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An Adaptive Reduced Basis Collocation Method Based on PCM ANOVA Decomposition for Anisotropic Stochastic PDEs

The combination of reduced basis and collocation methods enables efficient and accurate evaluation of the solutions to parameterized PDEs. Here, we study the stochastic collocation methods that can be combined with reduced basis methods to solve high-dimensional parameterized stochastic PDEs. We also propose an adaptive algorithm using a probabilistic collocation method (PCM) and ANOVA decomposition. This procedure involves two stages. First, the method employs an ANOVA decomposition to identify the effective dimensions, i.e., subspaces of the parameter space in which the contributions to the solution are larger, and sort the reduced basis solution in a descending order of error.Then, the adaptive search refines the parametric space by increasing the order of polynomials until the algorithm is terminated by a saturation constraint. We demonstrate the effectiveness of the proposed algorithm for solving a stationary stochastic convection-diffusion equation, a benchmark problem chosen because solutions contain steep boundary layers and anisotropic features. Lastly, we show that two stages of adaptivity are critical in a benchmark problem with anisotropic stochasticity.

97 MATHEMATICS AND COMPUTING↗

Collocation Methods for Exploring Perturbations in Linear Stability Analysis

Eigenvalue analysis is a well-established tool for stability analysis of dynamical systems. However, there are situations where eigenvalues miss some important features of physical models. For example, in models of incompressible fluid dynamics, there are examples where linear stability analysis predicts stability but transient simulations exhibit significant growth of infinitesimal perturbations. This behavior can be predicted by pseudospectral analysis. In this study, we show that an approach similar to pseudospectral analysis can be performed inexpensively using stochastic collocation methods and the results can be used to provide quantitative information about instability.In addition, we demonstrate that the results of the perturbation analysis provide insight into the behavior of unsteady flow simulations.

97 MATHEMATICS AND COMPUTING↗

Asymptotically compatible reproducing kernel collocation and meshfree integration for the peridynamic Navier equation

Here, we study reproducing kernel (RK) collocation method for peridynamic Navier equation. In the first part, we apply a linear RK approximation to both displacement and dilatation, and then back-substitute dilatation and solve the peridynamic Navier equation in a pure displacement form. The RK collocation scheme converges to the nonlocal limit for a fixed nonlocal interaction length and also to the local limit as nonlocal interactions vanish. The stability is shown by comparing the collocation scheme with the standard Galerkin scheme using Fourier analysis. In the second part, we apply the RK collocation to the quasi-discrete peridynamic Navier equation and show its convergence to the correct local limit when the ratio between the nonlocal length scale and the discretization parameter is fixed. The analysis is carried out on a special family of rectilinear Cartesian grids for the RK collocation method with a designated kernel with finite support. We assume the Lamé parameters satisfy λ ≥ μ to avoid extra assumptions on the nonlocal kernel. Finally, numerical experiments are conducted to validate the theoretical results.

42 ENGINEERING↗

Asymptotically Compatible Reproducing Kernel Collocation and Meshfree Integration for Nonlocal Diffusion

Reproducing kernel (RK) approximations are meshfree methods that construct shape functions from sets of scattered data. We present an asymptotically compatible (AC) RK collocation method for nonlocal diffusion models with Dirichlet boundary condition. The numerical scheme is shown to be convergent to both nonlocal diffusion and its corresponding local limit as nonlocal interaction vanishes. The analysis is carried out on a special family of rectilinear Cartesian grids for a linear RK method with designed kernel support. The key idea for the stability of the RK collocation scheme is to compare the collocation scheme with the standard Galerkin scheme, which is stable. In addition, assembling the stiffness matrix of the nonlocal problem requires costly computational resources because high-order Gaussian quadrature is necessary to evaluate the integral. We thus provide a remedy to the problem by introducing a quasi-discrete nonlocal diffusion operator for which no numerical quadrature is further needed after applying the RK collocation scheme. The quasi-discrete nonlocal diffusion operator combined with RK collocation is shown to be convergent to the correct local diffusion problem by taking the limits of nonlocal interaction and spatial resolution simultaneously. The theoretical results are then validated with numerical experiments. We additionally illustrate a connection between the proposed technique and an existing optimization based approach based on generalized moving least squares.

97 MATHEMATICS AND COMPUTING↗

Tensor Network Space-Time Spectral Collocation Method for Time-Dependent Convection-Diffusion-Reaction Equations

Emerging tensor network techniques for solutions of partial differential equations (PDEs), known for their ability to break the curse of dimensionality, deliver new mathematical methods for ultra-fast numerical solutions of high-dimensional problems. Here, we introduce a Tensor Train (TT) Chebyshev spectral collocation method, in both space and time, for the solution of the time-dependent convection-diffusion-reaction (CDR) equation with inhomogeneous boundary conditions, in Cartesian geometry. Previous methods for numerical solution of time-dependent PDEs often used finite difference for time, and a spectral scheme for the spatial dimensions, which led to a slow linear convergence. Spectral collocation space-time methods show exponential convergence; however, for realistic problems they need to solve large four-dimensional systems. We overcome this difficulty by using a TT approach, as its complexity only grows linearly with the number of dimensions. We show that our TT space-time Chebyshev spectral collocation method converges exponentially, when the solution of the CDR is smooth, and demonstrate that it leads to a very high compression of linear operators from terabytes to kilobytes in TT-format, and a speedup of tens of thousands of times when compared to a full-grid space-time spectral method. These advantages allow us to obtain the solutions at much higher resolutions.

97 MATHEMATICS AND COMPUTING↗

Exponential time differencing methods with Chebyshev collocation for polymers confined by interacting surfaces

We present a fast and accurate numerical method for the self-consistent field theory calculations of confined polymer systems. It introduces an exponential time differencing method (ETDRK4) based on Chebyshev collocation, which exhibits fourth-order accuracy in temporal domain and spectral accuracy in spatial domain, to solve the modified diffusion equations. Similar to the approach proposed by Hur et al. [Macromolecules 45, 2905 (2012)], non-periodic boundary conditions are adopted to model the confining walls with or without preferential interactions with polymer species, avoiding the use of surface field terms and the mask technique in a conventional approach. The performance of ETDRK4 is examined in comparison with the operator splitting methods with either Fourier collocation or Chebyshev collocation. Numerical experiments show that our exponential time differencing method is more efficient than the operator splitting methods in high accuracy calculations. This method has been applied to diblock copolymers confined by two parallel flat surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A multilevel stochastic collocation method for SPDEs

We present a multilevel stochastic collocation method that, as do multilevel Monte Carlo methods, uses a hierarchy of spatial approximations to reduce the overall computational complexity when solving partial differential equations with random inputs. For approximation in parameter space, a hierarchy of multi-dimensional interpolants of increasing fidelity are used. Rigorous convergence and computational cost estimates for the new multilevel stochastic collocation method are derived and used to demonstrate its advantages compared to standard single-level stochastic collocation approximations as well as multilevel Monte Carlo methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An accurate and asymptotically compatible collocation scheme for nonlocal diffusion problems

Here, in this paper, we develop and analyze a collocation scheme for solving the linear nonlocal diffusion problem with general kernels. To approximate the nonlocal diffusion operator, we take a classic trapezoidal rule based on the linear interpolation as the starting point, and then carefully derive a new improved quadrature rule, which is not only more accurate but also could avoid the evaluations of singular integrals. We then use this rule to construct a collocation scheme for solving the nonlocal diffusion equations, that produces a symmetric positive definite stiffness matrix with Toeplitz structure. The proposed scheme is rigorously shown to be of second order accurate with respect to the mesh size for the nonlocal problem with fixed horizon, and in particular, it can achieve higher order accuracy for the commonly used kernels in the literature. Furthermore, we also prove that the scheme is asymptotically compatible, i.e., the approximate solution of the nonlocal diffusion problem converges to the exact solution of the corresponding local PDE problem when the horizon and the mesh size both go to zero. Finally, numerical experiments are presented to verify the theoretical results.

97 MATHEMATICS AND COMPUTING↗

Computational Fluid Dynamics Using the Adaptive Wavelet-Collocation Method

Advancements to the adaptive wavelet-collocation method over the last decade have opened up a number of new possible areas for active research. Volume penalization techniques allow complex immersed boundary conditions to be used with high efficiency for both internal and external flows. Anisotropic methods make it possible to use body-fitted meshes while still taking advantage of the dynamic adaptability properties wavelet-based methods provide. The parallelization of the approach has made it possible to perform large high-resolution simulations of detonation initiation and fluid instabilities to uncover new physical insights that would otherwise be difficult to discover. Other developments include space-time adaptive methods and nonreflecting boundary conditions. This article summarizes the work performed using the adaptive wavelet-collocation method developed by Vasilyev and coworkers over the past decade.

42 ENGINEERING↗

A splitting Chebyshev collocation method for Schrödinger–Poisson system

We develop a splitting Chebyshev collocation (SCC) method for the time-dependent Schrödinger–Poisson (SP) system arising from theoretical analysis of quantum plasmas. By means of splitting technique in time, the time-dependant SP system is first reduced to uncoupled Schrödinger and Poisson equations at every time step. The space variables in Schrödinger and Poisson equations are next represented by high-order Chebyshev polynomials, and the resulting system are discretized by the spectral collocation method. Finally, matrix diagonalization technique is applied to solve the fully discretized system in one dimension, two dimensions and three dimensions, respectively. The newly proposed method not only achieves spectral accuracy in space but also reduces the computer-memory requirements and the computational time in comparison with conventional solver. Numerical results confirm the spectral accuracy and efficiency of this method, and indicate that the SCC method could be an efficient alternative method for simulating the dynamics of quantum plasmas.

97 MATHEMATICS AND COMPUTING↗

Jacobi collocation scheme for variable-order fractional reaction-subdiffusion equation

We developed a numerical scheme to solve the variable-order fractional linear subdiffusion and nonlinear reaction-subdiffusion equations using the shifted Jacobi collocation method. Basically, a time-space collocation approximation for temporal and spatial discretizations is employed efficiently to tackle these equations. The convergence and stability analyses of the suggested basis functions are presented in-depth. The validity and efficiency of the proposed method are investigated and verified through numerical examples.

97 MATHEMATICS AND COMPUTING↗

A two-stage adaptive stochastic collocation method on nested sparse grids for multiphase flow in randomly heterogeneous porous media

A new computational method is proposed for efficient uncertainty quantification of multiphase flow in porous media with stochastic permeability. For pressure estimation, it combines the dimension-adaptive stochastic collocation method on Smolyak sparse grids and the Kronrod–Patterson–Hermite nested quadrature formulas. For saturation estimation, an additional stage is developed, in which the pressure and velocity samples are first generated by the sparse grid interpolation and then substituted into the transport equation to solve for the saturation samples, to address the low regularity problem of the saturation. Numerical examples are presented for multiphase flow with stochastic permeability fields to demonstrate accuracy and efficiency of the proposed two-stage adaptive stochastic collocation method on nested sparse grids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra

In this paper, we improve the collocation method for computing vibrational spectra that was presented in Avila and Carrington, Jr. [J. Chem. Phys. 139, 134114 (2013)]. Using an iterative eigensolver, energy levels and wavefunctions are determined from values of the potential on a Smolyak grid. The kinetic energy matrix-vector product is evaluated by transforming a vector labelled with (nondirect product) grid indices to a vector labelled by (nondirect product) basis indices. Both the transformation and application of the kinetic energy operator (KEO) scale favorably. Collocation facilitates dealing with complicated KEOs because it obviates the need to calculate integrals of coordinate dependent coefficients of differential operators. The ideas are tested by computing energy levels of HONO using a KEO in bond coordinates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Christoffel function weighted least squares algorithm for collocation approximations

Here, we propose, theoretically investigate, and numerically validate an algorithm for the Monte Carlo solution of least-squares polynomial approximation problems in a collocation framework. Our investigation is motivated by applications in the collocation approximation of parametric functions, which frequently entails construction of surrogates via orthogonal polynomials. A standard Monte Carlo approach would draw samples according to the density defining the orthogonal polynomial family. Our proposed algorithm instead samples with respect to the (weighted) pluripotential equilibrium measure of the domain, and subsequently solves a weighted least-squares problem, with weights given by evaluations of the Christoffel function. We present theoretical analysis to motivate the algorithm, and numerical results that show our method is superior to standard Monte Carlo methods in many situations of interest.

97 MATHEMATICS AND COMPUTING↗