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This paper addresses the numerical solution of nonlinear eigenvector problems such as the Gross-Pitaevskii and Kohn-Sham equation arising in computational physics and chemistry. These problems characterize critical points of energy minimization problems on the infinite-dimensional Stiefel manifold. To efficiently compute minimizers, we propose a novel Riemannian gradient descent method induced by an energy-adaptive metric. Quantified convergence of the methods is established under suitable assumptions on the underlying problem. A non-monotone line search and the inexact evaluation of Riemannian gradients substantially improve the overall efficiency of the method. Numerical experiments illustrate the performance of the method and demonstrates its competitiveness with well-established schemes., accepted for publication in M2AN

This paper presents a method for the numerical treatment of reaction-convection-diffusion problems with parameter-dependent coefficients that are arbitrary rough and possibly varying at a very fine scale. The presented technique combines the reduced basis (RB) framework with the recently proposed super-localized orthogonal decomposition (SLOD). More specifically, the RB is used for accelerating the typically costly SLOD basis computation, while the SLOD is employed for an efficient compression of the problem's solution operator requiring coarse solves only. The combined advantages of both methods allow one to tackle the challenges arising from parametric heterogeneous coefficients. Given a value of the parameter vector, the method outputs a corresponding compressed solution operator which can be used to efficiently treat multiple, possibly non-affine, right-hand sides at the same time, requiring only one coarse solve per right-hand side., 27 pages, 6 figures

This paper proposes novel computational multiscale methods for linear second-order elliptic partial differential equations in nondivergence-form with heterogeneous coefficients satisfying a Cordes condition. The construction follows the methodology of localized orthogonal decomposition (LOD) and provides operator-adapted coarse spaces by solving localized cell problems on a fine scale in the spirit of numerical homogenization. The degrees of freedom of the coarse spaces are related to nonconforming and mixed finite element methods for homogeneous problems. The rigorous error analysis of one exemplary approach shows that the favorable properties of the LOD methodology known from divergence-form PDEs, i.e., its applicability and accuracy beyond scale separation and periodicity, remain valid for problems in nondivergence-form., 24 pages

This paper presents computationally feasible rank-one relaxation algorithms for the efficient simulation of a time-incremental damage model with nonconvex incremental stress potentials in multiple spatial dimensions. While the standard model suffers from numerical issues due to the lack of convexity, our experiments showed that the relaxation by rank-one convexification delivering an approximation to the quasiconvex envelope prevents mesh dependence of the solutions of finite element discretizations. By the combination, modification and parallelization of the underlying convexification algorithms, the novel approach becomes computationally feasible. A descent method and a Newton scheme enhanced by step-size control prevent stability issues related to local minima in the energy landscape and the computation of derivatives. Numerical techniques for the construction of continuous derivatives of the approximated rank-one convex envelope are discussed. A series of numerical experiments demonstrates the ability of the computationally relaxed model to capture softening effects and the mesh independence of the computed approximations. An interpretation in terms of microstructural damage evolution is given, based on the rank-one lamination process.

This paper presents a multi-scale method for convection-dominated diffusion problems in the regime of large P\'eclet numbers. The application of the solution operator to piecewise constant right-hand sides on some arbitrary coarse mesh defines a finite-dimensional coarse ansatz space with favorable approximation properties. For some relevant error measures, including the $L^2$-norm, the Galerkin projection onto this generalized finite element space even yields $\varepsilon$-independent error bounds, $\varepsilon$ being the singular perturbation parameter. By constructing an approximate local basis, the approach becomes a novel multi-scale method in the spirit of the Super-Localized Orthogonal Decomposition (SLOD). The error caused by basis localization can be estimated in an a-posteriori way. In contrast to existing multi-scale methods, numerical experiments indicate $\varepsilon$-independent convergence without preasymptotic effects even in the under-resolved regime of large mesh P\'eclet numbers., Comment: 26 pages, 11 figures

This paper presents a novel multi-scale method for elliptic partial differential equations with arbitrarily rough coefficients. In the spirit of numerical homogenization, the method constructs problem-adapted ansatz spaces with uniform algebraic approximation rates. Localized basis functions with the same super-exponential localization properties as the recently proposed Super-Localized Orthogonal Decomposition enable an efficient implementation. The method's basis stability is enforced using a partition of unity approach. A natural extension to higher order is presented, resulting in higher approximation rates and enhanced localization properties. We perform a rigorous a priori and a posteriori error analysis and confirm our theoretical findings in a series of numerical experiments. In particular, we demonstrate the method's applicability for challenging high-contrast channeled coefficients., Comment: 24 pages, 6 figures

We introduce a novel multi-resolution Localized Orthogonal Decomposition (LOD) for time-harmonic acoustic scattering problems that can be modeled by the Helmholtz equation. The method merges the concepts of LOD and operator-adapted wavelets (gamblets) and proves its applicability for a class of complex-valued, non-hermitian and indefinite problems. It computes hierarchical bases that block-diagonalize the Helmholtz operator and thereby decouples the discretization scales. Sparsity is preserved by a novel localization strategy that improves stability properties even in the elliptic case. We present a rigorous stability and a-priori error analysis of the proposed method for homogeneous media. In addition, we investigate the fast solvability of the blocks by a standard iterative method. A sequence of numerical experiments illustrates the sharpness of the theoretical findings and demonstrates the applicability to scattering problems in heterogeneous media., 27 pages, 9 figures

We propose a novel variant of the Localized Orthogonal Decomposition (LOD) method for time-harmonic scattering problems of Helmholtz type with high wavenumber $\kappa$. On a coarse mesh of width $H$, the proposed method identifies local finite element source terms that yield rapidly decaying responses under the solution operator. They can be constructed to high accuracy from independent local snapshot solutions on patches of width $\ell H$ and are used as problem-adapted basis functions in the method. In contrast to the classical LOD and other state-of-the-art multi-scale methods, the localization error decays super-exponentially as the oversampling parameter $\ell$ is increased. This implies that optimal convergence is observed under the substantially relaxed oversampling condition $\ell \gtrsim (\log \tfrac{\kappa}{H})^{(d-1)/d}$ with $d$ denoting the spatial dimension. Numerical experiments demonstrate the significantly improved offline and online performance of the method also in the case of heterogeneous media and perfectly matched layers., Comment: 21 pages, 7 figures

Numerical homogenization aims to efficiently and accurately approximate the solution space of an elliptic partial differential operator with arbitrarily rough coefficients in a $d$-dimensional domain. The application of the inverse operator to some standard finite element space defines an approximation space with uniform algebraic approximation rates with respect to the mesh size parameter $H$. This holds even for under-resolved rough coefficients. However, the true challenge of numerical homogenization is the localized computation of a localized basis for such an operator-dependent approximate solution space. This paper presents a novel localization technique that enforces the super-exponential decay of the basis relative to $H$. This shows that basis functions with supports of width $\mathcal O(H|\log H|^{(d-1)/d})$ are sufficient to preserve the optimal algebraic rates of convergence in $H$ without pre-asymptotic effects. A sequence of numerical experiments illustrates the significance of the new localization technique when compared to the so far best localization to supports of width $\mathcal O(H|\log H|)$., 22 pages, 7 figures

This paper studies the localization behaviour of Bose-Einstein condensates in disorder potentials, modeled by a Gross-Pitaevskii eigenvalue problem on a bounded interval. In the regime of weak particle interaction, we are able to quantify exponential localization of the ground state, depending on statistical parameters and the strength of the potential. Numerical studies further show delocalization if we leave the identified parameter range, which is in agreement with experimental data. These mathematical and numerical findings allow the prediction of physically relevant regimes where localization of ground states may be observed experimentally., Comment: accepted for publication in SIAM J. Appl. Math

This paper rediscovers a classical homogenization result for a prototypical linear elliptic boundary value problem with periodically oscillating diffusion coefficient. Unlike classical analytical approaches such as asymptotic analysis, oscillating test functions, or two-scale convergence, the result is purely based on the theory of domain decomposition methods and standard finite elements techniques. The arguments naturally generalize to problems far beyond periodicity and scale separation and we provide a brief overview on such applications., Comment: Submitted for publication in the proceedings of the 25th International Conference on Domain Decomposition Methods

This article considers the computational (acoustic) wave propagation in strongly heterogeneous structures beyond the assumption of periodicity. A high contrast between the constituents of microstructured multiphase materials can lead to unusual wave scattering and absorption, which are interesting and relevant from a physical viewpoint, for instance, in the case of crystals with defects. We present a computational multiscale method in the spirit of the Localized Orthogonal Decomposition and provide its rigorous a priori error analysis for two-phase diffusion coefficients that vary between $1$ and very small values. Special attention is paid to the extreme regimes of high frequency, high contrast, and their previously unexplored coexistence. A series of numerical experiments confirms the theoretical results and demonstrates the ability of the multiscale approach to efficiently capture relevant physical phenomena., accepted for publication in Math. Comp

This paper concerns the numerical approximation of low-energy eigenstates of the linear random Schr��dinger operator. Under oscillatory high-amplitude potentials with a sufficient degree of disorder it is known that these eigenstates localize in the sense of an exponential decay of their moduli. We propose a reliable numerical scheme which provides localized approximations of such localized states. The method is based on a preconditioned inverse iteration including an optimal multigrid solver which spreads information only locally. The practical performance of the approach is illustrated in various numerical experiments in two and three space dimensions and also for a non-linear random Schr��dinger operator., Accepted for publication in SIAM J. Sci. Comput

This paper addresses the variational multiscale stabilization of standard finite element methods for linear partial differential equations that exhibit multiscale features. The stabilization is of Petrov-Galerkin type with a standard finite element trial space and a problem-dependent test space based on pre-computed fine-scale correctors. The exponential decay of these correctors and their localisation to local cell problems is rigorously justified. The stabilization eliminates scale-dependent pre-asymptotic effects as they appear for standard finite element discretizations of highly oscillatory problems, e.g., the poor $L^2$ approximation in homogenization problems or the pollution effect in high-frequency acoustic scattering.

This paper concerns spectral properties of linear Schr��dinger operators under oscillatory high-amplitude potentials on bounded domains. Depending on the degree of disorder, we prove the existence of spectral gaps amongst the lowermost eigenvalues and the emergence of exponentially localized states. We quantify the rate of decay in terms of geometric parameters that characterize the potential. The proofs are based on the convergence theory of iterative solvers for eigenvalue problems and their optimal local preconditioning by domain decomposition., accepted for publication in M3AS

This paper presents a multiscale Petrov-Galerkin finite element method for time-harmonic acoustic scattering problems with heterogeneous coefficients in the high-frequency regime. We show that the method is pollution- free also in the case of heterogeneous media provided that the stability bound of the continuous problem grows at most polynomially with the wave number k. By generalizing classical estimates of [Melenk, Ph.D. Thesis 1995] and [Hetmaniuk, Commun. Math. Sci. 5 (2007)] for homogeneous medium, we show that this assumption of polynomially wave number growth holds true for a particular class of smooth heterogeneous material coefficients. Further, we present numerical examples to verify our stability estimates and implement an example in the wider class of discontinuous coefficients to show computational applicability beyond our limited class of coefficients.

We formulate a stabilized quasi-optimal Petrov-Galerkin method for singularly perturbed convection-diffusion problems based on the variational multiscale method. The stabilization is of Petrov-Galerkin type with a standard finite element trial space and a problem-dependent test space based on pre-computed fine-scale correctors. The exponential decay of these correctors and their localisation to local patch problems, which depend on the direction of the velocity field and the singular perturbation parameter, is rigorously justified. Under moderate assumptions, this stabilization guarantees stability and quasi-optimal rate of convergence for arbitrary mesh P\'eclet numbers on fairly coarse meshes at the cost of additional inter-element communication.

This paper analyses the numerical solution of a class of non-linear Schr��dinger equations by Galerkin finite elements in space and a mass- and energy conserving variant of the Crank-Nicolson method due to Sanz-Serna in time. The novel aspects of the analysis are the incorporation of rough, discontinuous potentials in the context of weak and strong disorder, the consideration of some general class of non-linearities, and the proof of convergence with rates in $L^{\infty}(L^2)$ under moderate regularity assumptions that are compatible with discontinuous potentials. For sufficiently smooth potentials, the rates are optimal without any coupling condition between the time step size and the spatial mesh width.

We introduce a new Partition of Unity Method for the numerical homogenization of elliptic partial differential equations with arbitrarily rough coefficients. We do not restrict to a particular ansatz space or the existence of a finite element mesh. The method modifies a given partition of unity such that optimal convergence is achieved independent of oscillation or discontinuities of the diffusion coefficient. The modification is based on an orthogonal decomposition of the solution space while preserving the partition of unity property. This precomputation involves the solution of independent problems on local subdomains of selectable size. We deduce quantitative error estimates for the method that account for the chosen amount of localization. Numerical experiments illustrate the high approximation properties even for 'cheap' parameter choices., Proceedings for Seventh International Workshop on Meshfree Methods for Partial Differential Equations, 18 pages, 3 figures