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arXiv:2310.18900 · Quantum

Quantum algorithms for linear and non-linear fractional reaction-diffusion equations

Dong An, Konstantina Trivisa

Published Jan 19, 2026• 3 citations
arXivHTMLPDF

Abstract

High-dimensional fractional reaction-diffusion equations have numerous applications in the fields of biology, chemistry, and physics, and exhibit a range of rich phenomena. While classical algorithms have an exponential complexity in the spatial dimension, a quantum computer can produce a quantum state that encodes the solution with only polynomial complexity, provided that suitable input access is available. In this work, we investigate efficient quantum algorithms for linear and nonlinear fractional reaction-diffusion equations with periodic boundary conditions. For linear equations, we analyze and compare the complexity of various methods, including the second-order Trotter formula, time-marching method, and truncated Dyson series method. We also present a novel algorithm that combines the linear combination of Hamiltonian simulation technique with the interaction picture formalism, resulting in optimal scaling in the spatial dimension. For nonlinear equations, we employ the Carleman linearization method and propose a block-encoding version that is appropriate for the dense matrices that arise from the spatial discretization of fractional reaction-diffusion equations.

DOI
10.22331/q-2026-01-19-1969

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High-dimensional fractional reaction-diffusion equations have numerous applications in the fields of biology, chemistry, and physics, and exhibit a range of rich phenomena. While classical algorithms have an exponential complexity in the spatial dimension, a quantum computer can produce a quantum state that encodes the solution with only polynomial complexity, provided that suitable input access is available. In this work, we investigate efficient quantum algorithms for linear and nonlinear fractional reaction-diffusion equations with periodic boundary conditions. For linear equations, we analyze and compare the complexity of various methods, including the second-order Trotter formula, time-marching method, and truncated Dyson series method. We also present a novel algorithm that combines the linear combination of Hamiltonian simulation technique with the interaction picture formalism, resulting in optimal scaling in the spatial dimension. For nonlinear equations, we employ the Carleman linearization method and propose a block-encoding version that is appropriate for the dense matrices that arise from the spatial discretization of fractional reaction-diffusion equations.
We present two new quantum algorithms for reaction-diffusion equations that employ the truncated Chebyshev polynomial approximation. This method is employed to numerically solve the ordinary differential equation emerging from the linearization of the associated nonlinear differential equation. In the first algorithm, we use the matrix exponentiation method (Patel et al., 2018), while in the second algorithm, we repurpose the quantum spectral method (Childs et al., 2020). Our main technical contribution is to derive the sufficient conditions for the diagonalization of the Carleman embedding matrix, which is indispensable for designing both quantum algorithms. We supplement this with an efficient iterative algorithm to diagonalize the Carleman matrix. Our first algorithm has gate complexity of O(d⋅\cdot⋅log(d)+T⋅\cdot⋅polylog(T/ε\varepsilonε)). Here ddd is the size of the Carleman matrix, TTT is the simulation time, and ε\varepsilonε is the approximation error. The second algorithm is polynomial in log(d)log(d)log(d), TTT, and log(1/ε)log(1/\varepsilon)log(1/ε) - the gate complexity scales as O(polylog(d)⋅\cdot⋅T⋅\cdot⋅polylog(T/ε\varepsilonε)). In terms of TTT and ε\varepsilonε, this is comparable to the speedup gained by the current best known quantum algorithm for this problem, the truncated Taylor series method (Costa et.al., 2025). Our approach has two shortcomings. First, we have not provided an upper bound, in terms of d, on the condition number of the Carleman matrix. Second, the success of the diagonalization is based on a conjecture that a specific trigonometric equation has no integral solution. However, we provide strategies to mitigate these shortcomings in most practical cases.
Nonlinear differential equations exhibit rich phenomena in many fields but are notoriously challenging to solve. Recently, Liu et al. [1] demonstrated the first efficient quantum algorithm for dissipative quadratic differential equations under the condition R<1R < 1R<1, where RRR measures the ratio of nonlinearity to dissipation using the ℓ2\ell_2ℓ2​ norm. Here we develop an efficient quantum algorithm based on [1] for reaction-diffusion equations, a class of nonlinear partial differential equations (PDEs). To achieve this, we improve upon the Carleman linearization approach introduced in [1] to obtain a faster convergence rate under the condition RD<1R_D < 1RD​<1, where RDR_DRD​ measures the ratio of nonlinearity to dissipation using the ℓ∞\ell_{\infty}ℓ∞​ norm. Since RDR_DRD​ is independent of the number of spatial grid points nnn while RRR increases with nnn, the criterion RD<1R_D<1RD​<1 is significantly milder than R<1R<1R<1 for high-dimensional systems and can stay convergent under grid refinement for approximating PDEs. As applications of our quantum algorithm we consider the Fisher-KPP and Allen-Cahn equations, which have interpretations in classical physics. In particular, we show how to estimate the mean square kinetic energy in the solution by postprocessing the quantum state that encodes it to extract derivative information.
Nonlinear stochastic differential equations (NSDEs) are a pillar of mathematical modeling for scientific and engineering applications. Accurate and efficient simulation of large-scale NSDEs is prohibitive on classical computers due to the large number of degrees of freedom, and it is challenging on quantum computers due to the linear and unitary nature of quantum mechanics. We develop a quantum algorithm to tackle nonlinear differential equations driven by the Ornstein-Uhlenbeck (OU) stochastic process. The query complexity of our algorithm scales logarithmically with the error tolerance and nearly quadratically with the simulation time. Our algorithmic framework comprises probabilistic Carleman linearization (PCL) to tackle nonlinearity coupled with stochasticity, and stochastic linear combination of Hamiltonian simulations (SLCHS) to simulate stochastic non-unitary dynamics. We obtain probabilistic exponential convergence for the Carleman linearization of Liu et al. [1], provided the NSDE is stable and reaches a steady state. We extend deterministic LCHS to stochastic linear differential equations, retaining near-optimal parameter scaling from An et al. [2] except for the nearly quadratic time scaling. This is achieved by using Monte Carlo integration for time discretization of both the stochastic inhomogeneous term in LCHS and the truncated Dyson series for each Hamiltonian simulation.
Computational modeling of cellular systems, where reactants are governed by biochemical equations and physical representations, requires extensive classical computing resources. These limitations significantly constrain the system size and spatiotemporal scales of simulations. A key challenge lies in the "curse of dimensionality", where the number of possible reaction terms grows exponentially with the number of species, and the computation of reaction rates involving many-body interactions becomes intractable in polynomial time on classical computers. In this work, we introduce a quantum algorithmic framework designed to overcome these challenges, leveraging the architecture of quantum computing to simultaneously compute reaction rates and track the spatiotemporal dynamical evolutions of subcellular systems. We generalize the reaction-diffusion equation (RDE) for multiscale systems with arbitrary species count, encompassing higher-order interactions. Our approach achieves two principal quantum advantages: (i) an exponential quantum speedup in reaction-rate computation, contingent on the efficient preparation of polynomially accurate ground states on a quantum computer, and (ii)) a quadratic scaling in spatial grid points and polynomial scaling in the number of species for solving nonlinear RDEs, contrasting sharply with classical methods that scale exponentially with the system's degrees of freedom. To our knowledge, this represents the first efficient quantum algorithm for solving multiscale reaction-diffusion systems. This framework opens the door to simulations of biologically relevant subcellular processes across previously inaccessible spatial and temporal scales, with profound implications for computational biology, soft matter physics, and biophysical modeling.
The solution of large systems of nonlinear differential equations is essential for many applications in science and engineering. We present three improvements to existing quantum algorithms based on the Carleman linearisation technique. First, we use a high-precision method for solving the linearised system that yields logarithmic dependence on the error and near-linear dependence on time. Second, we introduce a rescaling strategy that significantly reduces the cost, which would otherwise scale exponentially with the Carleman order, thus limiting quantum speedups for PDEs. Third, we derive tighter error bounds for Carleman linearisation. We apply our results to a class of discretised reaction-diffusion equations using higher-order finite differences for spatial resolution. We also show that enforcing a stability criterion independent of the discretisation can conflict with rescaling due to the mismatch between the max-norm and the 2-norm. Nonetheless, efficient quantum solutions remain possible when the number of discretisation points is constrained, as enabled by higher-order schemes.
This paper presents a quantum algorithm for solving the fractional Poisson equation (−Δ)su=f(-Δ)^s u = f(−Δ)su=f with s∈(0,1)s \in (0,1)s∈(0,1) on bounded domains. The proposed approach combines rational approximation techniques with quantum linear system solvers to achieve exponential quantum advantage. The rational approximation represents the inverse fractional Laplacian as a weighted sum of standard resolvents, transforming the original nonlocal problem into a collection of shifted integer-order partial differential equations. These equations are consolidated into a single large linear system through a modified right-hand side construction that simplifies the quantum implementation. To enable practical implementation, we develop explicit quantum circuits via the Schrödingerization technique, which converts the non-unitary dynamics of the linear system into a higher-dimensional Schrödinger-type equation, allowing the use of standard Hamiltonian simulation. The circuit construction leverages the decomposition of shift operators to realize the discrete Laplacian and employs controlled operations to implement the select oracle. Under finite difference discretization, we provide detailed algorithmic procedures utilizing block-encoding techniques for the coefficient matrices. A comprehensive complexity analysis demonstrates that the quantum algorithm achieves a dependence on the inverse mesh size h−1h^{-1}h−1 that is independent of the spatial dimension ddd, in stark contrast to classical methods which suffer from exponential growth in high dimensions. This establishes an exponential quantum advantage for high-dimensional fractional problems, effectively overcoming the curse of dimensionality that limits classical approaches.