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arXiv:2407.18347 · Quantum

Explicit block encodings of boundary value problems for many-body elliptic operators

Tyler Kharazi, Ahmad M. Alkadri, Jin-Peng Liu, Kranthi K. Mandadapu, K. Birgitta Whaley

Published Jun 4, 2025• 7 citations
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Abstract

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.

DOI
10.22331/q-2025-06-04-1764

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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.
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.
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.
The biharmonic equation is a prototypical fourth-order partial differential equation whose high-dimensional discretization suffers from rapidly growing degrees of freedom and severe ill-conditioning. We develop QSVT--VTAA quantum linear-system algorithms by constructing explicit block-encodings tailored to periodic, simply supported, and Dirichlet--Neumann boundary conditions. For periodic and simply supported problems, Fourier and sine-transform diagonalizations yield augmented Poisson systems with the condition-number scaling of a second-order operator. For Dirichlet--Neumann problems, we introduce a second-order boundary-corrected finite-difference discretization, establish mesh-independent stability, and construct an explicit block-encoding of the resulting nonsymmetric matrix. We also formulate a coupled-Laplace system with additional boundary unknowns and characterize its complexity in terms of the condition number of the complete augmented matrix. The analysis covers discretization error, block-encoding normalization, gate complexity, and solution extraction under an amplitude-input and quantum-state-output model. Numerical experiments validate the proposed discretizations and the corresponding linear solves.
The data input model is a fundamental component of every quantum algorithm, as its efficiency is crucial for achieving potential speed-ups over classical methods. For quantum linear algebra tasks that utilize quantum eigenvalue or singular value transformations, block encoding is the established technique for accessing matrix data. A key application of this is solving partial differential equations, where the Laplacian operator and its finite difference discretization serve as foundational examples. In this article, we present an efficient and explicit block encoding method for the Laplacian with periodic boundary conditions that enhances existing approaches in key aspects. We detail the construction of the quantum algorithm and illustrate how it leverages the unique structure of finite difference discretizations. Furthermore, we analytically derive the scaling of the sub-normalization factor and of the success probability of the block encoding with respect to the problem dimension, the grid width of the finite difference grid and the regularity of the exact solution, and we give resource estimates.
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.
Discretizing Helmholtz problems via finite elements yields linear systems whose efficient solution remains a major challenge for classical computation. In this paper, we investigate how variational quantum algorithms could address this challenge. We first show that, for regular meshes, a block encoding of the operators AAA and A†AA^\dagger AA†A arising from the high-order finite element discretisation of Helmholtz problems can be designed, resulting in a quantum circuit of depth O(p3polylog⁡(Np))\mathcal{O}(p^3\mathrm{poly}\log(Np))O(p3polylog(Np)) with NNN the number of elements and ppp the order of the finite elements. Then we apply our algorithm to a one-dimensional Helmholtz problem with Dirichlet and Neumann boundary conditions for various wavenumbers.