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In this paper we propose a method to approximate the Gaussian function on ${\mathbb R}$ by a short cosine sum. We extend the differential approximation method proposed in [4,39] to approximate $\mathrm{e}^{-t^{2}/2\sigma}$ in the weighted space $L_2({\mathbb R}, \mathrm{e}^{-t^{2}/2\rho})$ where $\sigma, \, \rho >0$. We prove that the optimal frequency parameters $\lambda_1, \ldots , \lambda_{N}$ for this method in the approximation problem $ \min\limits_{\lambda_{1},\ldots, \lambda_{N}, \gamma_{1} \ldots \gamma_{N}}\|\mathrm{e}^{-\cdot^{2}/2\sigma} - \sum\limits_{j=1}^{N} \gamma_{j} \, {\mathrm e}^{\lambda_{j} \cdot}\|_{L_{2}({\mathbb R}, \mathrm{e}^{-t^{2}/2\rho})}$, are zeros of a scaled Hermite polynomial. This observation leads us to a numerically stable approximation method with low computational cost of $\mathit{O}(N^{3})$ operations. Furthermore, we derive a direct algorithm to solve this approximation problem based on a matrix pencil method for a special structured matrix. The entries of this matrix are determined by hypergeometric functions. For the weighted $L_{2}$-norm, we prove that the approximation error decays exponentially with respect to the length $N$ of the sum. An exponentially decaying error in the (unweighted) $L^{2}$-norm is achieved using a truncated cosine sum.

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A general a posteriori error analysis applies to five lowest-order finite element methods for two fourth-order semi-linear problems with trilinear non-linearity and a general source. A quasi-optimal smoother extends the source term to the discrete trial space, and more importantly, modifies the trilinear term in the stream-function vorticity formulation of the incompressible 2D Navier-Stokes and the von K\'{a}rm\'{a}n equations. This enables the first efficient and reliable a posteriori error estimates for the 2D Navier-Stokes equations in the stream-function vorticity formulation for Morley, two discontinuous Galerkin, $C^0$ interior penalty, and WOPSIP discretizations with piecewise quadratic polynomials.

We introduce a new discretization based on the Trefftz-DG method for solving the Stokes equations. Discrete solutions of a corresponding method fulfill the Stokes equation pointwise within each element and yield element-wise divergence-free solutions. Compared to standard DG methods, a strong reduction of the degrees of freedom is achieved, especially for higher order polynomial degrees. In addition, in contrast to many other Trefftz-DG methods, our approach allows to easily incorporate inhomogeneous right hand sides (driving forces) by using the concept of the embedded Trefftz-DG method. On top of a detailed a priori error analysis, we further compare our approach to standard discontinuous Galerkin Stokes discretizations and present numerical examples.

The sequential composition of propositional logic programs has been recently introduced. This paper studies the sequential {\em decomposition} of programs by studying Green's relations $\mathcal{L,R,J}$ -- well-known in semigroup theory -- between programs. In a broader sense, this paper is a further step towards an algebraic theory of logic programming.

In the Activation Edge-Multicover problem we are given a multigraph $G=(V,E)$ with activation costs $\{c_{e}^u,c_{e}^v\}$ for every edge $e=uv \in E$, and degree requirements $r=\{r_v:v \in V\}$. The goal is to find an edge subset $J \subseteq E$ of minimum activation cost $\sum_{v \in V}\max\{c_{uv}^v:uv \in J\}$,such that every $v \in V$ has at least $r_v$ neighbors in the graph $(V,J)$. Let $k= \max_{v \in V} r_v$ be the maximum requirement and let $\theta=\max_{e=uv \in E} \frac{\max\{c_e^u,c_e^v\}}{\min\{c_e^u,c_e^v\}}$ be the maximum quotient between the two costs of an edge. For $\theta=1$ the problem admits approximation ratio $O(\log k)$. For $k=1$ it generalizes the Set Cover problem (when $\theta=\infty$), and admits a tight approximation ratio $O(\log n)$. This implies approximation ratio $O(k \log n)$ for general $k$ and $\theta$, and no better approximation ratio was known. We obtain the first logarithmic approximation ratio $O(\log k +\log\min\{\theta,n\})$, that bridges between the two known ratios -- $O(\log k)$ for $\theta=1$ and $O(\log n)$ for $k=1$. This implies approximation ratio $O\left(\log k +\log\min\{\theta,n\}\right) +\beta \cdot (\theta+1)$ for the Activation $k$-Connected Subgraph problem, where $\beta$ is the best known approximation ratio for the ordinary min-cost version of the problem.

In this paper, we propose the Ordered Median Tree Location Problem (OMT). The OMT is a single-allocation facility location problem where p facilities must be placed on a network connected by a non-directed tree. The objective is to minimize the sum of the ordered weighted averaged allocation costs plus the sum of the costs of connecting the facilities in the tree. We present different MILP formulations for the OMT based on properties of the minimum spanning tree problem and the ordered median optimization. Given that ordered median hub location problems are rather difficult to solve we have improved the OMT solution performance by introducing covering variables in a valid reformulation plus developing two pre-processing phases to reduce the size of this formulations. In addition, we propose a Benders decomposition algorithm to approach the OMT. We establish an empirical comparison between these new formulations and we also provide enhancements that together with a proper formulation allow to solve medium size instances on general random graphs.

In this paper, we develop a domain-decomposition method for the generalized Poisson-Boltzmann equation based on a solvent-excluded surface which is widely used in computational chemistry. The solver requires to solve a generalized screened Poisson (GSP) equation defined in $\mathbb{R}^3$ with a space-dependent dielectric permittivity and an ion-exclusion function that accounts for Steric effects. Potential theory arguments transform the GSP equation into two-coupled equations defined in a bounded domain. Then, the Schwarz decomposition method is used to formulate local problems by decomposing the cavity into overlapping balls and only solving a set of coupled sub-equations in each ball in which, the spherical harmonics and the Legendre polynomials are used as basis functions in the angular and radial directions. A series of numerical experiments are presented to test the method.

This paper presents a numerical method for the simulation of elastic solid materials coupled to fluid inclusions. The application is motivated by the modeling of vascularized tissues and by problems in medical imaging which target the estimation of effective (i.e., macroscale) material properties, taking into account the influence of microscale dynamics, such as fluid flow in the microvasculature. The method is based on the recently proposed Reduced Lagrange Multipliers framework. In particular, the interface between solid and fluid domains is not resolved within the computational mesh for the elastic material but discretized independently, imposing the coupling condition via non-matching Lagrange multipliers. Exploiting the multiscale properties of the problem, the resulting Lagrange multipliers space is reduced to a lower-dimensional characteristic set. We present the details of the stability analysis of the resulting method considering a non-standard boundary condition that enforces a local deformation on the solid-fluid boundary. The method is validated with several numerical examples.

This study focuses on the use of model and data fusion for improving the Spalart-Allmaras (SA) closure model for Reynolds-averaged Navier-Stokes solutions of separated flows. In particular, our goal is to develop of models that not-only assimilate sparse experimental data to improve performance in computational models, but also generalize to unseen cases by recovering classical SA behavior. We achieve our goals using data assimilation, namely the Ensemble Kalman Filtering approach (EnKF), to calibrate the coefficients of the SA model for separated flows. A holistic calibration strategy is implemented via a parameterization of the production, diffusion, and destruction terms. This calibration relies on the assimilation of experimental data collected velocity profiles, skin friction, and pressure coefficients for separated flows. Despite using of observational data from a single flow condition around a backward-facing step (BFS), the recalibrated SA model demonstrates generalization to other separated flows, including cases such as the 2D-bump and modified BFS. Significant improvement is observed in the quantities of interest, i.e., skin friction coefficient ($C_f$) and pressure coefficient ($C_p$) for each flow tested. Finally, it is also demonstrated that the newly proposed model recovers SA proficiency for external, unseparated flows, such as flow around a NACA-0012 airfoil without any danger of extrapolation, and that the individually calibrated terms in the SA model are targeted towards specific flow-physics wherein the calibrated production term improves the re-circulation zone while destruction improves the recovery zone.

This paper investigates the properties of Quasi Maximum Likelihood estimation of an approximate factor model for an $n$-dimensional vector of stationary time series. We prove that the factor loadings estimated by Quasi Maximum Likelihood are asymptotically equivalent, as $n\to\infty$, to those estimated via Principal Components. Both estimators are, in turn, also asymptotically equivalent, as $n\to\infty$, to the unfeasible Ordinary Least Squares estimator we would have if the factors were observed. We also show that the usual sandwich form of the asymptotic covariance matrix of the Quasi Maximum Likelihood estimator is asymptotically equivalent to the simpler asymptotic covariance matrix of the unfeasible Ordinary Least Squares. These results hold in the general case in which the idiosyncratic components are cross-sectionally heteroskedastic, as well as serially and cross-sectionally weakly correlated. This paper provides a simple solution to computing the Quasi Maximum Likelihood estimator and its asymptotic confidence intervals without the need of running any iterated algorithm, whose convergence properties are unclear, and estimating the Hessian and Fisher information matrices, whose expressions are very complex.

Partial differential equations (PDEs) are used to describe a variety of physical phenomena. Often these equations do not have analytical solutions and numerical approximations are used instead. One of the common methods to solve PDEs is the finite element method. Computing derivative information of the solution with respect to the input parameters is important in many tasks in scientific computing. We extend JAX automatic differentiation library with an interface to Firedrake finite element library. High-level symbolic representation of PDEs allows bypassing differentiating through low-level possibly many iterations of the underlying nonlinear solvers. Differentiating through Firedrake solvers is done using tangent-linear and adjoint equations. This enables the efficient composition of finite element solvers with arbitrary differentiable programs. The code is available at github.com/IvanYashchuk/jax-firedrake.

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