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  • 1990-1994  (254)
  • 1975-1979  (33)
  • 1890-1899
  • English  (287)
  • 101
    Publication Date: 2014-02-26
    Description: One key problem in modern chemistry is the simulation of the dynamical reaction of a molecule subjected to external radiation. This is described by the Schrödinger equation, which, after eigenfunction expansion, can be written in form of a system of ordinary differential equations, whose solutions show a highly oscillatory behaviour. The oscillations with high frequencies and small amplitudes confine the stepsizes of any numerical integrator -- an effect, which, in turn, blows up the simulation time. Larger stepsizes can be expected by averaging these fast oscillations, thus smoothing the trajectories. This idea leads to the construction of a quasiresonant smoothing algorithm (QRS). In QRS, a natural and computationally available splitting parameter $\delta$ controls the smoothing properties. The performance of QRS is demonstrated in two applications treating the selective excitation of vibrational states by picosecond laser pulses. In comparison with standard methods a speedup factor of 60--100 is observed. A closer look to purely physically motivated quasiresonant approximations such as WFQRA shows some additional advantages of the above smoothing idea. Among these the possibility of an adaptive formulation of QRS via the parameter $\delta$ is of particular importance.
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  • 102
    Publication Date: 2020-11-16
    Description: This paper will appear as Chapter 28 of the forthcoming "Handbook on Combinatorics" (editors: R. Graham, M. Grötschel, L. Lovasz) to be published in 1994, by North-Holland.
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  • 103
    Publication Date: 2014-02-26
    Description: An analysis of relaxation oscillations in local Er-doped optically pumped lasers is reported. It is based on a time dependent rate equation model for a quasi-two-level-system with wavelength dependent emission- and absorption cross-sections. For the first time a numerically reliable simulation of the characteristic laser behaviour was possible: the onset and decay of the oscillations, the time-dependent repetition period and the steady state signal output power. The characteristic waveguide parameters, as the erbium-concentration profile, the polarization dependent pump- and signal mode intensity profiles, the scattering losses, the cavity length and the front and rear reflectivities were all taken into account. The basic formulas are general and can also be used for Er-doped fiber lasers. Mathematically the problem can be characterized as a large boundary value problem, which can approximately be replaced by a stiff initial value problem of ordinary differential equations. The used algorithmic replacement procedure is motivated and discussed in detail. Here, pump- and signal evolution versus time are presented for an planar Er-diffused $\rm Ti$:$\rm LiNbO_{3}$ waveguide laser. The numerically obtained results show a nearly quantitative agreement with experimental investigations. Simultanously they supply knowledge about non-measureable (space-dependent population dynamic of the Er-atoms) and till today not measured data (dynamical response of the laser by a sharp peak in the external pump).
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  • 104
    Publication Date: 2014-02-26
    Description: We construct Markov chain algorithms for sampling from discrete exponential families conditional on a sufficient statistic. Examples include generating tables with fixed row and column sums and higher dimensional analogs. The algorithms involve finding bases for associated polynomial ideals and so an excursion into computational algebraic geometry.
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  • 105
    Publication Date: 2014-02-26
    Description: Extending well--known linear concepts of successive subspace correction, we arrive at extended relaxation methods for elliptic variational inequalities. Extended underrelaxations are called monotone multigrid methods, if they are quasioptimal in a certain sense. By construction, all monotone multigrid methods are globally convergent. We take a closer look at two natural variants, which are called symmetric and unsymmetric multigrid methods, respectively. While the asymptotic convergence rates of the symmetric method suffer from insufficient coarse--grid transport, it turns out in our numerical experiments that reasonable application of the unsymmetric multigrid method may lead to the same efficiency as in the linear, unconstrained case.
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  • 106
    Publication Date: 2014-02-26
    Description: Elliptic boundary value problems are frequently posed on complicated domains which cannot be covered by a simple coarse initial grid as it is needed for multigrid like iterative methods. In the present article, this problem is resolved for selfadjoint second order problems and Dirichlet boundary conditions. The idea is to construct appropriate subspace decompositions of the corresponding finite element spaces by way of an embedding of the domain under consideration into a simpler domain like a square or a cube. Then the general theory of subspace correction methods can be applied.
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  • 107
    Publication Date: 2014-02-26
    Description: We prove a natural bijection between the polytopal tilings of a zonotope $Z$ by zonotopes, and the one-element-liftings of the oriented matroid ${\cal M}(Z)$ associated with $Z$. This yields a simple proof and a strengthening of the Bohne-Dress Theorem on zonotopal tilings.
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  • 108
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    Publication Date: 2015-06-01
    Description: Formal Laurent-Puiseux series of the form \[ f(x)=\sum \limits_{k=k_0}^{\infty}a_{k}x^{k/n} \] are important in many branches of mathematics. Whereas {\sc Mathematica} supports the calculation of truncated series with its {\tt Series} command, and the {\sc Mathematica} package {\tt SymbolicSum} that is shipped with {\sc Mathematica} version 2 is able to convert formal series of the type mentioned above in some instances to their corresponding generating functions, in six publications of the author we developed an algorithmic procedure to do these conversions that is implemented by the author, A.\ Rennoch and G.\ Stölting in the {\sc Mathematica} package {\tt PowerSeries}. The implementation enables the user to reproduce most of the results of the extensive bibliography on series of Hansen, E.\ R.: A table of series and products. Prentice-Hall, 1975. Moreover a subalgorithm of its own significance generates differential equations satisfied by the input function.
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  • 109
    Publication Date: 2015-06-01
    Description: {\newcommand{\C}{{\rm {\mbox{C{\llap{{\vrule height1.52ex}\kern.4em}}}}}} \newcommand{\Z} {{\rm {\mbox{\protect\makebox[.2em][l]{\sf Z}\sf Z}}}} \newcommand{\Maple}{{\sc Maple}} Formal Laurent-Puiseux series of the form \[ f(x)=\sum\limits_{k=k_0}^{\infty}a_{k}x^{k/n} \label{eq:formalLPS} \] with coefficients $a_{k}\in\C\;(k\in\Z)$ are important in many branches of mathematics. \Maple\ supports the computation of {\em truncated\/} series with its {\tt series} command, and through the {\tt powerseries} package infinite series are available. In the latter case, the series is represented as a table of coefficients that have already been determined together with a function for computing additional coefficients. This is known as {\em lazy evaluation\/}. But these tools fail, if one is interested in an explicit formula for the coefficients $a_k$. In this article we will describe the \Maple\ implementation of an algorithm presented in several papers of the second author which computes an {\em exact\/} formal power series of a given function. This procedure will enable the user to reproduce most of the results of the extensive bibliography on series. We will give an overview of the algorithm and then present some parts of it in more detail. This package is available through the \Maple-share library with the name {\tt FPS}. We flavor this procedure with the following example. %\begin{maple} \begin{verbatim}〉 FormalPowerSeries(sin(x), x=0);\end{verbatim} \begin{samepage} \begin{verbatim} infinity ----- k (2 k + 1) \ (-1) x ) ---------------- / (2 k + 1)! ----- k = 0 \end{verbatim} \end{samepage} }
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  • 110
    Publication Date: 2014-02-26
    Description: One of the challenging problems in the design of electronic circuits is the so-called routing problem. Roughly speaking, the task is to connect so-called terminal sets via wires on a predefined area. In addition, certain design rules are to be taken into account and an objective function such as the wiring length must be minimized. The routing problem in general is too complex to be solved in one step. Depending on the user's choice of decomposing the chip design problem into a hierarchy of stages, on the underlying technology, and on the given design rules, various subproblems arise. We discuss several variants of practically relevant routing problems and give a short overview on the underlying technologies and design rules. Many of the routing problems that come up this way can be formulated as the problem of packing so-called Steiner trees in certain graphs. We consider the Steiner tree packing problem from a polyhedral point of view and present three possibilities to define an appropriate polyhedron. Weighing their pros and cons we decide for one of these polytopes and sketch some of our investigations.
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  • 111
    Publication Date: 2014-02-26
    Description: We derive fast solvers for discrete elliptic variational inequalities of the second kind as resulting from the approximation by piecewise linear finite elements. Following the first part of this paper, monotone multigrid methods are considered as extended underrelaxations. Again, the coarse grid corrections are localized by suitable constraints, which in this case are fixed by fine grid smoothing. We consider the standard monotone multigrid method induced by the multilevel nodal basis and a truncated version. Global convergence results and asymptotic estimates for the convergence rates are given. The numerical results indicate a significant improvement in efficiency compared with previous multigrid approaches.
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  • 112
    Publication Date: 2014-02-26
    Description: The design of cost-efficient networks satisfying certain survivability constraints is of major concern to the telecommunications industry. In this paper we study a problem of extending the capacity of a network by discrete steps as cheaply as possible, such that the given traffic demand can be accommodated even when a single edge or node in the network fails. We derive valid and non-redundant inequalities for the polyhedron of capacity design variables, by exploiting its relationship to connectivity network design and knapsack-like subproblems. Computational work using this model and the additional inequalities is in progress.
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  • 113
    Publication Date: 2014-02-26
    Description: In this paper, a rather recent algorithmic approac to the numerical simulation of macromolecula processes is surveyed. It avoids the numerical stiff integration o thousands up to millions of ODE's by constructing a scale of discret Hilbert spaces, especially weighted sequence spaces, and establishing corresponding Galerkin method. Examples including polyreactions o industrial relevance and ecological waste management by biochemica recycling illustrate the importance and efficiency of the algorithm.
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  • 114
    Publication Date: 2014-02-26
    Description: We show that, given a wheel with nonnegative edge lengths and pairs of terminals located on the wheel's outer cycle such that no two terminal pairs cross, then a path packing, i.~e.,a collection of edge disjoint paths connecting the given terminal pairs, of minimum length can be found in strongly polynomial time. Moreover, we exhibit for this case a system of linear inequalities that provides a complete and nonredundant description of the path packing polytope, which is the convex hull of all incidence vectors of path packings and their supersets.
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  • 115
    Publication Date: 2022-07-07
    Description: The paper presents a construction scheme of deriving transparent , i. e. reflection-free, boundary conditions for the numerical solution of Fresnel's equation (being formally equivalent to Schrödinger's equation). These boundary conditions appear to be of a nonlocal Cauchy type. As it turns out, each kind of linear implicit discretization induces its own discrete transparent boundary conditions.
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  • 116
    Publication Date: 2022-07-07
    Language: English
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  • 117
    Publication Date: 2022-07-19
    Description: Sparse LU factorization offers some potential for parallelism, but at a level of very fine granularity. However, most current distributed memory MIMD architectures have too high communication latencies for exploiting all parallelism available. To cope with this, latencies must be avoided by coarsening the granularity and by message fusion. However, both techniques limit the concurrency, thereby reducing the scalability. In this paper, an implementation of a parallel LU decomposition algorithm for linear programming bases is presented for distributed memory parallel computers with noticable communication latencies. Several design decisions due to latencies, including data distribution and load balancing techniques, are discussed. An approximate performance model is set up for the algorithm, which allows to quantify the impact of latencies on its performance. Finally, experimental results for an Intel iPSC/860 parallel computer are reported and discussed.
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  • 118
    Publication Date: 2022-07-19
    Language: English
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  • 119
    Publication Date: 2022-07-19
    Language: English
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  • 120
    Publication Date: 2022-07-19
    Language: English
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  • 121
    Publication Date: 2022-07-19
    Language: English
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  • 122
    Publication Date: 2023-08-14
    Language: English
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  • 123
    Book
    Book
    Berlin [u.a.] :Springer,
    Title: Constructive approximation /; 303
    Author: DeVore, Ronald A.
    Contributer: Lorentz, George G.
    Publisher: Berlin [u.a.] :Springer,
    Year of publication: 1993
    Pages: X, 449 S. : , graph. Darst.
    Series Statement: ¬Die¬ Grundlehren der mathematischen Wissenschaften 303
    ISBN: 3-540-50627-6 , 0-387-50627-6
    Type of Medium: Book
    Language: English
    URL: 04
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  • 124
    Book
    Book
    Sebastopol, Ca. :O'Reilly,
    Title: Understanding DCE /
    Author: Rosenberry, Ward
    Contributer: Kenney, David , Fisher, Gerry
    Edition: 1. ed., minor corr.
    Publisher: Sebastopol, Ca. :O'Reilly,
    Year of publication: 1993
    Pages: XXV, 238 S.
    Series Statement: OSF distributed computing environment
    ISBN: 1-56592-005-8
    Type of Medium: Book
    Language: English
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  • 125
    Book
    Book
    New York, NY [u.a.] :Springer,
    Title: ¬The¬ joy of sets /
    Author: Devlin, Keith J.
    Edition: 2. ed., corr. printing.
    Publisher: New York, NY [u.a.] :Springer,
    Year of publication: 1993
    Pages: X, 192 S. : , graph. Darst.
    Series Statement: Undergraduate texts in mathematics
    ISBN: 3-540-94094-4 , 0-387-94094-4
    Type of Medium: Book
    Language: English
    Subsequent Title: Fundamentals of contemporary set theory
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  • 126
    Title: Netflow93: Network Optimization, Theory and Practice. San Miniato (PI) Italy, October 3-7, 1993 /
    Author: Università degli studi di Pisa Dipartimento di informatica
    Year of publication: 1993
    Pages: 247 S.
    Type of Medium: Book
    Language: English
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  • 127
    Book
    Book
    Louvain-la-Neuve :CORE Foundation,
    Title: Lectures on computation of equilibria with equation based methods /
    Author: Harker, Patrick T.
    Publisher: Louvain-la-Neuve :CORE Foundation,
    Year of publication: 1993
    Pages: VII, 181 S.
    Series Statement: CORE lecture series
    Type of Medium: Book
    Language: English
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  • 128
    Title: Algebraic specification techniques and tools for software development : the ACT approach; 1
    Author: Claßen, Ingo
    Contributer: Ehrig, Hartmut , Wolz, Dietmar
    Publisher: Singapore u.a. :World Scientific,
    Year of publication: 1993
    Pages: XVI, 237 S. : graph. Darst.
    Series Statement: AMAST series in computing 1
    ISBN: 981-02-1227-5
    Type of Medium: Book
    Language: English
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  • 129
    Publication Date: 2014-02-26
    Description: Manufacturing is a topic that provides rich opportunities for important mathematical contributions to real-world problems. The purpose of this paper is to show, by means of several examples, where and how mathematical problems of a discrete nature arise in manufacturing and to demonstrate the savings and improvements that can be achieved by employing the techniques of combinatorial optimization. The topics covered range from the design phase of a product (e. g.,routing, placement and via minimization in VLSI design), the control of CNC machines (e. g., drilling and plotting), to the management of assembly lines, storage systems and whole factories. We also point out difficulties in the modelling of complex situations and outline the algorithmic methods that are used for the solution of the mathematical problems arising in manufacturing. {\bf Key words:} discrete mathematics , combinatorial optimization, applications to manufacturing.
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  • 130
    Publication Date: 2014-02-26
    Description: Large scale combustion simulations show the need for adaptive methods. First, to save computation time and mainly to resolve local and instationary phenomena. In contrast to the widespread method of lines, we look at the reaction- diffusion equations as an abstract Cauchy problem in an appropriate Hilbert space. This means, we first discretize in time, assuming the space problems solved up to a prescribed tolerance. So, we are able to control the space and time error separately in an adaptive approach. The time discretization is done by several adaptive Runge-Kutta methods whereas for the space discretization a finite element method is used. The different behaviour of the proposed approaches are demonstrated on many fundamental examples from ecology, flame propagation, electrodynamics and combustion theory. {\bf Keywords:} initial boundary value problem, Rothe- method, adaptive Runge-Kutta method, finite elements, mesh refinement. {\bf AMS CLASSIFICATION:} 65J15, 65M30, 65M50.
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  • 131
    Publication Date: 2014-02-26
    Description: In this paper we describe a cutting plane algorithm for the Steiner tree packing problem. We use our algorithm to solve some switchbox routing problems of VLSI-design and report on our computational experience. This includes a brief discussion of separation algorithms, a new LP-based primal heuristic and implementation details. The paper is based on the polyhedral theory for the Steiner tree packing polyhedron developed in our companion paper SC 92-8 and meant to turn this theory into an algorithmic tool for the solution of practical problems.
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  • 132
    Publication Date: 2014-02-26
    Description: Let $G=(V,E)$ be a graph and $T\subseteq V$ be a node set. We call an edge set $S$ a Steiner tree with respect to $T$ if $S$ connects all pairs of nodes in $T$. In this paper we address the following problem, which we call the weighted Steiner tree packing problem. Given a graph $G=(V,E)$ with edge weights $w_e$, edge capacities $c_e, e \in E,$ and node sets $T_1,\ldots,T_N$, find edge sets $S_1,\ldots,S_N$ such that each $S_k$ is a Steiner tree with respect to $T_k$, at most $c_e$ of these edge sets use edge $e$ for each $e\in E$, and such that the sum of the weights of the edge sets is minimal. Our motivation for studying this problem arises from the routing problem in VLSI-design, where given sets of points have to be connected by wires. We consider the Steiner tree packing Problem from a polyhedral point of view and define an appropriate polyhedron, called the Steiner tree packing polyhedron. The goal of this paper is to (partially) describe this polyhedron by means of inequalities. It turns out that, under mild assumptions, each inequality that defines a facet for the (single) Steiner tree polyhedron can be lifted to a facet-defining inequality for the Steiner tree packing polyhedron. The main emphasis of this paper lies on the presentation of so-called joint inequalities that are valid and facet-defining for this polyhedron. Inequalities of this kind involve at least two Steiner trees. The classes of inequalities we have found form the basis of a branch & cut algorithm. This algorithm is described in our companion paper SC 92-09.
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  • 133
    Publication Date: 2020-10-05
    Description: The placement in the layout design of electronic circiuts consists of finding a non- overlapping assignment of rectangular cells to positions on the chip so what wireability is guaranteed and certain technical constraints are met.This problem can be modelled as a quadratic 0/1- program subject to linear constraints. We will present a decomposition approach to the placement problem and give results about $NP$-hardness and the existence of $\varepsilon$-approximative algorithms for the involved optimization problems. A graphtheoretic formulation of these problems will enable us to develop approximative algorithms. Finally we will present details of the implementation of our approach and compare it to industrial state of the art placement routines. {\bf Keywords:} Quadratic 0/1 optimization, Computational Complexity, VLSI-Design.
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  • 134
    Publication Date: 2014-02-26
    Description: Models for occupation dynamics in discrete quantum systems lead to large or even infinite systems of ordinary differential equations. Some new mathematical techniques, developed for the simulation of chemical processes, make a numerical solution of countable systems of ordinary differential equations possible. Both, a basic physical concept for the construction of such systems and the structure of the numerical tools for solving them are presented. These conceptual aspects are illustrated by a simulation of an occupation process from spectroscopy. In this example the structures of rotation spectra observed in infrared spectroscopy are explained and some possibilities for an extension of the model are shown.
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  • 135
    Publication Date: 2020-12-14
    Description: We present a polyhedral approach for the general problem of designing a minimum-cost network with specified connectivity requir
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  • 136
    Publication Date: 2014-02-26
    Description: In two-parameter systems two symmetry breaking bifurcation points of different types coalesce generically within one point. This causes secondary bifurcation points to exist. The aim of this paper is to understand this phenomenon with group theory and the innerconnectivity of irreducible representations of supergroup and subgroups. Colored pictures of examples are included.
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  • 137
    Publication Date: 2014-02-26
    Description: In this paper we investigate separation problems for classes of inequalities valid for the polytope associated with the Steiner tree packing problem, a problem that arises, e.~g., in VLSI routing. The separation problem for Steiner partition inequalities is ${\cal N}\hskip-2pt{\cal P}$-hard in general. We show that it can be solved in polynomial time for those instances that come up in switchbox routing. Our algorithm uses dynamic programming techniques. These techniques are also applied to the much more complicated separation problem for alternating cycle inequalities. In this case we can compute in polynomial time, given some point $y$, a lower bound for the gap $\alpha-a^Ty$ over all alternating cycle inequalities $a^Tx\ge\alpha$. This gives rise to a very effective separation heuristic. A by-product of our algorithm is the solution of a combinatorial optimization problem that is interesting in its own right: Find a shortest path in a graph where the ``length'' of a path is its usual length minus the length of its longest edge.
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  • 138
    Publication Date: 2020-03-06
    Language: English
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  • 139
    Publication Date: 2020-12-15
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  • 140
    Publication Date: 2020-03-20
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  • 141
    Publication Date: 2020-08-05
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  • 142
    Publication Date: 2020-08-05
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  • 143
    Publication Date: 2020-08-05
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  • 144
    Publication Date: 2020-08-05
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  • 145
    Publication Date: 2020-08-05
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  • 146
    Publication Date: 2014-02-26
    Description: The numerical treatment of Equivariant parameter-dependent onlinear equation systems, and even more its automation requires the intensive use of group theory. This paper illustrates the group theoretic computations which are done in the preparation of the numerical computations. The bifurcation graph which gives the bifurcation subgroups is determined from the interrelationship of the irreducible representations of a group and its subgroups. The Jacobian is transformed to block diagonal structure using a modification of the transformation which transforms to block diagonal structure with respect to a supergroup. The principle of conjugacy is used everywhere to make symbolic and numerical computations even more efficient. Finally, when the symmetry reduced problems and blocks of Jacobian matrices are evaluated numerically, the fact that the given representation is a quasi-permutation representation is exploited automatically.
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  • 147
    Publication Date: 2014-02-26
    Description: {\def\N{{\cal N}} \def\R{\hbox{\rm I\kern-2pt R}} \def\MN{{\rm I\kern-2pt N}} In this paper we study the following problem, which we call the weighted routing problem. Let be given a graph $G=(V,E)$ with non-negative edge weights $w_e\in\R_+$ and integer edge capacities $c_e\in\MN$ and let $\N=\{T_1,\ldots,T_N\}$, $N\ge 1$, be a list of node sets. The weighted routing problem consists in finding edge sets $S_1,\ldots,S_N$ such that, for each $k\in\{1,\ldots,N\}$, the subgraph $(V(S_k),S_k)$ contains an $[s,t]$-path for all $s,t\in T_k$, at most $c_e$ of these edge sets use edge $e$ for each $e\in E$, and such that the sum of the weights of the edge sets is minimal. Our motivation for studying this problem arises from the routing problem in VLSI-design, where given sets of points have to be connected by wires. We consider the weighted routing problem from a polyhedral point of view. We define an appropriate polyhedron and try to (partially) describe this polyhedron by means of inequalities. We briefly sketch our separation algorithms for some of the presented classes of inequalities. Based on these separation routines we have implemented a branch and cut algorithm. Our algorithm is applicable to an important subclass of routing problems arising in VLSI-design, namely to problems where the underlying graph is a grid graph and the list of node sets is located on the outer face of the grid. We report on our computational experience with this class of problem instances.}
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  • 148
    Publication Date: 2014-02-26
    Description: A new method for the numerical aproximation of an implicitly defined surface is presented. It is a generalization of the Euler- Gauss-Newton method for implicitly defined (one- parameter) curves to the case of (two-parameter) surfaces. The basic task in the more general case is an efficient combination of modern CAGD techniques (such as triangular Bernstein-Bzier patches and the nine parameter Hermite interpolant) and the rank deficient Gauss-Newton method.
    Keywords: ddc:000
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  • 149
    Publication Date: 2021-03-16
    Description: We propose an extended box method which turns out to be a variant of standard finite element methods in the case of pure diffusion and an extension of backward differencing to irregular grids if only convective transport is present. Together with the adaptive orientation proposed in a recent paper and a streamline ordering of the unknowns, this discretization leads to a highly efficient adaptive method for the approximation of internal layers in the case of large local Peclet numbers.
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  • 150
    Publication Date: 2014-02-26
    Description: Based on a simple stability analysis for the semi--implicit Euler discretization a new dynamic sparsing procedure is derived. This procedure automatically eliminates ``small'' elements of the Jacobian matrix. As a consequence, the amount of work needed to handle the linear algebra within a semi--implicit extrapolation integrator can be reduced drastically. Within the course of integration the sparsing criterion, which decides what ``small'' means, is dynamically adapted to ensure stability of the discretization scheme. Thus, stepsize restrictions due to instability can be avoided. Numerical experiments for quite different problems show robustness and efficiency of this dynamic sparsing technique. The techniques developed here in the context of stiff extrapolation integrators can, in principle, be applied to W--methods, where exact Jacobians may be replaced by ``sufficiently good'' approximations. {\bf Keywords:} Large scale integration, extrapolation methods, stiff ODEs, W--methods, sparse matrix techniques.
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  • 151
    Publication Date: 2014-02-26
    Description: In this paper we continue the investigations in [GMW92a] for the \def\sbppo{Steiner tree packing polyhedron} \sbppo. We present several new classes of valid inequalities and give sufficient (and necessary) conditions for these inequalities to be facet-defining. It is intended to incorporate these inequalities into an existing cutting plane algorithm that is applicable to practical problems arising in the design of electronic circuits.
    Keywords: ddc:000
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  • 152
    Publication Date: 2014-02-26
    Description: Subspace decompositions of finite element spaces based on $L2$-like orthogonal projections play an important role for the construction and analysis of multigrid like iterative methods. Recently several authors proved the equivalence of the associated discrete norms with the $H^1$-norm. The present report gives an elementary, self-contained derivation of this result which is based on the use of $ K$-functionals known from the theory of interpolation spaces. {\bf Keywords:} multilevel methods, nonuniform meshes, optimal convergence rates. {\bf AMS(MOS) Subject classifications:} 65N55, 65N30, 65N50.
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  • 153
    Publication Date: 2014-02-26
    Keywords: ddc:000
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  • 154
    Publication Date: 2014-02-26
    Description: Using the perturbational-variational Rayleigh-Ritz matrix formalism, the 1/Z-expansion for the ground state of the isoelectronic $H_2$ sequence in the range of the internuclear distance $0.2\le R \le 9.0$ is calculated. Also lower bounds of the radius of convergence, based on Kato's theory of linear operators, are given. The numerical results of the 1/Z-expansion can be compared with the exact results and do not converge in the whole R-range. This behavior is in qualitative agreement with the lower bounds for the radius of convergence and enlights some still open properties of 1/Z- expansions for this sequence in the literature. {\bf PACS:} 31.15 + q; 31.20 Di; 31.20 Tz.
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  • 155
    Publication Date: 2014-02-26
    Description: Let $\Re$ be the set of all binary relations on a finite set $N$ and $d$ be the symmetric difference distance defined on $\Re$. For a given profile $\Pi = (R_1,...,R_m) \in R^m$, a relation $R* \in \Re $ that minimizes the function $\sum^m_{k=1} d(R_k,R) $ is called a median relation of $\Pi$. A number of problems occuring in the social sciences, in qualitative data analysis and in multicriteria decision making can be modelled as problems of finding medians of a profile of binary relations. In these contexts the profile $\Pi$ represents collected data (preferences, similarities, games) and the objective is that of finding a median relation of $\Pi$ with some special feature (representing e. g., consensus of preferences, clustering of similar objects, ranking of teams, etc.). In this paper we analyse the computational complexity of all such problems in which the median is required to satisfy one or more of the properties: reflexitivity, symmetry, antisymmetry, transitivity and completeness. We prove that whenever transitivity is required (except when symmetry and completeness are also simultaneously required) then the corresponding median problem is $NP$-hard. In some cases we prove that they remain $NP$-hard when the profile $\Pi$ has a fixed number of binary relations.
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  • 156
    Publication Date: 2020-11-16
    Description: MEXX (short for MEXanical systems eXtrapolation integrator) is a Fortran code for time integration of constrained mechanical systems. MEXX is suited for direct integration of the equations of motion in descriptor form. It is based on extrapolation of a time stepping method that is explicit in the differential equations and linearly implicit in the nonlinear constraints. It only requires the solution of well--structured systems of linear equations which can be solved with a computational work growing linearly with the number of bodies, in the case of multibody systems with few closed kinematic loops. Position and velocity constraints are enforced throughout the integration interval, whereas acceleration constraints need not be formulated. MEXX has options for time--continuous solution representation (useful for graphics) and for the location of events such as impacts. The present article describes MEXX and its underlying concepts.
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  • 157
    Publication Date: 2019-05-10
    Description: We consider the approximate solution of selfadjoint elliptic problems in three space dimensions by piecewise linear finite elements with respect to a highly non-uniform tetrahedral mesh which is generated adaptively. The arising linear systems are solved iteratively by the conjugate gradient method provided with a multilevel preconditioner. Here, the accuracy of the iterative solution is coupled with the discretization error. as the performance of hierarchical bases preconditioners deteriorate in three space dimensions, the BPX preconditioner is used, taking special care of an efficient implementation. Reliable a-posteriori estimates for the discretization error are derived from a local comparison with the approximation resulting from piecewise quadratic elements. To illustrate the theoretical results, we consider a familiar model problem involving reentrant corners and a real-life problem arising from hyperthermia, a recent clinical method for cancer therapy.
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  • 158
    Publication Date: 2021-01-21
    Description: A Hamiltonian system subject to smooth constraints can typically be viewed as a Hamiltonian system on a manifold. Numerical computations, however, must be performed in $ R^n$. In this paper, canonical transformations from ``Hamiltonian differential--algebraic equations'' to ODEs in Euclidean space are considered. In \S2, canonical parameterizations or local charts are developed and it is shown how these can be computed in a practical framework. In \S3 we consider the construction of unconstrained Hamiltonian ODE systems in the space in which the constraint manifold is embedded which preserve the constraint manifold as an integral invariant and whose flow reduces to the flow of the constrained system along the manifold. It is shown that certain of these unconstrained Hamiltonian systems force Lyapunov stability of the constraint--invariants, while others lead to an unstable invariant. In \S4, we compare various projection techniques which might be incorporated to better insure preservation of the constraint--invariants in the context of numerical discretization. Numerical experiments illustrate the degree to which the constraint and symplectic invariants are maintained under discretization of various formulations. {\bf Keywords:} differential--algebraic equations, Hamiltonian systems, canonical discretization schemes. {\bf AMS(MOS):} subject classification 65L05.
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  • 159
    Publication Date: 2014-02-26
    Description: In this paper, two classes of second order accurate high resolution schemes are presented on regular triangular meshes for initial value problem of two dimensional conservation laws. The first class are called Runge-Kutta-FVM MmB (locally Maximum- minimum Bounds preserving) schemes, which are first discretized by (FVM) finite volume method in space direction and modifying numerical fluxes, and then by Runge-Kutta methods in time direction; The second class, constructed by Taylor expansion in time, and then by FVM methods and making modifications to fluxes, are called Taylor- FVM MmB schemes. MmB properties of both schemes are proved for 2-D scalar conservation law. Numerical results are given for Riemann problems of 2-D scalar conservation law and 2-D gas dynamics systems and some comparisons are made between the two classes of the schemes. Key words and phrases: MmB schemes, 2-D, conservation laws, gas dynamics systems, Runge-Kutta-FVM, Taylor-FVM.
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  • 160
    Publication Date: 2014-02-26
    Description: This paper deals with systems of $m$ polynomial equations in $n$ unknown, which have only finitely many solutions. A method is presented which decomposes the solution set into finitely many subsets, each of them given by a system of type \begin{displaymath} f_1(x_1)=0, f_2(x_1,x_2)=0,...,f_n(x_1,...,x_n)=0. \end{displaymath} The main tools for the decomposition are from ideal theory and use symbolical manipulations. For the ideal generated by the polynomials which describe the solution set, a lexicographical Gröbner basis is required. A particular element of this basis allows the decomposition of the solution set. A recursive application of these decomposition techniques gives finally the triangular subsystems. The algorithm gives even for non-finite solution sets often also usable decompositions. {\bf Keywords:} Algebraic variety decomposition, Gröbner bases, systems of nonlinear equations.
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  • 161
    Publication Date: 2014-02-26
    Description: A new adaptive approach for one-dimensional scalar conservation laws with convex flux is proposed. The initial data are approximated on an adaptive grid by a problem dependent, monotone interpolation procedure in such a way, that the multivalued problem of characteristic transport can be easily and explicitly solved. The unique entropy solution is chosen by means of a selection criterion due to LAX. For arbitrary times, the solutions is represented by an adaptive monotone spline interpolation. The spatial approximation is controlled by local $L^1$-error estimated. As a distinctive feature of the approach, there is no discretization in time. The method is monotone on fixed grids. Numerical examples are included, to demonstrate the predicted behavior. {\bf Key words.} method of characteristics, adaptive grids, monotone interpolation, $L^1$-error estimates {\bf AMS(MOS) subject classification.} 65M15, 65M25, 65M50.
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  • 162
    Publication Date: 2014-02-26
    Description: The matchings in a complete bipartite graph form a simplicial complex, which in many cases has strong structural properties. We use an equivalent description as chessboard complexes: the complexes of all non-taking rook positions on chessboards of various shapes. In this paper we construct `certificate $k$-shapes' $\Sigma(m,n,k)$ such that if the shape $A$ contains some $\Sigma(m,n,k)$, then the $(k{-}1)$-skeleton of the chessboard complex $\Delta(A)$ is vertex decomposable in the sense of Provan & Billera. This covers, in particular, the case of rectangular chessboards $A=[m]{\times}[n]$, for which $\Delta(A)$ is vertex decomposable if $n\ge 2m{-}1$, and the $(\lfloor{m+n+1\over3}\rfloor{-}1)$-skeleton is vertex decomposable in general. The notion of vertex decomposability is a very convenient tool to prove shellability of such combinatorially defined simplicial complexes. We establish a relation between vertex decomposability and the CL-shellability technique (for posets) of Björner & Wachs.
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  • 163
    Publication Date: 2014-02-26
    Description: The numerical solutions of Riemann problems in three, four, five and six pieces, which only contain contact discontinuities, are presented by using Taylor FVM MmB schemes on regular triangular meshes for 2-D gas dynamics systems. The 2-D Riemann initial data are as defined in [1], under the assumption that each jump in initial data outside of the origin projects exactly one planar wave of shocks, centered rarefaction waves , or contact discontinuities. The main ends of the paper are that spirals will be shown for some configurations and the relations of the solutions between different distibutions of Riemann initial data are explained by the numerical solutions of modified Riemann problems. Key words and phrases: Riemann problem, gas dynamics systems, spiral, MmB schemes.
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  • 164
    Publication Date: 2014-02-26
    Description: Whereas optimization of a linear function over an efficient set is a favourite topic for theoretical studies, the problem ($P^I$) of finding a maximal value of a linear function $dx$ over an integer efficient set is still open. The problem ($P^I$) is NP-hard and it is very unlikely that the maximal objective value of the integer problem ($P^I$) in many cases is greater than the maximal objective value of it's corresponding continuous problem ($P$). In this paper we pay atention to the study of the problem ($P^I$) and some related properties of the problem ($P$). In particular, we establish conditions determining whether or not an optimal solution to the problem ($P$) is an optimal solution to the it's corresponding linear program. For the problem ($P^I$) we find an upper bound for it's optimal objective value and present an algorithm which gives a global optimal solution after a finite number of steps. We also study two particular classes of problems ($P^I$) : the bicriteria case and the case when $d$ is a nonnegative linear combination of the vectors-criteria defining the efficient set. Key words: Multiple objective linear programming, integer efficient set, efficient cone, cutting plane.
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  • 165
    Publication Date: 2014-02-26
    Description: Two commercially available molecular electronic structure software packages GAUSSIAN90 and GAMESS-UK are compared. Basis for this comparison is a benchmark suite which is designed to highlight the typical range of calculations commonly performed by the ab initio computational chemist.
    Keywords: ddc:000
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  • 166
    Publication Date: 2014-02-26
    Description: The following report intends to provide a survey over the computational chemistry molecular structure software installed on the supercomputers CRAY X-MP/216 and CRAY Y-MP2E/164 at ZIB. It shows what kind of problems can be tackled with the existing chemistry software, which covers a wide range of ab initio, semiempirical, molecular mechanics, and dynamics applications.
    Keywords: ddc:000
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  • 167
    Publication Date: 2014-02-26
    Description: This report presents new codes for the numerical solution of highly nonlinear systems. They realize the most recent variants of affine invariant Newton Techniques due to Deuflhard. The standard method is implemented in the code NLEQ1, whereas the code NLEQ2 contains a rank reduction device additionally. The code NLEQ1S is the sparse version of NLEQ1, i.e. the arising linear systems are solved with sparse matrix techniques. Within the new implementations a common design of the software in view of user interface and internal modularization is realized. Numerical experiments for some rather challenging examples illustrate robustness and efficiency of algorithm and software.
    Keywords: ddc:000
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  • 168
    Publication Date: 2014-02-26
    Description: In this paper we describe a modular implementation of the well-established extrapolation codes EULEX, EULSIM and DIFEX for initial value problems of ordinary differential equations. The basic module embodies an abstract extrapolation method with order and stepsize control. Based on this module the particular integration codes only have to provide the underlying discretization schemes.
    Keywords: ddc:000
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  • 169
    Publication Date: 2022-07-07
    Language: English
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  • 170
    Publication Date: 2022-07-07
    Language: English
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  • 171
    Publication Date: 2022-07-07
    Language: English
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  • 172
    Publication Date: 2022-07-19
    Language: English
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  • 173
    Publication Date: 2022-07-19
    Language: English
    Type: other , doc-type:Other
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  • 174
    Publication Date: 2022-07-19
    Language: English
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  • 175
    Publication Date: 2022-07-19
    Language: English
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  • 176
    Publication Date: 2022-07-19
    Language: English
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  • 177
    Publication Date: 2023-08-14
    Language: English
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  • 178
    Title: Mathematical modelling of industrial processes : held in Bari, Italy, Sept. 24 - 29, 1990; 1990,3, 1521
    Contributer: Busenberg, Stavros N. , Forte, Bruno , Kuiken, Hendrik K. , Capasso, Vincenzo
    Publisher: Berlin [u.a.] :Springer,
    Year of publication: 1992
    Pages: 162 S. : graph. Darst.
    Series Statement: Lectures given at the ... session of the Centro Internazionale Matematico Estivo (CIME) 1990,3
    ISBN: 3-540-55595-1 , 0-387-55595-1
    Type of Medium: Book
    Language: English
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  • 179
    Title: CAST: methods in modelling : computer aided systems theory for the design of intelligent machines
    Contributer: Pichler, Franz
    Publisher: Berlin [u.a.] :Springer,
    Year of publication: 1992
    Pages: XIII, 376 S. : Ill., graph. Darst.
    ISBN: 3-540-55405-X , 0-387-55405-X
    Type of Medium: Book
    Language: English
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  • 180
    Book
    Book
    Boston [u.a.] :Birkhäuser,
    Title: Riemannian geometry /
    Author: Carmo, Manfredo P. do
    Uniform Title: Geometria riemanniana 〈engl.〉
    Edition: 2. print.
    Publisher: Boston [u.a.] :Birkhäuser,
    Year of publication: 1992
    Pages: 300 S.
    Series Statement: Mathematics: Theory and applications
    ISBN: 0-8176-3490-8 , 3-7643-3490-8
    Type of Medium: Book
    Language: English
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  • 181
    Book
    Book
    Boston :Academic Press,
    Title: Markov processes : an introduction for physical scientists
    Author: Gillespie, Daniel T.
    Edition: 1
    Publisher: Boston :Academic Press,
    Year of publication: 1992
    Pages: XXI, 565 S.
    ISBN: 0-12-283955-2
    Type of Medium: Book
    Language: English
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  • 182
    Title: IEEE transactions on image processing : a publication of the IEEE Signal Processing Society
    Author: Institute of Electrical and Electronics Engineers / Computer Group
    Contributer: Signal Processing Society
    Publisher: New York, NY :Inst.,
    Year of publication: 1992
    Dates of Publication: 1.1992 -
    ISSN: 1057-7149
    Type of Medium: Book
    Language: English
    Parallel Title: Internetausg. ---〉:Institute of Electrical and Electronics Engineers: IEEE transactions on image processing
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  • 183
    Book
    Book
    Amsterdam [u.a.] :North-Holland,
    Title: Reliability in computational mechanics /; 101.1992,1/3
    Contributer: Demkowicz, L. , Oden, J. T.
    Publisher: Amsterdam [u.a.] :North-Holland,
    Year of publication: 1992
    Pages: 485 S.
    Series Statement: Computer methods in applied mechanics and engineering 101.1992,1/3
    Type of Medium: Book
    Language: English
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  • 184
    Book
    Book
    Louvain-la-Neuve :CORE Foundation,
    Title: Lectures on semiparametric econometrics /
    Author: Stoker, Thomas M.
    Publisher: Louvain-la-Neuve :CORE Foundation,
    Year of publication: 1992
    Pages: III, 138 S. : graph. Darst.
    Series Statement: CORE lectures series
    Type of Medium: Book
    Language: English
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  • 185
    Publication Date: 2020-12-15
    Description: The present paper contains a generalization of a refinement of the Newton- Mysovskii theorem, recently obtained by the authors, to the case of Gauss-Newton procedures for solving nonlinear least-squares problems with full Jacobians. Invariant sufficient conditions are given that ensure the convergence of the Gauss-Newton iterates towards a solution of the problem, as well as the uniqueness of that solution in an explicitely defined neighborhood. It is shown by a counter- example that the results do not carry over to the rank deficient case.
    Keywords: ddc:000
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  • 186
    Publication Date: 2014-02-26
    Description: The breakdown voltage highly depends on the electric field in the depletion area whose computation is the most time consuming part of the simulation. We present a self adaptive Finite Element Method which reduces dramatically the required computation time compared to usual Finite Difference Methods. A numerical example illustrates the efficiency and reliability of the algorithm.
    Keywords: ddc:000
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  • 187
    Publication Date: 2014-02-26
    Description: Part III of the paper is devoted to the construction of an adaptive FEM solver in two spatial dimensions, which is able to handle the singularly perturbed elliptic problems arising from discretization in time. The problems of error estimation and multilevel iterative solution of the linear systems - both uniformly well behaved with respect to the time step - can be solved simultaneously within the framework of preconditioning. A multilevel nodal basis preconditioner able to handle highly nonuniform meshes is derived. As a numerical example an application of the method to the bioheat-transfer equation is included. {\bf AMS CLASSIFICATION:} 65F10, 65F35, 65M50, 65M60, 65N30.
    Keywords: ddc:000
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  • 188
    Publication Date: 2020-09-24
    Description: Most nonlinear computations require the evaluation of first and higher derivatives of vector functions defined by computer programs. It is shown here how vectors of such partial derivatives can be obtained automatically and efficiently if the computer language allows overloading (as is or will be the case for C++, PASCAL-XSC, FORTRAN90, and other modern languages). Here, overloading facilitates the extension of arithmetic operations and univariate functions from real or complex arguments to truncated Taylor-series (or other user- defined types), and it generates instructions for the subsequent evaluation of adjoints. Similar effects can be achieved by precompilation of FORTRAN77 programs. The proposed differentiation algorithm yields gradients and higher derivatives at a small multiple of the run-time and RAM requirement of the original function evaluation program. {\bf Keywords:} Automatic Differentiation, Chain Rule, Overloading, Taylor Coefficients, Gradients, Hessians, Reverse Accumulation, Adjoint Equations. {\bf Abbreviated title:} Automatic Differentiation by Overloading.
    Keywords: ddc:000
    Language: English
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  • 189
    Publication Date: 2014-02-26
    Description: The description of chain length distributions in macromolecular reaction kinetics leads to so-called countable systems of differential equations. In particular, when the appearing reaction rate coefficients depend on the chain length of the reacting macromolecules itself, an efficient numerical treatment of these systems is very difficult. Then even the evaluation of the right-hand side of the system can become prohibitively expensive with respect to computing time. In this paper we show how the discrete Galerkin method can be applied to such problems. The existing algorithm CODEX is improved by use of a multiplicative error correction scheme for time discretization and a new type of numerical preprocessing by means of a Gauss summation. Both ideas are exemplary for a wide class of approximation types and are described very briefly here. The new numerical techniques are tested on an example from soot formation, where the coagulation of molecules is modeled in terms of reaction coefficients depending on the surface of the particles and their collision frequency.
    Keywords: ddc:000
    Language: English
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  • 190
    Publication Date: 2014-02-26
    Description: The numerical solution of optimal control problems by indirect methods (such as multiple shooting or collocation) requires a considerable amount of analytic calculation to establish a numerically tractable system. These analytic calculations, though being rather tedious in realistic examples, are nowadays mostly still done by hand-and thus prone to calculation errors. The paper aims at automating this analytic processing to a reasonable extent by means of a modern symbolic manipulation language (here: REDUCE). In its present stage of development the package OCCAL (mnemotechnically for \underline{O}ptimal \underline{C}ontrol \underline{CAL}culator) permits an interactive use, covering tasks like automatic determination of control and, in case of a singular control, of its order. In simpler problems, the present version of OCCAL automatically produces the full subroutine input for a MULtiple shooting code (MULCON) with adaptive numerical CONtinuation. In more complicate problems where singular sub-arcs may occur or where the sequence of sub-arcs of the optimal trajectory is unclear OCCAL is a significant help in reducing analytic pre-processing. Numerical examples illustrate the performance of OCCAL/MULCON.
    Keywords: ddc:000
    Language: English
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  • 191
    Publication Date: 2014-02-26
    Description: If $B$ is an arrangement of linear complex Hyperplanes in $C^d$, then the following can be constructed from knowledge of its intersection lattice: (a) the cohomology groups of the complement [Br], (b) the cohomology algebra of the complement [OS], (c) the fundamental group of the complement, if $d\le2$, (d) the singularity link up to homeomorphism, if $d\le3$, (e) the singularity link up to homotopy type [ZZ]. If $B'$ is, more generally, a 2-arrangement in $ R^{2d}$ (an arrangement of real subspaces of codimension 2 with even-dimensional intersections), then the intersection lattice still determines (a) the cohomology groups of the complement [GM] and (e) the homotopy type of the singularity link [ZZ]. We show, however, that for 2-arrangements the data (b), (c) and (d) are not determined by the intersection lattice. They require the knowledge of extra information on sign patterns, which can be computed as determinants of linear relations, or (equivalently) as linking coefficients in the sense of knot theory.
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    Language: English
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  • 192
    Publication Date: 2014-02-26
    Description: We prove combinatorial formulas for the homotopy type of the union of the subspaces in an (affine, compactified affine, spherical or projective) subspace arrangement. From these formulas we derive results of Goresky & MacPherson on the homology of the arrangement and the cohomology of its complement. The union of an arrangement can be interpreted as the direct limit of a diagram of spaces over the intersection poset. A closely related space is obtained by taking the homotopy direct limit of this diagram. Our method consists in constructing a combinatorial model diagram over the same poset, whose homotopy limit can be compared to the original one by usual homotopy comparison results for diagrams of spaces.
    Keywords: ddc:000
    Language: English
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  • 193
    Publication Date: 2014-02-26
    Description: A new adaptive multilevel approach for linear partial differential equations is presented, which is able to handle complicated space geometries, discontinuous coefficients, inconsistent initial data. Discretization in time first (Rothe's method) with order and stepsize control is perturbed by an adaptive finite element discretization of the elliptic subproblems, whose errors are controlled independently. Thus the high standards of solving adaptively ordinary differential equations and elliptic boundary value problems are combined. A theory of time discretization in Hilbert space is developed which yields to an optimal variable order method based on a multiplicative error correction. The problem of an efficient solution of the singularly perturbed elliptic subproblems and the problem of error estimation for them can be uniquely solved within the framework of preconditioning. A Multilevel nodal basis preconditioner is derived, which allows the use of highly nonuniform triangulations. Implementation issues are discussed in detail. Numerous numerical examples in one and two space dimensions clearly show the significant perspectives opened by the new algorithmic approach. Finally an application of the method is given in the area of hyperthermia, a recent clinical method for cancer therapy.
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  • 194
    Publication Date: 2020-03-06
    Description: NUMSIM 91 fand vom 6.-08. Mai 1991 im Wissenschaftlichen Kommunikations- & Konferenz- Zentrum der Humboldt-Universität in Gosen bei Berlin statt. Im Mittelpunkt dieses Seminars standen Probleme der numerischen Simulation von Ladungstransport- und Technologieprozessen der Mikro- und Optoelektronik. Es führte Spezialisten der physikalischen Modellierung, der numerischen Mathematik und mathematischen Analysis sowie Nutzer von Simulationsprogrammen aus dem deutschsprachigen Raum zusammen. Ziel war die Vermittlung und der Austausch von Erfahrungen, die Diskussion gemeinsamer Aufgabenstellungen und Projekte und - in Anbetracht der deutschen Vereinigung nicht zuletzt - das gegenseitige Kennen- und Verstehenlernen.
    Keywords: ddc:000
    Language: English
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  • 195
    Publication Date: 2020-03-06
    Language: English
    Type: article , doc-type:article
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  • 196
    Publication Date: 2020-10-02
    Language: English
    Type: book , doc-type:book
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  • 197
    Publication Date: 2021-03-16
    Language: English
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  • 198
    Publication Date: 2020-08-05
    Language: English
    Type: masterthesis , doc-type:masterThesis
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  • 199
    Publication Date: 2020-08-05
    Language: English
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  • 200
    Publication Date: 2020-08-05
    Language: English
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