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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.
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.
We review some known results for POD model reduction applied to ODEs. Then, these
results are generalized to several types of DAEs. We provide algorithms for the
model reduction and error bounds for the reduced order models. Some limits of
the approach are pointed out and alternative methods for reduced order subspace approximation
are presented. The POD approach is tested and evaluated for a medium sized DAE example
from multibody dynamics.
We consider a semilinear parabolic equation subject to a nonlinear dynamical boundary condition that is related to the so-calles Wentzell boundary condition. First, we prove the existence and uniqueness of global solutions as well as the existence of a global attractor. Then we derive a suitable Lojasiewicz-Simon-type inequality to show the convergence of global solutions to single steady states as time tends to infinity under the assumption that the nonlinear terms $f$, $g$ are real analytic. Moreover, we provide an estimate for the convergence rate.
A nonlocal quasilinear multi-phase system with nonconstant specific heat and heat conductivity
(2012)
In this paper, we prove the existence
and global boundedness from above for a solution to an
integrodifferential model for nonisothermal multi-phase
transitions under nonhomogeneous third type boundary conditions.
The system couples a quasilinear internal energy balance
ruling the evolution of the absolute temperature with a vectorial
integro-differential inclusion governing the vectorial
phase-parameter dynamics. The specific heat and the heat
conductivity k are allowed to depend both on the order parameter
$\chi$ and on the absolute temperature $\teta$ of the system, and
the convex component of the free energy may or may not be
singular. Uniqueness and continuous data dependence are
also proved under additional assumptions.
We prove the existence, uniqueness, thermodynamic consistency,
global boundedness from both above and below, and continuous data
dependence for a strong solution to an
integrodifferential model for nonisothermal phase transitions
under nonhomogeneous mixed boundary conditions.
The specific heat is allowed to depend on the order parameter,
and the convex component of the free energy may or may not
be singular.
For a nice Markov process such as Brownian motion on a bounded domain, we introduce a non-linear potential operator defined in terms of running
suprema, and we prove a non-linear Riesz representation of a given function as
the sum of a harmonic function and a non-linear potential. The proof involves
a family of optimal stopping problems in analogy to the general construction
of Bank and El Karoui [3], but here the analysis is carried out in terms of
probabilistic potential theory.
The numerical simulation of the band structure of three-dimensional dispersive metallic photonic crystals with face-centered cubic lattices leads to large-scale nonlinear eigenvalue problems, which are very challenging due to a high dimensional subspace associated with the eigenvalue zero and the fact that the desired eigenvalues (with smallest real part) cluster near the zero eigenvalues. For
the solution of the eigenvalue problem, a Newton-type iterative method is proposed and the nullspace-free method is applied to exclude the zero eigenvalues from the associated generalized eigenvalue problem. To find the successive eigenvalue/eigenvector pairs, we propose a new non-equivalence deflation method to transform converged eigenvalues to infinity, while all other eigenvalues remain unchanged. The deflated problem is then solved by the same Newton-type method, which uses a hybrid method that combines the Jacobi-Davidson, the shift-invert residual Arnoldi and nonlinear Arnoldi methods to compute the clustered eigenvalues. Numerical results illustrate that the method is robust even for the case of computing many eigenvalues in very large problems.
In this paper we propose a new finite element realization of the Perfectly Matched
Layer method (PML-method). Our approach allows to deal with a wide class of
polygonal domains and with certain types of inhomogeneous exterior domains.
Among the covered inhomogeneities are open waveguide structures playing an essential
role in integrated optics. We give a detailed insight into implementation
aspects. Numerical examples show exponential convergence behavior to the exact
solution with the thickness of the PML sponge layer.
Modelling incompressible ideal fluids as a finite collection of
vortex filaments is important in physics (super-fluidity, models for the
onset of turbulence) as well as for numerical algorithms used in computer
graphics for the real time simulation of smoke. Here we introduce
a time-discrete evolution equation for arbitrary closed polygons in 3-
space that is a discretisation of the localised induction approximation of
filament motion. This discretisation shares with its continuum limit the
property that it is a completely integrable system. We apply this polygon
evolution to a significant improvement of the numerical algorithms
used in Computer Graphics.
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.
O&D revenue management (RM)
– either leg-based or PNR-based – has become
a standard in the airline industry. In this paper,
we present a new approach to O&D RM which
does not make any assumptions on demand distributions
or on the correlations of the booking
process. Protection levels are determined for all
origin destination itineraries, fare classes, points
of sale and data collection points (DCPs). This
approach to the seat inventory problem is modelled
as a multistage stochastic program, where
its stages correspond to the DCPs of the booking
horizon. The stochastic passenger demand
process is approximated by a scenario tree generated
from historical data by a recursive scenario
reduction procedure. The stochastic program
represents a specially structured large scale
LP that may be solved by standard LP software
(e.g. CPLEX). Preliminary numerical experience
is reported.
Flux coupling analysis is a method to identify blocked and coupled reactions
in a metabolic network at steady state. We present a new approach to
flux coupling analysis, which uses a minimum set of generators of the steady state
flux cone. Our method does not require to reconfigure the network by splitting
reversible reactions into forward and backward reactions.
By distinguishing different types of reactions (irreversible, pseudo-irreversible,
fully reversible), we show that reaction coupling relationships can only hold
between certain reaction types. Based on this mathematical analysis, we propose
a new algorithm for flux coupling analysis.
We propose a new approach to competitive analysis by introducing the novel concept of online approximation schemes. Such scheme algorithmically constructs an online algorithm with a competitive ratio arbitrarily close to the best possible competitive ratio for any online algorithm. We study the problem of scheduling jobs online to minimize the weighted sum of completion times on parallel, related, and unrelated machines, and we derive both deterministic and randomized algorithms which are almost best possible among all online algorithms of the respective settings. Our method relies on an abstract characterization of online algorithms combined with various simplifications and transformations. We also contribute algorithmic means to compute the actual value of the best possible competitive ratio up to an arbitrary accuracy. This strongly contrasts all previous manually obtained competitiveness results for algorithms and, most importantly, it reduces the search for the optimal competitive ratio to a question that a computer can answer. We believe that our method can also be applied to many other problems and yields a completely new and interesting view on online algorithms.
Dominance constraints are logical descriptions of trees. Efficient algorithms for the subclass of normal dominance constraints were recently proposed. We present a new and simpler graph algorithm solving these constraints more efficiently, in quadratic time per solved form. It also applies to weakly normal dominance constraints as needed for an application to computational linguistics. Subquadratic running time can be achieved employing decremental graph biconnectivity algorithms.
A novel Finite Element Method (FEM) for the computational simulation in particle reinforced composite materials with many inclusions is presented. It is based on an adapted mesh which consists of triangles and parametric quadrilaterals in 2D. The number of elements and, hence, the number of degrees of freedom are proportional to the number of inclusions. The error of the method is independent of the distance of the neighboring inclusions. While being related to network methods, the approach can tackle more general settings. We present an efficient residual a posteriori error estimator which enables to compute reliable upper and lower error bounds. Several numerical examples illustrate the performance of the method and the error estimator. Moreover, it is demonstrated that the assumption of a lattice structure of inclusions can easily lead to incorrect predictions about material properties.
We consider the linear-quadratic optimal control problem for a controlled differential
algebraic equation (DAE). Under minimal assumptions on the DAE concerning index and regularity
it will be possible to prove that the sufficient optimality condition given in papers of G. Kurina
and R. März is also a necessary condition. This condition includes the solution of an appropriate
boundary value problem and, in the special case of an explicit ordinary differential equation, the
condition is equal to the well known necessary and sufficient condition of the classical linear-quadratic
optimal control problem.
The purpose of the paper is to apply monotone multigrid methods
to static and dynamic biomechanical contact problems.
In space, a finite element method involving a mortar
discretization of the contact conditions is used.
In time, a new contact--stabilized Newmark scheme is presented.
Numerical experiments for a two body Hertzian contact problem
and a biomechanical knee problem are reported.
In this paper we discuss the numerical
solution of projected generalized Lyapunov
equations using the matrix sign function
method. Such equations arise in stability
analysis and control problems for
descriptor systems including model reduction
based on balanced truncation. It is known
that the matrix sign function method applied
to a matrix pencil $\lambda E-A$ converges
if and only if $\lambda E-A$ is of index at
most two. The convergence is quadratic if
$E$ is nonsingular, and it is linear,
otherwise. We will propose a modification
of the matrix sign function method that
converges quadratically for pencils of
arbitrary index. Numerical examples will be
presented to demonstrate the properties of
the modified method.