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ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference (IDETC/CIE)

Simulating Stochastic Diffusions by Quantum Walks

Yan Wang

Published Aug 4, 2013• 6 citations
Publisher

Abstract

Stochastic differential equation (SDE) and Fokker-Planck equation (FPE) are two general approaches to describe the stochastic drift-diffusion processes. Solving SDEs relies on the Monte Carlo samplings of individual system trajectory, whereas FPEs describe the time evolution of overall distributions via path integral alike methods. The large state space and required small step size are the major challenges of computational efficiency in solving FPE numerically. In this paper, a generic continuous-time quantum walk formulation is developed to simulate stochastic diffusion processes. Stochastic diffusion in one-dimensional state space is modeled as the dynamics of an imaginary-time quantum system. The proposed quantum computational approach also drastically accelerates the path integrals with large step sizes. The new approach is compared with the traditional path integral method and the Monte Carlo trajectory sampling.

DOI
10.1115/detc2013-12739

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Stochastic differential equation (SDE) and Fokker-Planck equation (FPE) are two general approaches to describe the stochastic drift-diffusion processes. Solving SDEs relies on the Monte Carlo samplings of individual system trajectory, whereas FPEs describe the time evolution of overall distributions via path integral alike methods. The large state space and required small step size are the major challenges of computational efficiency in solving FPE numerically. In this paper, a generic continuous-time quantum walk formulation is developed to simulate stochastic diffusion processes. Stochastic diffusion in one-dimensional state space is modeled as the dynamics of an imaginary-time quantum system. The proposed quantum computational approach also drastically accelerates the path integrals with large step sizes. The new approach is compared with the traditional path integral method and the Monte Carlo trajectory sampling.
Stochastic diffusion is a general phenomenon observed in various national and engineering systems. It is typically modeled by either stochastic differential equation (SDE) or Fokker-Planck equation (FPE), which are equivalent approaches. Path integral is an accurate and effective method to solve FPEs. Yet, computational efficiency is the common challenge for path integral and other numerical methods, include time and space complexities. Previously, one-dimensional continuous-time quantum walk was used to simulate diffusion. By combining quantum diffusion and random diffusion, the new approach can accelerate the simulation with longer time steps than those in path integral. It was demonstrated that simulation can be dozens or even hundreds of times faster. In this paper, a new generic quantum operator is proposed to simulate drift-diffusion processes in high-dimensional space, which combines quantum walks on graphs with traditional path integral approaches. Probability amplitudes are computed efficiently by spectral analysis. The efficiency of the new method is demonstrated with stochastic resonance problems.
In this paper, we propose efficient quantum algorithms for solving nonlinear stochastic differential equations (SDE) via the associated Fokker-Planck equation (FPE). We discretize the FPE in space and time using two well-known numerical schemes, namely Chang-Cooper and implicit finite difference. We then compute the solution of the resulting system of linear equations using the quantum linear systems algorithm. We present detailed error and complexity analyses for both these schemes and demonstrate that our proposed algorithms, under certain conditions, provably compute the solution to the FPE within prescribedϵ\epsilonϵerror bounds with polynomial dependence on state dimensionddd. Classical numerical methods scale exponentially with dimension, thus, our approach, under the aforementioned conditions, provides an exponential speed-up over traditional approaches.
The Monte Carlo trajectory sampling of stochastic differential equations based on the quasiprobability distribution functions, such as the Glauber–Sudarshan P, Wigner, and Husimi Q functions, enables us to investigate bosonic open quantum many-body dynamics described by the Gorini–Kossakowski–Sudarshan–Lindblad (GKSL) equation. In this method, the Monte Carlo samplings for the initial distribution and stochastic noises incorporate quantum fluctuations, and thus, we can go beyond the mean-field approximation. However, description using stochastic differential equations is possible only when the corresponding Fokker–Planck equation has a positive-semidefinite diffusion matrix. In this work, we analytically derive the stochastic differential equations for arbitrary Hamiltonian and jump operators based on the path-integral formula, independently of the derivation of the Fokker–Planck equation. In the course of the derivation, we formulate the path-integral representation of the GKSL equation by using the -ordered quasiprobability distribution function, which systematically describes the aforementioned quasiprobability distribution functions by changing the real parameter . The essential point of this derivation is that we employ the Hubbard–Stratonovich transformation in the path integral, and its application is not always feasible. We find that the feasible condition of the Hubbard–Stratonovich transformation is identical to the positive-semidefiniteness condition of the diffusion matrix in the Fokker–Planck equation. In the benchmark calculations, we confirm that the Monte Carlo simulations of the obtained stochastic differential equations well reproduce the exact dynamics of physical quantities and non-equal time correlation functions of numerically solvable models, including the Bose–Hubbard model. This work clarifies the applicability of the approximation and gives systematic and simplified procedures to obtain the stochastic differential equations to be numerically solved.
Quantum Monte Carlo integration (QMCI), a quantum algorithm for calculating expectations that provides a quadratic speed-up compared to its classical counterpart, is now attracting increasing interest in the context of its industrial and scientific applications. In this paper, we propose the first application of QMCI to solving McKean-Vlasov stochastic differential equations (MVSDEs), a nonlinear class of SDEs whose drift and diffusion coefficients depend on the law μt\mu _{t}μt​ of the solution XtX_{t}Xt​ —appearing in fields such as finance and fluid mechanics. We focus on the problem setting where the coefficients depend on μt\mu _{t}μt​ through expectations of some functions E[φk(Xt)]\mathbb{E}[\varphi _{k}(X_{t})]E[φk​(Xt​)] , and the goal is to compute the expectation of a function E[ϕ(XT)]\mathbb{E}[\phi (X_{T})]E[ϕ(XT​)] at a terminal time T . We devise a quantum algorithm that leverages QMCI to compute these expectations, combined with a high-order time discretization method for SDEs and extrapolation of the expectations in time. The proposed algorithm estimates E[ϕ(XT)]\mathbb{E}[\phi (X_{T})]E[ϕ(XT​)] with accuracy ϵ , making O(1/ϵ1+2/p)O(1/\epsilon ^{1+2/p})O(1/ϵ1+2/p) queries to the quantum circuit for time evolution over one step, where p∈(1,2]p\in (1,2]p∈(1,2] is the weak order of the SDE discretization method. This demonstrates the speed-up over the well-known classical algorithm called the particle method with complexity of O(1/ϵ3)O(1/\epsilon ^{3})O(1/ϵ3) . We conduct numerical demonstrations of our quantum algorithm applied to examples of MVSDEs, with some parts emulated classically, and observe that the accuracy and complexity behave as expected.
Stochastic differential equations (SDEs) model noisy dynamical systems across quantitative finance, chemistry, physics, and climate science. Classical solvers-Euler-Maruyama schemes, Monte Carlo methods, and finite-difference PDE solvers for Fokker-Planck equations-suffer from exponential growth in computational cost with dimension and accuracy requirements. We present a family of quantum algorithms for simulating and solving SDEs with improved scaling. Our approach combines Hamiltonian simulation for drift terms, quantum random number generation for noise increments, and quantum amplitude estimation for computing expectations. For linear and semilinear SDEs with Lipschitz coefficients, we prove that relevant quantities (option prices, expected hitting times, moments) can be estimated to accuracy ε in time Õ(poly(d)polylog(1/ε)), versus classical O(poly(d)/ε 2). For nonlinear SDEs, we introduce variational quantum schemes leveraging parameterized circuits, with a priori error bounds and trainability analysis avoiding barren plateaus. We analyze multi-asset Black-Scholes models, Heston stochastic volatility, and Langevin dynamics for molecular coarse-graining, quantifying resource requirements (qubits, gate depth, oracle calls). Numerical simulations on small instances demonstrate polynomial-to-super-polynomial empirical speedups in accuracy for fixed runtime, establishing SDE solving as a promising quantum-accelerated task with practical applications.
The Monte Carlo sampling of the stochastic differential equations (SDEs) based on the quasiprobability distribution function, such as the Glauber--Sudarshan P, Wigner, and Husimi Q functions provides a powerful framework for investigating bosonic open quantum many-body dynamics described by the Gorini--Kossakowski--Sudarshan--Lindblad (GKSL) equation, while considering the effects of quantum fluctuations beyond the mean-field approximation. However, the stochastic Monte Carlo simulation is possible only when the corresponding Fokker--Planck equation has a positive-semidefinite diffusion matrix, and the general conditions for the diffusion matrix to be positive semidefinite have remained unclear. In this work, starting from the path integral formulation, we first derive the sufficient conditions under which the diffusion matrix is positive semidefinite for an arbitrary Hamiltonian, jump operators, and choice of quasiprobability distribution functions. We also analytically derive the corresponding SDEs to be solved. We then investigate the dynamics of the GKSL equation in the thermodynamic limit and show that, depending on the form of the jump operators, the mean-field approximation may fail to describe the dynamics accurately, making stochastic Monte Carlo simulations indispensable. Furthermore, we derive the sufficient conditions under which the higher-order quantum fluctuation terms beyond the Fokker--Planck description vanish identically, even when the jump operators contain quadratic terms. Under these conditions, whenever the corresponding SDEs can be derived, the stochastic Monte Carlo simulation reproduces the exact dynamics. These results clarify the conditions under which the stochastic Monte Carlo simulations are both feasible and necessary for accurately describing the dynamics governed by the GKSL equation in phase space.