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A new concept is introduced for the adaptive finite element discretization of partial differential equations that have a sparsely
representable solution. Motivated by recent work on compressed sensing, a recursive mesh refinement procedure is presented that uses linear programming to find a good approximation to the sparse solution on a given refinement level. Then only those parts of the mesh are refined that belong to nonzero expansion coefficients. Error estimates for this procedure are refined and the behavior of the procedure is demonstrated via some simple elliptic model problems.
Interior Point Methods in Function Space for State Constraints - Inexact Newton and Adaptivity
(2009)
We consider an interior point method in function space for PDE constrained optimal control problems with state constraints. Our emphasis is on the construction and analysis of an algorithm that integrates a Newton path-following method with adaptive grid refinement. This is done in the framework of inexact Newton methods in function space, where the discretization error of each Newton step is controlled by adaptive grid refinement in the innermost loop. This allows to perform most of the required Newton steps on coarse grids, such that the overall computational time is dominated by the last few steps. For this purpose we propose an a-posteriori error estimator for a problem suited norm.
A continuity result for Nemyckii Operators and some applications in PDE constrained optimal control
(2008)
This work explores two applications of a classical result on the continuity of Nemyckii operators to optimal control with PDEs. First, we present an alternative approach to the analysis of Newton's method for function space problems involving semi-smooth Nemyckii operators. A concise proof for superlinear convergence is presented, and sharpened bounds on the rate of convergence are derived. Second, we derive second order sufficient conditions for problems, where the underlying PDE has poor regularity properties. We point out that the analytical structure in both topics is essentially the same.
We propose and analyse an interior point path-following method in function space
for state constrained optimal control. Our emphasis is on proving convergence in
function space and on constructing a practical path-following algorithm. In particular, the introduction of a pointwise damping step leads to a very efficient method, as verified by numerical experiments.
We consider hybrid systems of differential-algebraic equations and present
a general framework for general nonlinear over- and underdetermined hybrid
systems that allows the
analysis of existence and uniqueness and the application of index reduction
methods for hybrid differential-algebraic systems.
A particular difficulty in the numerical simulation of hybrid systems is
(numerical) chattering, i.e., fast oscillations between modes of operations.
A regularization technique using sliding modes allows to regularize the
system behavior in the case of chattering.
Further, we show how chattering behavior during the numerical solution can
be prevented using sliding mode simulation. The advantage of the sliding mode
simulation is illustrated by numerical examples.
A generalization of the method of Chu, Liu and Mehrmann
for the computation of the Hamiltonian real Schur form is presented.
The new method avoids some of the difficulties that may arise when
a Hamiltonian matrix has tightly clustered groups of eigenvalues.
A detailed analysis of the method is presented and several numerical examples demonstrate the superior behavior of the method.
We present and analyze novel hierarchical a posteriori error estimates
for self-adjoint elliptic obstacle problems.
Our approach differs from straightforward, but non-reliable estimators~\cite{RHWHoppe_RKornhuber_1994a}
by an additional extra term accounting for the deviation
of the discrete free boundary in the localization step.
We prove efficiency and reliability
on a saturation assumption and a regularity condition on the underlying grid.
Heuristic arguments suggest
that the extra term is of higher order and preserves full locality.
Numerical computations confirm our theoretical findings.
The main focus of this paper is on an a-posteriori analysis for the method of proper orthogonal decomposition (POD) applied to optimal control problems governed by
parabolic and elliptic PDEs. Based on a perturbation method it is deduced how far the suboptimal
control, computed on the basis of the POD model, is from the (unknown)
exact one. Numerical examples illustrate the realization of the proposed approach for linear-quadratic problems governed by parabolic and elliptic partial differential equations.
The complexity of molecular kinetics can be reduced significantly by a restriction to metastable conformations which are almost invariant sets of molecular dynamical systems. With the Robust Perron Cl uster Analysis PCCA+, developed by Weber and Deuflhard, we have a tool available which can be used to identify these conformations from a transition probability matrix. This method can also be applied to the corresponding transition rate matrix which provides important information concerning transition pathways of single molecules. In the present paper, we explain the relationship between these tw o concepts and the extraction of conformation kinetics from transition rates. Moreover, we show how transition rates can be approximated and conclude with numerical examples.
Wigner functions are functions on classical phase space, which are in one-to-one correspondence to square integrable functions on configuration space. For molecular quantum systems, classical transport of Wigner functions provides the basis of asymptotic approximation methods in the high energy regime. The article addresses the sampling of Wigner functions by Monte Carlo techniques. The approximation step is realized by an adaption of the Metropolis algorithm for real-valued functions with disconnected support. The quadrature, which computes values of the Wigner function, uses importance sampling with a Gaussian weight function. The numerical experiments combine the sampling with a surface hopping algorithm for non-adiabatic quantum dynamics. In agreement with theoretical considerations, the obtained results show an accuracy of two to four percent.
In this review, we intend to clarify the underlying ideas and the relations
between various multigrid methods ranging from subset decomposition,
to projected subspace decomposition and truncated multigrid.
In addition, we present a novel globally convergent inexact active set method
which is closely related to truncated multigrid. The numerical properties
of algorithms are carefully assessed by means of a degenerate problem and
a problem with a complicated coincidence set.
We present a new inexact nonsmooth Newton method for the solution
of convex minimization problems with piecewise smooth, pointwise
nonlinearities. The algorithm consists of a nonlinear smoothing
step on the fine level and a linear coarse correction.
Suitable postprocessing guarantees global convergence
even in the case of a single multigrid step for each linear subproblem.
Numerical examples show that the overall efficiency
is comparable to multigrid for similar linear problems.
In this paper, we propose and investigate numerical methods based on QR factorization for computing all or some Lyapunov or Sacker-Sell spectral intervals for
linear differential-algebraic equations.
Furthermore, a perturbation and error analysis for these methods is presented. We
investigate how errors in the data and in the numerical integration affect the
accuracy of the approximate spectral intervals. Although we need to integrate
numerically some differential-algebraic systems on usually very long
time-intervals, under certain assumptions, it is shown that the error of the
computed spectral intervals can be controlled by the local error of numerical
integration and the error in solving the algebraic constraint.
Some numerical examples are presented to illustrate the theoretical results.
Motivated by the analysis of passive control systems, we undertake a detailed perturbation analysis of Hamiltonian matrices that have eigenvalues on the imaginary axis. We construct minimal Hamiltonian perturbations that move and coalesce eigenvalues of opposite sign characteristic to form multiple eigenvalues with mixed sign characteristics, which are then moved from the imaginary axis to specific locations in the complex plane by small Hamiltonian perturbations. We also present a numerical method to compute upper bounds for the minimal perturbations that move all eigenvalues of a given Hamiltonian matrix outside a vertical strip along the imaginary axis.
The PSurface Library
(2010)
We describe psurface, a C++ library that allows to store and access piecewise linear mappings between simplicial surfaces in $\R^2$ and $\R^3$. These mappings are stored in a graph data structure and can be constructed explicitly, by projection, or by surface simplification. Piecewise linear maps can be used, e.g., to construct boundary
approximations for finite element grids, and grid intersections for domain decomposition methods. In computer graphics the mappings allow to build level-of-detail representations as well as texture- and bump maps. We document the data structures and algorithms used and show how \psurface is used in the numerical analysis framework Dune
and the visualization software Amira.
This paper is devoted to the numerical approximation of Lyapunov and Sacker-Sell spectral intervals for linear differential-algebraic equations (DAEs). The spectral analysis for DAEs is improved and the concepts of leading directions and solution subspaces associated with spectral intervals are extended to DAEs. Numerical methods
based on smooth singular value decompositions are introduced for computing all or only some spectral intervals and their associated leading directions. The numerical algorithms as well as implementation issues are discussed in detail and numerical examples are presented to illustrate the theoretical results.
This paper presents three different adaptive algorithms for eigenvalue problems
associated with non-selfadjoint partial differential
operators. The basis for the developed algorithms is a homotopy method.
The homotopy method starts from a well-understood selfadjoint problem,
for which well-established adaptive methods are available.
Apart from the adaptive grid refinement, the progress of the homotopy as
well as the solution of the iterative method are adapted to balance the contributions
of the different error sources.
The first algorithm balances the homotopy, discretization and approximation errors with respect
to a fixed step-size $\tau$ in the homotopy.
The second algorithm combines the adaptive step-size control for the homotopy
with an adaptation in space that ensures an error below a fixed tolerance $\varepsilon$.
The third algorithm allows the complete adaptivity in space,
homotopy step-size as well as the iterative algebraic eigenvalue solver.
All three algorithms are compared in numerical examples.
In this work we propose a general framework for the structured perturbation
analysis of several classes of structured matrix polynomials in homogeneous
form, including complex symmetric, skew-symmetric, even and odd matrix polynomials. We introduce structured backward errors for approximate eigenvalues and eigenvectors and we construct minimal structured perturbations such that an approximate eigenpair is an exact eigenpair of an appropriately perturbed matrix polynomial. This work extends previous work for the non-homogeneous case (we include infinite eigenvalues) and we show that the structured backward errors improve the known unstructured backward errors.
The paper proposes goal-oriented error estimation and mesh refinement
for optimal control problems with elliptic PDE constraints using the value
of the reduced cost functional as quantity of interest. Error representation,
hierarchical error estimators, and greedy-style error indicators are derived and
compared to their counterparts when using the all-at-once cost functional as
quantity of interest. Finally, the efficiency of the error estimator and generated
meshes are demonstrated on numerical examples.
We investigate geodesic finite elements for functions with values in a space of zero curvature, like a torus or the M\"obius strip. Unlike in the general case, a closed-form expression for geodesic finite element functions is then available. This simplifies computations, and allows us to prove optimal estimates for the interpolation error in 1d and 2d. We also show the somewhat surprising result that the discretization by Kirchhoff transformation of the Richards equation proposed by Berninger et al. is a discretization by geodesic finite elements in the manifold $\mathbb{R}$ with a special metric.