. More generally, the framework provides a systematic route to quantum algorithms for partial differential equations.
The paper presents a variational quantum algorithm to solve initial–boundary value problems described by second-order partial differential equations. The approach uses hybrid classical/quantum framework that is well suited for quantum computers of the current noisy intermediate-scale quantum era. The partial differential equation is initially translated into an optimal control problem with a modular control-to-state operator (ansatz). The objective function and its derivatives required by the optimizer can efficiently be evaluated on a quantum computer by measuring an ancilla qubit, while the optimization procedure employs classical hardware. The focal aspect of the study is the treatment of boundary conditions, which is tailored to the properties of the quantum hardware using a correction technique. For this purpose, the boundary conditions and the discretized terms of the partial differential equation are decomposed into a sequence of unitary operations and subsequently compiled into quantum gates. The accuracy and gate complexity of the approach are assessed for second-order partial differential equations by classically emulating the quantum hardware. The examples include steady and unsteady diffusive transport equations for a scalar property in combination with various Dirichlet, Neumann, or Robin conditions. The results of this flexible approach display a robust behavior and a strong predictive accuracy in combination with a remarkable polylog complexity scaling in the number of qubits of the involved quantum circuits. Remaining challenges refer to adaptive ansatz strategies that speed up the optimization procedure.
Partial differential equations (PDEs) are fundamental across numerous scientific fields. As these problems scale to high dimensions, classical numerical schemes introduce severe computational bottlenecks, known as the curse of dimensionality. Attempts to solve this problem typically rely on either classical sparsity and low-rank decompositions, or neural network surrogate models. On the other hand, Quantum Computing offers a promising alternative, as it allows us to operate in significantly larger spaces while demanding far fewer resources. In this work, we present a quantum subroutine to solve second-order linear PDEs by exploiting the structural properties of the filter in Fourier space using Quantum Block Encoding (QBE) with quantum reversible arithmetic. This approach serves as a specialized alternative to standard quantum matrix inversion, which typically relies solely on Quantum Singular Value Transformation (QSVT) without exploiting the inherent structural properties of the matrix. We validate the proposed methodology against its classical counterpart to prove its correctness. This framework provides a foundation for extending these methods toward quantum group Fourier transforms, wavelet-based analysis, and equivariant quantum neural networks (EQNNs), offering a promising path toward solving broader classes of problems, including nonlinear PDEs.
Solving differential equations is one of the most computationally expensive problems in classical computing, occupying the vast majority of high-performance computing resources devoted towards practical applications in various fields of science and engineering. Despite recent progress made in the field of quantum computing and quantum algorithms, its end-to-end application towards practical realization still remains unattainable. In this article, we tackle one of the primary obstacles towards this ultimate objective, specifically the encoding of matrices derived via finite difference method solving Poisson partial differential equations in simple boundary-value problems. To that end, we propose a novel methodology called block-diagonalization, which provides a common decomposition form for our matrices, and similarly a common procedure for block-encoding these matrices inside a unitary operator of a quantum circuit. The depth of these circuits is double-logarithmic in the matrix size, which is an exponential improvement over existing quantum methods and a superexponential improvement over existing classical methods. These improvements come at the price of a constant multiplicative overhead on the number of qubits and the number of gates. Combined with quantum linear solver algorithms, we can utilize these quantum circuits to produce a quantum state representation of the solution to the Poisson partial differential equations and their boundary-value problems.
Discrete Laplacian operators arise ubiquitously in scientific computing and frequently appear in quantum algorithms for tasks such as linear algebra, Hamiltonian simulation, and partial differential equations. Block encoding provides the standard method for accessing matrix data within quantum circuits. Efficient implementations of such algorithms require efficient block encodings of the discretized operator. While several general-purpose techniques exist for block encoding arbitrary matrices, they usually require deep quantum circuits. Moreover, existing efficient constructions that exploit Laplacian structure are limited in scope, typically assuming fixed boundary conditions or uniform grid resolutions. In this work, we present a unified framework for efficiently block encoding finite-difference discretizations of the Laplacian that supports Dirichlet, periodic, and Neumann boundary conditions in arbitrary spatial dimensions. Our construction allows different boundary conditions and grid sizes to be specified independently along each coordinate axis, enabling mixed-boundary and anisotropic discretizations within a single modular circuit architecture. We provide analytical gate-complexity estimates and perform circuit-level benchmarks after transpilation to an IBM hardware gate set. Across one-, two-, and three-dimensional examples, the resulting circuits exhibit substantially lower gate counts and higher success probabilities when compared to certain existing approaches.
Simulation of physical systems is one of the most promising use cases of future digital quantum computers. In this work we systematically analyze the quantum circuit complexities of block encoding the discretized elliptic operators that arise extensively in numerical simulations for partial differential equations, including high-dimensional instances for many-body simulations. When restricted to rectangular domains with separable boundary conditions, we provide explicit circuits to block encode the many-body Laplacian with separable periodic, Dirichlet, Neumann, and Robin boundary conditions, using standard discretization techniques from low-order finite difference methods. To obtain high-precision, we introduce a scheme based on periodic extensions to solve Dirichlet and Neumann boundary value problems using a high-order finite difference method, with only a constant increase in total circuit depth and subnormalization factor. We then present a scheme to implement block encodings of differential operators acting on more arbitrary domains, inspired by Cartesian immersed boundary methods. We then block encode the many-body convective operator, which describes interacting particles experiencing a force generated by a pair-wise potential given as an inverse power law of the interparticle distance. This work provides concrete recipes that are readily translated into quantum circuits, with depth logarithmic in the total Hilbert space dimension, that block encode operators arising broadly in applications involving the quantum simulation of quantum and classical many-body mechanics.
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.