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We introduce a~numerical method for the numerical solution of the Lur'e matrix equations that arise, for instance, in linear-quadratic infinite time horizon optimal control. The method is based on the characterization of the solutions in terms of deflating subspaces of a suitable even matrix pencil. Via a Cayley transformation, the problem is transformed to the discrete-time case. This leaves us with a symplectic problem with several Jordan blocks of eigenvalue 1 and even size, which arise from the remaining eigenvalues at infinity of the original problem. For the solution of this modified problem, we use the {\em structure-preserving doubling algorithm} (SDA), an iterative scheme for the solution of dense continuous- and discrete-time algebraic Riccati equations. Unlike other iterative schemes, this algorithm converges also when the pencil has eigenvalues on the unit circle, as is the case in our problem. Implementation issues such as the choice of the parameter $\gamma$ in the Cayley transform are discussed. The numerical examples presented confirm the effectiveness of this method.
We propose a robust and efficient numerical discretization scheme for the infinitesimal generator of a diffusion process based on a finite volume approximation. The resulting discrete-space operator can be interpreted as a jump process on the mesh whose invariant measure is precisely the cell approximation of the Boltzmann distribution of the original process. Moreover the resulting jump process preserves the detailed balance property of the original stochastic process.
A Structure-Preserving Method for Generalized Algebraic RiccatiEquations Based on Pencil Arithmetic
(2004)
This paper describes a numerical method for extracting the stable
right deflating subspace of a matrix pencil Z Y using
a spectral projection method. It has several advantages compared
to other spectral projection methods like the sign function
method. In particular it avoids the rounding error induced
loss of accuracy associated with matrix inversions. The new algorithm
is particularly well adapted to solving continuous-time
algebraic Riccati equations. In numerical examples, it solves
Riccati equations to high accuracy.
In this paper we propose a Libor model with a high-dimensional specially structured system of
driving CIR volatility processes. A stable calibration procedure which takes into account
a given local correlation structure is presented. The calibration algorithm is FFT based, so fast and easy
to implement.
Trajectory- or mesh-based methods for analyzing the dynamical behavior of large
molecules tend to be impractical due to the curse of dimensionality - their computational cost increases
exponentially with the size of the molecule. We propose a method to break the curse by a
novel square root approximation of transition rates, Monte Carlo quadrature and a discretization
approach based on solving linear programs. With randomly sampled points on the molecular energy
landscape and randomly generated discretizations of the molecular conguration space as our initial
data, we construct a matrix describing the transition rates between adjacent discretization regions.
This transition rate matrix yields a Markov State Model of the molecular dynamics. We use Perron
cluster analysis and coarse-graining techniques in order to identify metastable sets in conguration
space and approximate the transition rates between the metastable sets. Application of our method
to a simple energy landscape on a two-dimensional conguration space provides proof of concept and
an example for which we compare the performance of dierent discretizations. We show that the
computational cost of our method grows only polynomially with the size of the molecule. However,
nding discretizations of higher-dimensional conguration spaces in which metastable sets can be
identied remains a challenge.
Laplace transforms which admit a holomorphic extension to some sector strictly
containing the right half plane and exhibiting a potential behavior are considered. A spectral order,
parallelizable method for their numerical inversion is proposed. The method takes into account the
available information about the errors arising in the evaluations. Several numerical illustrations are
provided.
We study the expansion of the eigenfunctions of Schrödinger operators with smooth confinement potentials in Hermite functions; confinement potentials are potentials that become unbounded at infinity. The key result is that such eigenfunctions and all their derivatives decay more rapidly than any exponential function under some mild growth
conditions to the potential and its derivatives. Their expansion in Hermite functions converges therefore very fast, super-algebraically.
Short term climate events such as the sea surface temperature anomaly known as El Nino are financial risk sources leading to incomplete markets. To make such risk tradable, we use a market model in which a climate index provides an extra investment opinion. Given one possible market price of risk each agent can maximize the exponential utility from three sources of income: capital market, additional security, and individual risk exposure. Under an equilibrium condition the market price of risk is uniquely determined by a backward stochastic differential equation. We translate these stochastic equations into semi-linear partial differential equations for the simulation of which numerical schemes are available. We choose two simple models for sea surface temperature, and with ENSO risk exposed fisher and farmer and a nonh-exposed bank three toy agents. By simulating their optimal investment into the climat index we obtain first insight into the dynamics of the market.
Bovine fertility is the subject of extensive research in animal sciences,
especially because fertility of dairy cows has declined during the last
decades. The regulation of estrus is controlled by the complex interplay
of various organs and hormones. Mathematical modeling of the bovine
estrous cycle could help in understanding the dynamics of this complex
biological system. In this paper we present a mechanistic mathematical
model of the bovine estrous cycle that includes the processes of follicle
and corpus luteum development and the key hormones that interact to
control these processes. The model generates successive estrous cycles of
21 days, with three waves of follicle growth per cycle. The model contains
12 differential equations and 54 parameters. Focus in this paper is on
development of the model, but also some simulation results are presented,
showing that a set of equations and parameters is obtained that describes
the system consistent with empirical knowledge. Even though the majority
of the mechanisms that are included in the model are based on relations
that in literature have only been described qualitatively (i.e. stimulation
and inhibition), the output of the model is surprisingly well in line with
empirical data. This model of the bovine estrous cycle could be used
as a basis for more elaborate models with the ability to study effects of
external manipulations and genetic differences.
We present a linear time approximation algorithm with a performance ratio of 1/2 for finding a maximum weight matching in an arbitrary graph. Such a result is already known and is due to Preis [STACS'99, Lecture Notes in Comput. Sci., Vol. 1563, 1999, pp. 259–269]. Our algorithm uses a new approach which is much simpler than the one given by Preis and needs no amortized analysis for its running time.
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.