Stochastic differential equation (SDE in short) solvers find numerous applications across various fields. However, in practical simulations, we usually resort to using Ito-Taylor series-based methods like the Euler-Maruyama method. These methods often suffer from the limitation of fixed time scales and recalculations for different Brownian motions, which lead to computational inefficiency, especially in generative and sampling models. To address these issues, we propose a novel approach: learning a mapping between the solution of SDE and corresponding Brownian motion. This mapping exhibits versatility across different scales and requires minimal paths for training. Specifically, we employ the DeepONet method to learn a nonlinear mapping. And we also assess the efficiency of this method through simulations conducted at varying time scales. Additionally, we evaluate its generalization performance to verify its good versatility in different scenarios.
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An efficient approximate version of implicit Taylor methods for initial-value problems of systems of ordinary differential equations (ODEs) is introduced. The approach, based on an approximate formulation of Taylor methods, produces a method that requires less evaluations of the function that defines the ODE and its derivatives than the usual version. On the other hand, an efficient numerical solution of the equation that arises from the discretization by means of Newton's method is introduced for an implicit scheme of any order. Numerical experiments illustrate that the resulting algorithm is simpler to implement and has better performance than its exact counterpart.
We propose a model for the coupling of flow and transport equations with porous membrane-type conditions on part of the boundary. The governing equations consist of the incompressible Navier--Stokes equations coupled with an advection-diffusion equation, and we employ a Lagrange multiplier to enforce the coupling between penetration velocity and transport on the membrane, while mixed boundary conditions are considered in the remainder of the boundary. We show existence and uniqueness of the continuous problem using a fixed-point argument. Next, an H(div)-conforming finite element formulation is proposed, and we address its a priori error analysis. The method uses an upwind approach that provides stability in the convection-dominated regime. We showcase a set of numerical examples validating the theory and illustrating the use of the new methods in the simulation of reverse osmosis processes.
We develop a sparse spectral method for a class of fractional differential equations, posed on $\mathbb{R}$, in one dimension. These equations can include sqrt-Laplacian, Hilbert, derivative and identity terms. The numerical method utilizes a basis consisting of weighted Chebyshev polynomials of the second kind in conjunction with their Hilbert transforms. The former functions are supported on $[-1,1]$ whereas the latter have global support. The global approximation space can contain different affine transformations of the basis, mapping $[-1,1]$ to other intervals. Remarkably, not only are the induced linear systems sparse, but the operator decouples across the different affine transformations. Hence, the solve reduces to solving $K$ independent sparse linear systems of size $\mathcal{O}(n)\times \mathcal{O}(n)$, with $\mathcal{O}(n)$ nonzero entries, where $K$ is the number of different intervals and $n$ is the highest polynomial degree contained in the sum space. This results in an $\mathcal{O}(n)$ complexity solve. Applications to fractional heat and wave equations are considered.
We provide a Lyapunov convergence analysis for time-inhomogeneous variable coefficient stochastic differential equations (SDEs). Three typical examples include overdamped, irreversible drift, and underdamped Langevin dynamics. We first formula the probability transition equation of Langevin dynamics as a modified gradient flow of the Kullback-Leibler divergence in the probability space with respect to time-dependent optimal transport metrics. This formulation contains both gradient and non-gradient directions depending on a class of time-dependent target distribution. We then select a time-dependent relative Fisher information functional as a Lyapunov functional. We develop a time-dependent Hessian matrix condition, which guarantees the convergence of the probability density function of the SDE. We verify the proposed conditions for several time-inhomogeneous Langevin dynamics. For the overdamped Langevin dynamics, we prove the $O(t^{-1/2})$ convergence in $L^1$ distance for the simulated annealing dynamics with a strongly convex potential function. For the irreversible drift Langevin dynamics, we prove an improved convergence towards the target distribution in an asymptotic regime. We also verify the convergence condition for the underdamped Langevin dynamics. Numerical examples demonstrate the convergence results for the time-dependent Langevin dynamics.
An adaptive method for parabolic partial differential equations that combines sparse wavelet expansions in time with adaptive low-rank approximations in the spatial variables is constructed and analyzed. The method is shown to converge and satisfy similar complexity bounds as existing adaptive low-rank methods for elliptic problems, establishing its suitability for parabolic problems on high-dimensional spatial domains. The construction also yields computable rigorous a posteriori error bounds for such problems. The results are illustrated by numerical experiments.
We propose a physics-constrained convolutional neural network (PC-CNN) to solve two types of inverse problems in partial differential equations (PDEs), which are nonlinear and vary both in space and time. In the first inverse problem, we are given data that is offset by spatially varying systematic error (i.e., the bias, also known as the epistemic uncertainty). The task is to uncover from the biased data the true state, which is the solution of the PDE. In the second inverse problem, we are given sparse information on the solution of a PDE. The task is to reconstruct the solution in space with high-resolution. First, we present the PC-CNN, which constrains the PDE with a simple time-windowing scheme to handle sequential data. Second, we analyse the performance of the PC-CNN for uncovering solutions from biased data. We analyse both linear and nonlinear convection-diffusion equations, and the Navier-Stokes equations, which govern the spatiotemporally chaotic dynamics of turbulent flows. We find that the PC-CNN correctly recovers the true solution for a variety of biases, which are parameterised as non-convex functions. Third, we analyse the performance of the PC-CNN for reconstructing solutions from biased data for the turbulent flow. We reconstruct the spatiotemporal chaotic solution on a high-resolution grid from only 2\% of the information contained in it. For both tasks, we further analyse the Navier-Stokes solutions. We find that the inferred solutions have a physical spectral energy content, whereas traditional methods, such as interpolation, do not. This work opens opportunities for solving inverse problems with partial differential equations.
We propose a new numerical domain decomposition method for solving elliptic equations on compact Riemannian manifolds. One advantage of this method is its ability to bypass the need for global triangulations or grids on the manifolds. Additionally, it features a highly parallel iterative scheme. To verify its efficacy, we conduct numerical experiments on some $4$-dimensional manifolds without and with boundary.
Partial differential equations (PDEs) have become an essential tool for modeling complex physical systems. Such equations are typically solved numerically via mesh-based methods, such as finite element methods, with solutions over the spatial domain. However, obtaining these solutions are often prohibitively costly, limiting the feasibility of exploring parameters in PDEs. In this paper, we propose an efficient emulator that simultaneously predicts the solutions over the spatial domain, with theoretical justification of its uncertainty quantification. The novelty of the proposed method lies in the incorporation of the mesh node coordinates into the statistical model. In particular, the proposed method segments the mesh nodes into multiple clusters via a Dirichlet process prior and fits Gaussian process models with the same hyperparameters in each of them. Most importantly, by revealing the underlying clustering structures, the proposed method can provide valuable insights into qualitative features of the resulting dynamics that can be used to guide further investigations. Real examples are demonstrated to show that our proposed method has smaller prediction errors than its main competitors, with competitive computation time, and identifies interesting clusters of mesh nodes that possess physical significance, such as satisfying boundary conditions. An R package for the proposed methodology is provided in an open repository.
In this paper we develop a classical algorithm of complexity $O(K \, 2^n)$ to simulate parametrized quantum circuits (PQCs) of $n$ qubits, where $K$ is the total number of one-qubit and two-qubit control gates. The algorithm is developed by finding $2$-sparse unitary matrices of order $2^n$ explicitly corresponding to any single-qubit and two-qubit control gates in an $n$-qubit system. Finally, we determine analytical expression of Hamiltonians for any such gate and consequently a local Hamiltonian decomposition of any PQC is obtained. All results are validated with numerical simulations.
Using validated numerical methods, interval arithmetic and Taylor models, we propose a certified predictor-corrector loop for tracking zeros of polynomial systems with a parameter. We provide a Rust implementation which shows tremendous improvement over existing software for certified path tracking.
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