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Sensitivity analysis (with respect to the regularization parameter)
of the solution of a class of regularized state constrained
optimal control problems is performed. The theoretical results are
then used to establish an extrapolation-based numerical scheme for
solving the regularized problem for vanishing regularization
parameter. In this context, the extrapolation technique provides
excellent initialization along the sequence of reducing
regularization parameters. Finally, the favorable numerical
behavior of the new method is demonstrated in a nested iteration
environment.
While seemingly straightforward in principle, the reliable estimation of rate constants is seldom easy in practice. Numerous issues, such as the complication of poor reaction coordinates, cause obvious approaches to yield unreliable estimates. When a reliable order parameter is available, the reactive flux theory of Chandler allows the rate constant to be extracted from the plateau region of an appropriate reactive flux correlation function. However, when applied to real data from single- molecule experiments or molecular dynamics simulations, the reactive flux correlation function requires the numerical differentiation of a noisy empirical correlation function, which can result in an unacceptably poor estimate of the rate and pathological dependence on the sampling interval. We present a modified version of this theory which does not require numerical derivatives, allowing rate constants to be robustly estimated from the time-correlation function directly. We illustrate the approach using single-molecule passive force spectroscopy measurements of an RNA hairpin.
In this paper we propose and analyze a new Multiscale Method for solving semi-linear elliptic problems with heterogeneous and highly variable coeffcient functions. For this purpose we construct a generalized finite element basis that spans a low dimensional multiscale space. The basis is assembled by performing localized linear finescale computations in small patches that have a diameter of order H |log(H)| where H is the coarse mesh size. Without any assumptions on the type of the oscillations in the coeffcients, we give a rigorous proof for a linear convergence of the H1-error with respect to the coarse mesh
size. To solve the arising equations, we propose an algorithm that is based on a damped Newton scheme in the multiscale space.
In this review article we discuss different techniques to solve numerically the
time-dependent Schrödinger equation on unbounded domains.
We present in detail the most recent approaches and describe briefly alternative ideas pointing out the relations between these works.
We conclude with several numerical examples from
different application areas to compare the presented techniques. We mainly focus on the one-dimensional problem but also touch upon the situation in two space dimensions and the cubic nonlinear case.
A Lavrentiev type regularization technique for
solving elliptic boundary control problems with pointwise state
constraints is considered. The main concept behind this
regularization is to look for controls in the range of the adjoint
control-to-state mapping. After investigating the analysis of the
method, a semismooth Newton method based on the optimality
conditions is presented. The theoretical results are confirmed by
numerical tests. Moreover, they are validated by comparing the
regularization technique with standard numerical codes based on the
discretize-then-optimize concept.
This note addresses a three-dimensional model for isothermal stress-induced transformation in shape-memory polycrystalline materials. We treat the problem within the framework of the energetic formulation of rate-independent processes and investigate existence and continuous dependence issues at both the constitutive relation and quasi-static evolution level. Moreover, we focus on time and space approximation as well as on regularization and parameter asymptotics.
This paper focuses on
rate-independent damage in elastic bodies. Since the driving energy is nonconvex,
solutions may have jumps as a function of time, and in this situation it is known that the classical concept
of energetic solutions for rate-independent systems
may fail to accurately describe the
behavior of the system at jumps.
Therefore, we resort to the (by now well-established) vanishing viscosity approach to rate-independent modeling
and approximate the model by its viscous regularization.
In fact, the analysis of the latter PDE system presents
remarkable difficulties, due to its highly nonlinear character.
We tackle it by combining a variational approach to a class of abstract doubly nonlinear evolution equations, with
careful regularity estimates tailored to this specific system relying on a q-Laplacian type gradient regularization of the damage variable.
Hence, for the viscous problem we conclude the existence of weak solutions satisfying a
suitable energy-dissipation inequality that is the starting point for the vanishing viscosity analysis.
The latter leads to the notion of (weak) parameterized
solution to our rate-independent system,
which encompasses the influence of viscosity in the description of the jump regime.
Quasi-Newton methods based on least change secant updating
formulas that solve linear equations $Ax=b$ in $n=\dim(x)=\dim(b)$ steps
can be expected to solve corresponding smooth nonlinear
systems $n$-step quadratically, i.e. with an $r$-order
of $\rho = 2^{1/n} = 1 + 1/n +O(1/n^2)$. The best rate one can
possibly expect on general problems is given by the positive root
$\rho_n$ of $\rho^n(\rho -1)=1$, for which
$\rho_n-1 = \ln(n)/n + O(1/n^2)$. To show that this upper bound is
actually achieved one usually has to impose a priori some kind of
linear independence condition on the sequence of steps taken by the
quasi-Newton iteration in question. Without any such assumptions we
establish in this paper the convergence order $\rho_n$ for the
two-sided rank one formula proposed by Schlenkrich et al in \cite{SGW06}.
It requires the evaluation of adjoint vectors, is invariant with respect
to linear transformations on the variable domain and combines the
properties of bounded deterioration and heredity.
We study a stationary Schrödinger-Poisson system on a bounded interval of the real axis. The Schrödinger operator is defined on the bounded domain with transparent boundary conditions. This allows us to model a non-zero current through the boundary of the interval. We prove that the system always admits a solution and give explicit a priori estimates for the solutions.
In this paper we develop a QR-like algorithm for the palindromic eigenvalue problem $Ax=\lambda A^\adj x$.
We will discuss the two cases that $A^\adj$ denotes the transpose or the conjugate transpose of $A\in\C^{n,n}$.
It is shown that this so-called palindromic QR iteration is equivalent to applying the standard QR algorithm to $A^{-\adj}A$.
Also the concepts of deflation, shifting, and exploiting the invariance of a Hessenberg-type form are adapted.
Moreover, we analyze the problem of reducing a general square matrix to the mentioned Hessenberg-type form
and establish analogies to the Hamiltonian eigenvalue problem.
Finally, we present concrete Hessenberg-type reduction algorithms for special cases.
A posteriori error estimators for non-symmetric eigenvalue model problems are discussed in [Heuveline and Rannacher, A posteriori error control for finite element approximations of elliptic eigenvalue problems, 2001] in the context of the dual-weighted residual method (DWR). This paper directly analyses the variational formulation rather than the non-linear ansatz of Becker and Rannacher for some convection-diffusion model problem and presents error estimators for the eigenvalue error based on averaging techniques. In the case of linear P1 finite elements and globally constant coefficients, the error estimates of the residual and averaging error estimators are refined. Moreover, several postprocessing techniques attached to the DWR paradigm plus two new dual-weighted error estimators are compared in numerical experiments. The first new estimator utilises an auxiliary Raviart-Thomas mixed finite element method and the second exploits an averaging technique in combination with ideas of DWR.
This paper is intended to be a first step towards the continuous dependence of dynamical contact problems on the initial data as well as the uniqueness of a solution. Moreover, it provides the basis for a proof of the convergence of popular time integration schemes as the Newmark method.
We study a frictionless dynamical contact problem between both linearly elastic and viscoelastic bodies which is formulated via the Signorini contact conditions. For viscoelastic materials fulfilling the Kelvin-Voigt constitutive law, we find a characterization of the class of problems which satisfy a perturbation result in a non-trivial mix of norms in function space. This characterization is given in the form of a stability condition on the contact stresses at the contact boundaries.
Furthermore, we present perturbation results for two well-established approximations of the classical Signorini condition: The Signorini condition formulated in velocities and the model of normal compliance, both satisfying even a sharper version of our stability condition.
Large-area organic light-emitting diodes are thin-film multilayer devices that show pronounced self-heating and brightness inhomogeneities at high currents. As these high currents are typical for lighting applications, a deeper understanding of the mechanisms causing these inhomogeneities is necessary. We discuss the modeling of the interplay between current flow, self-heating, and heat transfer in such devices using a system of partial differential equations of thermistor type, that is capable of explaining the development of luminance inhomogeneities. The system is based on the heat equation for the temperature coupled to a p(x)-Laplace-type equation for the electrostatic potential with mixed boundary conditions. The p(x)-Laplacian allows to take into account non-Ohmic electrical behavior of the different organic layers. Moreover, we present analytical results on the existence, boundedness, and regularity of solutions to the system. A numerical scheme based on the finite-volume method allows for efficient simulations of device structures.
The line planning problem is one of the fundamental problems in strategic
planning of public and rail transport. It consists in finding lines
and corresponding frequencies in a transport network such that a given
travel demand can be satisfied. There are (at least) two objectives. The
transport company wishes to minimize operating costs, the passengers
want to minimize travel times. We propose a new multi-commodity
ow model for line planning. Its main features, in comparison to existing
models, are that the passenger paths can be freely routed and
that the lines are generated dynamically. We discuss properties of this
model and investigate its complexity. Results with data for the city of
Potsdam, Germany, are reported.
In this paper we study a certain cardinality constrained packing integer program which is motivated by the problem of dimensioning a cut in a two-layer network. We prove NP-hardness and consider the facial structure of the corresponding polytope. We provide a complete description for the smallest nontrivial case and develop two general classes of facet-defining inequalities. This approach extends the
notion of the well known cutset inequalities to two network layers.
UMTS radio network evaluation and design are currently important issues for telecommunication operators.
We present a novel view on network evaluation. The recent dimension reduction approach is
generalized to an analytical approximation of the network's general performance based on average traffic.
The pivot is an average coupling matrix that captures the essential coverage and cell coupling properties of
the radio network. Based on this new evaluation method, we present new optimization methods, namely
a new optimization model based on designing the generalized average coupling matrix and an efficient
1-opt local search. We give preliminary computational results that show the potential of our methods on
realistic data.
This note studies an issue relating to essential smoothness that can arise when the theory of large deviations is applied to a certain option pricing formula in the Heston model. The note identifies a gap, based on this issue, in the proof of Corollary 2.4 in [2] and describes how to circumvent it. This completes the proof of Corollary 2.4 in [2] and hence of the main result in [2], which describes the limiting behaviour of the implied volatility smile in the Heston model far from maturity.
Recently, Khuller, Moss and Naor presented a greedy algorithm for the budgeted maximum coverage problem. In this note, we observe that this algorithm also approximates a special case of set-union knapsack problem within a constant factor. In the special case, an element is a member of less than a constant number of subsets. This guarantee naturally extends to densest k-subgraph problem on graphs of bounded degree.
We extend earlier work on scenario reduction by relying directly on Fortet-Mourier metrics instead of using upper bounds given in terms of mass transportation problems. The importance of Fortet-Mourier metrics for quantitative stability of two-stage models is reviewed and some numerical results are also provided.