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In this paper, we present three versions of proofs of the coercivity for first-order system least-squares methods for second-order elliptic PDEs. The first version is based on the a priori error estimate of the PDEs, which has the weakest assumption. For the second and third proofs, a sufficient condition on the coefficients ensuring the coercivity of the standard variational formulation is assumed. The second proof is a simple direct proof and the third proof is based on a lemma introduced in the discontinuous Petrov-Galerkin method. By pointing out the advantages and limitations of different proofs, we hope that the paper will provide a guide for future proofs. As an application, we also discuss least-squares finite element methods for problems with $H^{-1}$ righthand side.

In this paper, we investigate the energy minimization model of the ensemble Kohn-Sham density functional theory for metallic systems, in which a pseudo-eigenvalue matrix and a general smearing approach are involved. We study the invariance and the existence of the minimizer of the energy functional. We propose an adaptive double step size strategy and the corresponding preconditioned conjugate gradient methods for solving the energy minimization model. Under some mild but reasonable assumptions, we prove the global convergence of our algorithms. Numerical experiments show that our algorithms are efficient, especially for large scale metallic systems. In particular, our algorithms produce convergent numerical approximations for some metallic systems, for which the traditional self-consistent field iterations fail to converge.

We show that a specific skew-symmetric form of hyperbolic problems leads to energy conservation and an energy bound. Next, the compressible Euler equations is transformed to this skew-symmetric form and it is explained how to obtain an energy estimate. Finally we show that the new formulation lead to energy stable and energy conserving discrete approximations if the scheme is formulated on summation-by-parts form.

We investigate the problem of approximating the matrix function $f(A)$ by $r(A)$, with $f$ a Markov function, $r$ a rational interpolant of $f$, and $A$ a symmetric Toeplitz matrix. In a first step, we obtain a new upper bound for the relative interpolation error $1-r/f$ on the spectral interval of $A$. By minimizing this upper bound over all interpolation points, we obtain a new, simple and sharp a priori bound for the relative interpolation error. We then consider three different approaches of representing and computing the rational interpolant $r$. Theoretical and numerical evidence is given that any of these methods for a scalar argument allows to achieve high precision, even in the presence of finite precision arithmetic. We finally investigate the problem of efficiently evaluating $r(A)$, where it turns out that the relative error for a matrix argument is only small if we use a partial fraction decomposition for $r$ following Antoulas and Mayo. An important role is played by a new stopping criterion which ensures to automatically find the degree of $r$ leading to a small error, even in presence of finite precision arithmetic.

In this paper we study the numerical method for approximating the random periodic solution of semiliear stochastic evolution equations. The main challenge lies in proving a convergence over an infinite time horizon while simulating infinite-dimensional objects. We first show the existence and uniqueness of the random periodic solution to the equation as the limit of the pull-back flows of the equation, and observe that its mild form is well-defined in the intersection of a family of decreasing Hilbert spaces. Then we propose a Galerkin-type exponential integrator scheme and establish its convergence rate of the strong error to the mild solution, where the order of convergence directly depends on the space (among the family of Hilbert spaces) for the initial point to live. We finally conclude with the best order of convergence that is arbitrarily close to 0.5.

This paper presents a systematic theoretical framework to derive the energy identities of general implicit and explicit Runge--Kutta (RK) methods for linear seminegative systems. It generalizes the stability analysis of explicit RK methods in [Z. Sun and C.-W. Shu, SIAM J. Numer. Anal., 57 (2019), pp. 1158-1182]. The established energy identities provide a precise characterization on whether and how the energy dissipates in the RK discretization, thereby leading to weak and strong stability criteria of RK methods. Furthermore, we discover a unified energy identity for all the diagonal Pade approximations, based on an analytical Cholesky type decomposition of a class of symmetric matrices. The structure of the matrices is very complicated, rendering the discovery of the unified energy identity and the proof of the decomposition highly challenging. Our proofs involve the construction of technical combinatorial identities and novel techniques from the theory of hypergeometric series. Our framework is motivated by a discrete analogue of integration by parts technique and a series expansion of the continuous energy law. In some special cases, our analyses establish a close connection between the continuous and discrete energy laws, enhancing our understanding of their intrinsic mechanisms. Several specific examples of implicit methods are given to illustrate the discrete energy laws. A few numerical examples further confirm the theoretical properties.

The asymptotic stable region and long-time decay rate of solutions to linear homogeneous Caputo time fractional ordinary differential equations (F-ODEs) are known to be completely determined by the eigenvalues of the coefficient matrix. Very different from the exponential decay of solutions to classical ODEs, solutions of F-ODEs decay only polynomially, leading to the so-called Mittag-Leffler stability, which was already extended to semi-linear F-ODEs with small perturbations. This work is mainly devoted to the qualitative analysis of the long-time behavior of numerical solutions. By applying the singularity analysis of generating functions developed by Flajolet and Odlyzko (SIAM J. Disc. Math. 3 (1990), 216-240), we are able to prove that both $\mathcal{L}$1 scheme and strong $A$-stable fractional linear multistep methods (F-LMMs) can preserve the numerical Mittag-Leffler stability for linear homogeneous F-ODEs exactly as in the continuous case. Through an improved estimate of the discrete fractional resolvent operator, we show that strong $A$-stable F-LMMs are also Mittag-Leffler stable for semi-linear F-ODEs under small perturbations. For the numerical schemes based on $\alpha$-difference approximation to Caputo derivative, we establish the Mittag-Leffler stability for semi-linear problems by making use of properties of the Poisson transformation and the decay rate of the continuous fractional resolvent operator. Numerical experiments are presented for several typical time fractional evolutional equations, including time fractional sub-diffusion equations, fractional linear system and semi-linear F-ODEs. All the numerical results exhibit the typical long-time polynomial decay rate, which is fully consistent with our theoretical predictions.

Stochastic PDE eigenvalue problems often arise in the field of uncertainty quantification, whereby one seeks to quantify the uncertainty in an eigenvalue, or its eigenfunction. In this paper we present an efficient multilevel quasi-Monte Carlo (MLQMC) algorithm for computing the expectation of the smallest eigenvalue of an elliptic eigenvalue problem with stochastic coefficients. Each sample evaluation requires the solution of a PDE eigenvalue problem, and so tackling this problem in practice is notoriously computationally difficult. We speed up the approximation of this expectation in four ways: we use a multilevel variance reduction scheme to spread the work over a hierarchy of FE meshes and truncation dimensions; we use QMC methods to efficiently compute the expectations on each level; we exploit the smoothness in parameter space and reuse the eigenvector from a nearby QMC point to reduce the number of iterations of the eigensolver; and we utilise a two-grid discretisation scheme to obtain the eigenvalue on the fine mesh with a single linear solve. The full error analysis of a basic MLQMC algorithm is given in the companion paper [Gilbert and Scheichl, 2022], and so in this paper we focus on how to further improve the efficiency and provide theoretical justification for using nearby QMC points and two-grid methods. Numerical results are presented that show the efficiency of our algorithm, and also show that the four strategies we employ are complementary.

Stochastic PDE eigenvalue problems are useful models for quantifying the uncertainty in several applications from the physical sciences and engineering, e.g., structural vibration analysis, the criticality of a nuclear reactor or photonic crystal structures. In this paper we present a simple multilevel quasi-Monte Carlo (MLQMC) method for approximating the expectation of the minimal eigenvalue of an elliptic eigenvalue problem with coefficients that are given as a series expansion of countably-many stochastic parameters. The MLQMC algorithm is based on a hierarchy of discretisations of the spatial domain and truncations of the dimension of the stochastic parameter domain. To approximate the expectations, randomly shifted lattice rules are employed. This paper is primarily dedicated to giving a rigorous analysis of the error of this algorithm. A key step in the error analysis requires bounds on the mixed derivatives of the eigenfunction with respect to both the stochastic and spatial variables simultaneously. Under stronger smoothness assumptions on the parametric dependence, our analysis also extends to multilevel higher-order quasi-Monte Carlo rules. An accompanying paper [Gilbert and Scheichl, 2022], focusses on practical extensions of the MLQMC algorithm to improve efficiency, and presents numerical results.

The main contribution of this paper is a new submap joining based approach for solving large-scale Simultaneous Localization and Mapping (SLAM) problems. Each local submap is independently built using the local information through solving a small-scale SLAM; the joining of submaps mainly involves solving linear least squares and performing nonlinear coordinate transformations. Through approximating the local submap information as the state estimate and its corresponding information matrix, judiciously selecting the submap coordinate frames, and approximating the joining of a large number of submaps by joining only two maps at a time, either sequentially or in a more efficient Divide and Conquer manner, the nonlinear optimization process involved in most of the existing submap joining approaches is avoided. Thus the proposed submap joining algorithm does not require initial guess or iterations since linear least squares problems have closed-form solutions. The proposed Linear SLAM technique is applicable to feature-based SLAM, pose graph SLAM and D-SLAM, in both two and three dimensions, and does not require any assumption on the character of the covariance matrices. Simulations and experiments are performed to evaluate the proposed Linear SLAM algorithm. Results using publicly available datasets in 2D and 3D show that Linear SLAM produces results that are very close to the best solutions that can be obtained using full nonlinear optimization algorithm started from an accurate initial guess. The C/C++ and MATLAB source codes of Linear SLAM are available on OpenSLAM.