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  • 1995-1999  (117)
  • 1920-1924
  • 1996  (117)
  • English  (117)
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  • 1995-1999  (117)
  • 1920-1924
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  • 1
    Publication Date: 2014-02-26
    Description: This paper provides the {\em first} detailed description of the architecture of the computing machines Z1 and Z3 designed by Konrad Zuse in Berlin between 1936 to 1941. The necessary information was obtained from a careful evaluation of the patent application filed by Zuse in 1941. Additional insight was gained from a software simulation of the machine's logic. The Z1 was built using purely mechanical components, the Z3 using electromechanical relays. However, both machines shared a common logical structure and the programming model was exactly the same. We argue that both the Z1 and the Z3 possessed features akin to those of modern computers: memory and processor were separate units, the processor could handle floating-point numbers and compute the four basic arithmetical operations as well as the square root of a number. The program was stored on punched tape and was read sequentially. In the last section of this paper we bring the architecture of the Z1 and Z3 into historical perspective by offering a comparison with computing machines built in other countries.
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  • 2
    Publication Date: 2014-11-11
    Description: We study the parallelization of the steepest-edge version of the dual simplex algorithm. Three different parallel implementations are examined, each of which is derived from the CPLEX dual simplex implementation. One alternative uses PVM, one general-purpose System V shared-memory constructs, and one the PowerC extension of C on a Silicon Graphics multi-processor. These versions were tested on different parallel platforms, including heterogeneous workstation clusters, Sun S20-502, Silicon Graphics multi-processors, and an IBM SP2. We report on our computational experience.
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  • 3
    Publication Date: 2014-02-26
    Description: We present an algorithm for solving stochastic integer programming problems with recourse, based on a dual decomposition scheme and Lagrangian relaxation. The approach can be applied to multi-stage problems with mixed-integer variables in each time stage. %We outline a branch-and-bound algorithm for obtaining primal feasible and %possibly optimal solutions. Numerical experience is presented for some two-stage test problems.
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  • 4
    Publication Date: 2014-02-26
    Description: The paper presents the concept of a new type of algorithm for the numerical computation of what the authors call the {\em essential dynamics\/} of molecular systems. Mathematically speaking, such systems are described by Hamiltonian differential equations. In the bulk of applications, individual trajectories are of no specific interest. Rather, time averages of physical observables or relaxation times of conformational changes need to be actually computed. In the language of dynamical systems, such information is contained in the natural invariant measure (infinite relaxation time) or in almost invariant sets ("large" finite relaxation times). The paper suggests the direct computation of these objects via eigenmodes of the associated Frobenius-Perron operator by means of a multilevel subdivision algorithm. The advocated approach is different to both Monte-Carlo techniques on the one hand and long term trajectory simulation on the other hand: in our setup long term trajectories are replaced by short term sub-trajectories, Monte-Carlo techniques are just structurally connected via the underlying Frobenius-Perron theory. Numerical experiments with a first version of our suggested algorithm are included to illustrate certain distinguishing properties. A more advanced version of the algorithm will be presented in a second part of this paper.
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  • 5
    Publication Date: 2014-02-26
    Description: The aim of this work is to study the accuracy and stability of the Chebyshev--approximation method as a time--discretization for wavepacket dynamics. For this frequently used discretization we introduce estimates of the approximation and round--off error. These estimates mathematically confirm the stability of the Chebyshev--approximation with respect to round--off errors, especially for very large stepsizes. But the results also disclose threads to the stability due to large spatial dimensions. All theoretical statements are illustrated by numerical simulations of an analytically solvable example, the harmonic quantum oszillator.
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  • 6
    Publication Date: 2014-02-26
    Description: We present an integrated time--space adaptive finite element method for solving systems of twodimensional nonlinear parabolic systems in complex geometry. The partial differential system is first discretized in time using a singly linearly implicit Runge--Kutta method of order three. Local time errors for the step size control are defined by an embedding strategy. These errors are used to propose a new time step by a PI controller algorithm. A multilevel finite element method with piecewise linear functions on unstructured triangular meshes is subsequently applied for the discretization in space. The local error estimate of the finite element solution steering the adaptive mesh refinement is obtained solving local problems with quadratic trial functions located essentially at the edges of the triangulation. This two--fold adaptivity successfully ensures an a priori prescribed tolerance of the solution. The devised method is applied to laminar gaseous combustion and to solid--solid alloying reactions. We demonstrate that for such demanding applications the employed error estimation and adaption strategies generate an efficient and versatile algorithm.
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  • 7
    Publication Date: 2015-06-01
    Description: \iffalse Recently, Todorov and Wilf independently realized that de Branges' original proof of the Bieberbach and Milin conjectures and the proof that was later given by Weinstein deal with the same special function system that de Branges had introduced in his work. In this article, we present an elementary proof of this statement based on the defining differential equations system rather than the closed representation of de Branges' function system. Our proof does neither use special functions (like Wilf's) nor the residue theorem (like Todorov's) nor the closed representation (like both), but is purely algebraic. On the other hand, by a similar algebraic treatment, the closed representation of de Branges' function system is derived. Our whole contribution can be looked at as the study of properties of the Koebe function. Therefore, in a very elementary manner it is shown that the known proofs of the Bieberbach and Milin conjectures can be understood as a consequence of the Löwner differential equation, plus properties of the Koebe function. \fi In his 1984 proof of the Bieberbach and Milin conjectures de Branges used a positivity result of special functions which follows from an identity about Jacobi polynomial sums that was found by Askey and Gasper in 1973, published in 1976. In 1991 Weinstein presented another proof of the Bieberbach and Milin conjectures, also using a special function system which (by Todorov and Wilf) was realized to be the same as de Branges'. In this article, we show how a variant of the Askey-Gasper identity can be deduced by a straightforward examination of Weinstein's functions which intimately are related with a Löwner chain of the Koebe function, and therefore with univalent functions.
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  • 8
    Publication Date: 2014-11-02
    Description: This paper presents a large-scale real-world application of the minimum-cost flow problem, describes some details of a new implementation of the network simplex algorithm, and reports on computational comparisions. The real-world test sets include minimum-cost flow problems that are based on single-depot vehicle scheduling problems and on a Lagrangean relaxation of multiple-depot vehicle scheduling problems. Some of the problems are extremely large with up to 42,000 nodes and 20,000,000 arcs. The standard test problems are generated with NETGEN and include parts of the DIMACS standard problems. Our network simplex code is compared with \mbox{RELAX-IV}, Cost Scaling 2 version 3.4, and CPLEX's network solver NETOPT.
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  • 9
    Publication Date: 2014-02-26
    Description: Integrals of optimal values of random optimization problems depending on a finite dimensional parameter are approximated by using empirical distributions instead of the original measure. Under fairly broad conditions, it is proved that uniform convergence of empirical approximations of the right hand sides of the constraints implies uniform convergence of the optimal values in the linear and convex case.
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  • 10
    Publication Date: 2014-02-26
    Description: The adaptive Rothe method approaches a time-dependent PDE as an ODE in function space. This ODE is solved {\em virtually} using an adaptive state-of-the-art integrator. The {\em actual} realization of each time-step requires the numerical solution of an elliptic boundary value problem, thus {\em perturbing} the virtual function space method. The admissible size of that perturbation can be computed {\em a priori} and is prescribed as a tolerance to an adaptive multilevel finite element code, which provides each time-step with an individually adapted spatial mesh. In this way, the method avoids the well-known difficulties of the method of lines in higher space dimensions. During the last few years the adaptive Rothe method has been applied successfully to various problems with infinite speed of propagation of information. The present study concerns the adaptive Rothe method for hyperbolic equations in the model situation of the wave equation. All steps of the construction are given in detail and a numerical example (diffraction at a corner) is provided for the 2D wave equation. This example clearly indicates that the adaptive Rothe method is appropriate for problems which can generally benefit from mesh adaptation. This should be even more pronounced in the 3D case because of the strong Huygens' principle.
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  • 11
    Publication Date: 2014-02-26
    Description: A numerical method for the treatment of moving discontinuities in the model equations of chemical engineering systems is presented. The derived model describing the effects of condensation and evaporation in a regenerative air to air heat exchanger yields an illustrative example for these so called moving boundary problems. The presented adaptive moving grid method is based on the algorithm {\sc Pdex} for parabolic partial differential equations. It is shown that the method is suited for problems where the arising discontinuities cause low rates of convergence if the equations are solved with a static grid.
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  • 12
    Publication Date: 2014-02-26
    Description: Nahezu flächendeckend sind die mathematischen Fachbereiche der BRD zum Jahresende '95 im WWW vertreten. Durch die relative hohe Zahl von Servern entstehen Schwierigkeiten bei der Sichtung der angebotenen Information. Wir besprechen "Harvest" als brauchbares und gebrauchsfähiges Hilfsmittel zur Dokumentation.
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  • 13
    Publication Date: 2014-02-27
    Description: In this thesis we describe a practical problem that we encountered in the on--line optimization of a complex Flexible Manufacturing System. In the considered system a stacker crane has to fulfill all transportation tasks (jobs) in a single aisled automatic storage system. The jobs have to be sequenced in such a way, that the time needed for the unloaded moves is minimized. The modelling of this question leads to the so--called on--line Hamiltonian path problem. We computationally compare several on--line heuristics and derive lower bounds on the value obtained by an optimal on--line strategy by analyzing two off--line Combinatorial Optimization problems: the asymmetric Hamiltonian path problem with precedence constraints, also called sequential ordering problem (SOP), and the asymmetric Hamiltonian path problem with time windows (AHPPTW). We study the SOP and AHPPTW from a polyhedral point of view and derive several new classes of valid inequalities. Based on the polyhedral investigations we develop branch&cut algorithms for both problems and can achieve encouraging results on solving problem instances from real--world examples of the practical application.
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    Type: doctoralthesis , doc-type:doctoralThesis
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  • 14
    Publication Date: 2018-02-27
    Description: The Internet and the new electronic means of information and communication are transforming scientific communication fundamentally. In particular, mathematicians, physicists and other natural scientists intensify, accelerate and extend their communication by the use of the Internet and its tools, from electronic mail up to the World Wide Web. In doing so, they also exchange scientific results of a new kind and quality yet unknown to traditional information providers such as publishers, libraries, and database suppliers (e.g. in the form of current research software, scientific data collections, observations and experimental data, visualizations, animations etc.). They, on the other hand, perceive the new ways, which are passing their own field of activity, as breakdowns of traditional publishing, as it was termed by the Association of Computing Machinery. In addition, scientific libraries find themselves caught in a structural crisis -- not only because of budget restraints. The {\it Deutsche Mathematiker-Vereinigung} (DMV), however, sees the new electronic means as an opportunity to master a crisis of this kind rather than a threat. By discussing concrete models, which may be - in a certain technical sense -- realizable already today, the article gives an introduction into the subject of a {\it Distributed Information- and Communication System for Mathematics}, a project prepared and planned by the DMV for the years 1996 to 1998. In the context of possible realization variants it also deals with questions of costs, resulting load of network connections, and -- showing the beginnings -- the (absolutely essential) solution of problems related to quality, authenticity, archival and intellectual property rights, which arise with the employment of electronic means. Obviously (even if not discussed explicitly) also computing centers, whose tasks and position are also affected by the electronic revolution, have the chance to find a new and forward-looking role in this field - in particular by new forms of cooperation with scientific libraries.
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  • 15
    Publication Date: 2014-02-26
    Description: We present parallel formulations of the well established extrapolation algorithms EULSIM and LIMEX and its implementation on a distributed memory architecture. The discretization of partial differential equations by the method of lines yields large banded systems, which can be efficiently solved in parallel only by iterative methods. Polynomial preconditioning with a Neumann series expansion combined with an overlapping domain decomposition appears as a very efficient, robust and highly scalable preconditioner for different iterative solvers. A further advantage of this preconditioner is that all computation can be restricted to the overlap region as long as the subdomain problems are solved exactly. With this approach the iterative algorithms operate on very short vectors, the length of the vectors depends only on the number of gridpoints in the overlap region and the number of processors, but not on the size of the linear system. As the most reliable and fast iterative methods based on this preconditioning scheme appeared GMRES or FOM and BICGSTAB. To further reduce the number of iterations in GMRES or FOM we can reuse the Krylov-spaces constructed in preceeding extrapolation steps. The implementation of the method within the program LIMEX results in a highly parallel and scalable program for solving differential algebraic problems getting an almost linear speedup up to 64 processors even for medium size problems. Results are presented for a difficult application from chemical engineering simulating the formation of aerosols in industrial gas exhaust purification.
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  • 16
    Publication Date: 2020-05-04
    Language: English
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  • 17
    Publication Date: 2020-12-15
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  • 18
    Publication Date: 2020-09-25
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  • 19
    Publication Date: 2020-11-16
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  • 20
    Publication Date: 2020-12-14
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  • 21
    Publication Date: 2020-09-24
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  • 22
    Publication Date: 2021-01-21
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  • 23
    Publication Date: 2021-01-21
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  • 24
    Publication Date: 2021-03-16
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  • 25
    Publication Date: 2021-03-16
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  • 26
    Publication Date: 2021-03-16
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  • 27
    Publication Date: 2021-03-16
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  • 28
    Publication Date: 2021-03-16
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  • 29
    Publication Date: 2020-03-20
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  • 30
    Publication Date: 2020-03-20
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  • 31
    Publication Date: 2020-08-05
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  • 32
    Publication Date: 2020-08-05
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  • 33
    Publication Date: 2020-08-05
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  • 34
    Publication Date: 2020-08-05
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  • 35
    Publication Date: 2020-08-05
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  • 36
    Publication Date: 2020-08-05
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  • 37
    Publication Date: 2020-08-05
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  • 38
    Publication Date: 2020-08-05
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  • 39
    Publication Date: 2020-08-05
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  • 40
    Publication Date: 2014-02-26
    Description: We investigate dominance relations between basic semidefinite relaxations and classes of cuts. We show that simple semidefinite relaxations are tighter than corresponding linear relaxations even in case of linear cost functions. Numerical results are presented illustrating the quality of these relaxations.
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  • 41
    Publication Date: 2014-02-26
    Description: The paper presents computations of decaying two--dimensional turbulence in an adaptive wavelet basis. At each time step the vorticity is represented by an adaptively selected set of wavelet functions which adjusts to the instantaneous distribution of vorticity. The results of this new algorithm are compared to a classical Fourier method and a Fourier method supplemented with wavelet compression in each time step.
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  • 42
    Publication Date: 2014-02-26
    Description: For a polyhedral cone $C=$ pos $\{a^1,\dots,a^m\}\subset R^d$, $a^i\in Z^d$, a subset of integral vectors $H(C)\subset C \cap Z^d$ is called a Hilbert basis of $C$ iff (i) each element of $C\cap Z^d$ can be written as a non-negative integer combination of elements of $H(C)$ and (ii) $H(C)$ has minimal cardinality with respect to all subsets of $C \cap Z^d$ for which (i) holds. We show that various problems related to Hilbert bases are hard in terms of computational complexity. However, if the dimension and the number of elements of the Hilbert basis are fixed, a Hilbert basis can always be computed in polynomial time. Furthermore we introduce a (practical) algorithm for computing the Hilbert basis of a polyhedral cone. The finiteness of this method is deduced from a result about the height of a Hilbert basis which, in particular, improves on former estimates.
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  • 43
    Publication Date: 2014-02-26
    Description: In General Relativity, the motion of expanding shearfree perfect fluids is governed by the ordinary differential equation $y^{\prime \prime }=$ $% F(x)\,y^2$ , where $F$ is an arbitrary function from which the equation of state can be computed. A complete symmetry analysis of this differential equation is given; its solutions are classified according to this scheme, and in particular the relation to Wyman's Painlev\'e analysis is clarified.
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  • 44
    Publication Date: 2020-12-15
    Description: We perform a high statistics calculation of the equation of state for non-compact QED on large lattices. The calculation extends to fermionic correlation lengths of $\approx 8$, and it is combined with a finite size scaling analysis of the lattice data.
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  • 45
    Publication Date: 2014-02-26
    Description: We consider the fast solution of large, piecewise smooth minimization problems as resulting from the approximation of elliptic free boundary problems. The most delicate question in constructing a multigrid method for a nonlinear, non--smooth problem is how to represent the nonlinearity on the coarse grids. This process usually involves some kind of linearization. The basic idea of monotone multigrid methods to be presented here is first to select a neighborhood of the actual smoothed iterate in which a linearization is possible and then to constrain the coarse grid correction to this neighborhood. Such a local linearization allows to control the local corrections at each coarse grid node in such a way that the energy functional is monotonically decreasing. This approach leads to globally convergent schemes which are robust with respect to local singularities of the given problem. The numerical performance is illustrated by approximating the well-known Barenblatt solution of the porous medium equation.
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  • 46
    Publication Date: 2014-02-26
    Description: We prove inequalities relating the inradius of a convex body with interior containing no point of the integral lattice, with the volume or surface area of the body. These inequalities are tight and generalize previous results.
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  • 47
    Publication Date: 2014-02-26
    Description: \small Many interesting phenomena in molecular systems like interactions between macro-molecules, protein-substrate docking, or channeling processes in membranes are gouverned to a high degree by classical Coulomb or van-der-Waals forces. The visualization of these force fields is important for verifying numerical simulations. Moreover, by inspecting the forces visually we can gain deeper insight into the molecular processes. Up to now the visualization of vector fields is quite unusual in computational chemistry. In fact many commercial software packages do not support this topic at all. The reason is not that vector fields are considered unimportant, but mainly because of the lack of adequate visualization methods. In this paper we survey a number of methods for vector field visualization, ranging from well-known concepts like arrow or streamline plots to more advanced techniques like line integral convolution, and show how these can be applied to computational chemistry. A combination of the most meaningful methods in an interactive 3D visualization environment can provide a powerful tool box for analysing simulations in molecular dynamics.
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  • 48
    Publication Date: 2014-02-26
    Description: In this paper we generalize a result by Rubin and Ungar on Hamiltonian systems containing a strong constraining potential to Langevin dynamics. Such highly oscillatory systems arise, for example, in the context of molecular dynamics. We derive constrained equations of motion for the slowly varying solution components. This includes in particular the derivation of a correcting force-term that stands for the coupling of the slow and fast degrees of motion. We will identify two limiting cases: (i) the correcting force becomes, over a finite interval of time, almost identical to the force term suggested by Rubin and Ungar (weak thermal coupling) and (ii) the correcting force can be approximated by the gradient of the Fixman potential as used in statistical mechanics (strong thermal coupling). The discussion will shed some light on the question which of the two correcting potentials is more appropriate under which circumstances for molecular dynamics. In Sec.~7, we also discuss smoothing in the context of constant temperature molecular dynamics.
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  • 49
    Publication Date: 2014-02-26
    Description: We present efficient techniques for the numerical approximation of complicated dynamical behavior. In particular, we develop numerical methods which allow to approximate SBR-measures as well as (almost) cyclic behavior of a dynamical system. The methods are based on an appropriate discretization of the Frobenius-Perron operator, and two essentially different mathematical concepts are used: the idea is to combine classical convergence results for finite dimensional approximations of compact operators with results from Ergodic Theory concerning the approximation of SBR-measures by invariant measures of stochastically perturbed systems. The efficiency of the methods is illustrated by several numerical examples.
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  • 50
    Publication Date: 2014-02-26
    Description: We present Multilevel Finite Element computations for twodimensional reaction-diffusion systems modelling laminar flames. These systems are prototypes for extreme stiffness in time and space. The first of these two rather general features is accounted for by an improved control mechanism for the time step. The second one is reflected through very thin travelling reaction fronts for which we propose an anisotropic discretization by local directional refinement.
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  • 51
    Publication Date: 2014-02-26
    Description: Simplified chemical kinetic schemes are a crucial prerequisite for the simulation of complex three-dimensional turbulent flows, and various methods for the generation of reduced mechanisms have been developed in the past. The method of intrinsic low-dimensional manifolds (ILDM), e.g., provides a mathematical tool for the automatic simplification of chemical kinetics, but one problem of this method is the fact that the information which comes out of the mechanism reduction procedure has to be stored for subsequent use in reacting flow calculations. In most cases tabulation procedures are used which store the relevant data (such as reduced reaction rates) in terms of the reaction progress variables, followed by table look-up during the reacting flow calculations. This can result in huge amounts of storage needed for the multi-dimensional tabulation. In order to overcome this problem we present a storage scheme which is based on orthogonal polynomials. Instead of using small tabulation cells and local mesh refinement, the thermochemical state space is divided into a small number of coarse cells. Within these coarse cells polynomial approximations are used instead of frequently used multi-linear interpolation. This leads to a considerable decrease of needed storage. The hydrogen-oxygen system is considered as an example. Even for this small chemical system we obtain a decrease of the needed storage requirement by a factor of 100.
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  • 52
    Publication Date: 2014-02-26
    Description: The Car-Parrinello (CP) approach to ab initio molecular dynamics serves as an approximation to time-dependent Born-Oppenheimer (BO) calculations. It replaces the explicit minimization of the energy functional by a fictitious Newtonian dynamics and therefore introduces an artificial mass parameter $\mu$ which controls the electronic motion. A recent theoretical investigation shows that the CP-error, i.e., the deviation of the CP--solution from the BO-solution {\em decreases} like $\mu^{1/2}$ asymptotically. Since the computational effort {\em increases} like $\mu^{-1/2}$, the choice of $\mu$ has to find a compromise between efficiency and accuracy. The asymptotical result is used in this paper to construct an easily implemented algorithm which automatically controls $\mu$: the parameter $\mu$ is repeatedly adapted during the simulation by choosing $\mu$ as large as possible while pushing an error measure below a user-given tolerance. The performance and reliability of the algorithm is illustrated by a typical example.
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  • 53
    Publication Date: 2014-02-26
    Description: The Car-Parrinello method for ab-initio molecular dynamics avoids the explicit minimization of energy functionals given by functional density theory in the context of the quantum adiabatic approximation (time-dependent Born-Oppenheimer approximation). Instead, it introduces a fictitious classical dynamics for the electronic orbitals. For many realistic systems this concept allowed first-principle computer simulations for the first time. In this paper we study the {\em quantitative} influence of the involved parameter $\mu$, the fictitious electronic mass of the method. In particular, we prove by use of a carefully chosen two-time-scale asymptotics that the deviation of the Car-Parrinello method from the adiabatic model is of order ${\rm O}(\mu^{1/2})$ --- provided one starts in the ground state of the electronic system and the electronic excitation spectrum satisfies a certain non-degeneracy condition. Analyzing a two-level model problem we prove that our result cannot be improved in general. Finally, we show how to use the gained quantitative insight for an automatic control of the unphysical ``fake'' kinetic energy of the method.
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  • 54
    Publication Date: 2014-02-26
    Description: We consider backward error analysis of numerical approximations to ordinary differential equations, i.e., the numerical solution is formally interpreted as the exact solution of a modified differential equation. A simple recursive definition of the modified equation is stated. This recursion is used to give a new proof of the exponentially closeness of the numerical solutions and the solutions to an appropriate truncation of the modified equation. We also discuss qualitative properties of the modified equation and apply these results to the symplectic variable step-size integration of Hamiltonian systems, the conservation of adiabatic invariants, and numerical chaos associated to homoclinic orbits.
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  • 55
    Publication Date: 2014-11-02
    Description: This paper presents two Lagrangean relaxation approaches for the {\em NP}-hard multiple-depot vehicle scheduling problem in public mass transit and reports on computational investigations. Our Lagrangean relaxation approaches can be applied to generate very tight lower bounds and to compute feasible solutions efficiently. A further application is to use the Lagrangean relaxations as new pricing strategies for a delayed column generation of a branch-and-cut approach. The computational investigations are based on real-world test sets from the cities of Berlin and Hamburg having up to 25 thousand timetabled trips and 70 million dead-head trips.
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  • 56
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    Publication Date: 2015-06-01
    Description: It is well-known that by polynomial elimination methods, in particular by the computation of Gröbner bases, proofs for geometric theorems can be automatically generated. %% Several monographs On the other hand, it is much less known that Gröbner bases, in combination with rational factorization, can be even used to {\sl find} new geometric theorems. In this article such a method is described, and some new theorems on plane triangles are deduced.
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  • 57
    Publication Date: 2015-06-01
    Description: \begin{enumerate} \item[] {{\small In this article explicit formulas for the recurrence equation \[ p_{n+1}(x)=(A_n\,x+B_n)\,p_n(x)-C_n\,p_{n-1}(x) \] and the derivative rules \[ \sigma(x)\,p_n'(x)=\alpha_n\,p_{n+1}(x)+\beta_n\,p_n(x)+\gamma_n\,p_{n-1}(x) \] and \[ \sigma(x)\,p_n'(x)=(\tilde\alpha_n\,x+\tilde\beta_n)\,p_n(x)+ \tilde\gamma_n\,p_{n-1}(x) \] respectively which are valid for the orthogonal polynomial solutions $p_n(x)$ of the differential equation \[ \sigma(x)\,y''(x)+\tau(x)\,y'(x)+\lambda_n\,y(x)=0 \] of hypergeometric type are developed that depend {\sl only} on the coefficients $\sigma(x)$ and $\tau(x)$ % and $\lambda_n$ which themselves are polynomials w.r.t.\ $x$ of degrees not larger than $2$ and $1$% and $0$ , respectively. Partial solutions of this problem had been previously published by Tricomi, and recently by Y\'a\~nez, Dehesa and Nikiforov. Our formulas yield an algorithm with which it can be decided whether a given holonomic recurrence equation (i.e.\ one with polynomial coefficients) generates a family of classical orthogonal polynomials, and returns the corresponding data (density function, interval) including the standardization data in the affirmative case. In a similar way, explicit formulas for the coefficients of the recurrence equation and the difference rule \[ \sigma(x)\,\nabla p_n(x)= \alpha_n\,p_{n+1}(x)+\beta_n\,p_n(x)+\gamma_n\,p_{n-1}(x) \] of the classical orthogonal polynomials of a discrete variable are given that depend only on the coefficients $\sigma(x)$ and $\tau(x)$ of their difference equation \[ \sigma(x)\,\Delta\nabla y(x)+\tau(x)\,\Delta y(x)+\lambda_n\,y(x)=0 \;. \] Here \[ \Delta y(x)=y(x+1)-y(x) \quad\quad\mbox{and}\quad\quad \nabla y(x)=y(x)-y(x-1) \] denote the forward and backward difference operators, respectively. In particular this solves the corresponding inverse problem to find the classical discrete orthogonal polynomial solutions of a given holonomic recurrence equation. \iffalse Furthermore, an algorithmic approach to deduce these and similar properties is presented which is implementable in computer algebra, and which moreover generates relations between different standardizations of the polynomial system considered. \fi }} \end{enumerate}
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  • 58
    Publication Date: 2014-02-26
    Description: The paper addresses the possibilities of reducing the overall number of degrees of freedom in large scale reactive flow computations. Attention focusses on the dimension reduction technique ILDM due to {\sc Maas and Pope}, which treats certain automatically detected fast dynamic components as algebraic equations (so-called slow manifold). In earlier papers, the dimension of the reduction had been kept constant throughout each computation. Recently, a mathematically sound and nevertheless cheap dimension monitor for the chemistry part only has been suggested by {\sc Deuflhard and Heroth}. The present paper reports about first steps taken towards the implementation of that monitor into a flame code. Moreover, a sparse grid storage scheme is advocated and analyzed in view of the construction of efficient table look--ups for nested manifolds.
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  • 59
    Publication Date: 2020-11-13
    Description: Using the full multigrid method {\em without} any coarse grid correction steps but with an a posteriori control of the number of smoothing iterations was shown by Bornemann and Deuflhard [1996] to be an optimal iteration method with respect to the energy norm. They named this new kind of multigrid iteration the {\em cascadic multigrid method}. However, numerical examples with {\em linear} finite elements raised serious doubts whether the cascadic multigrid method can be made optimal with respect to the {\em $L^2$-norm}. In this paper we prove that the cascadic multigrid method cannot be optimal for linear finite elements and show that the case might be different for higher order elements. We present a careful analysis of the two grid variant of the cascadic multigrid method providing a setting where one can understand the methodical difference between the cascadic multigrid method and the classical multigrid $V$-cycle almost immediately. As a rule of thumb we get that whenever the cascadic multigrid works the classical multigrid will work too but not vice versa.
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  • 60
    Publication Date: 2014-02-26
    Description: An integrated time--space adaptive finite element method for solving mixed systems of nonlinear parabolic, elliptic, and differential algebraic equations is presented. The approach is independent of the spatial dimension. For the discretization in time we use singly diagonally linearly implicit Runge--Kutta methods of Rosenbrock type. Local time errors for the step size control are defined by an embedded strategy. A multilevel finite element Galerkin method is subsequently applied for the discretization in space. A posteriori estimates of local spatial discretization errors are obtained solving local problems with higher order approximation. Superconvergence arguments allow to simplify the required computations. Two different strategies to obtain the start grid of the multilevel process are compared. The devised method is applied to a solid--solid combustion problem.
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  • 61
    Publication Date: 2014-11-02
    Description: This paper investigates the solution of the linear programming (LP) relaxation of the multicommodity flow formulation of the multiple-depot vehicle scheduling problems arising in public mass transit. We develop a column generation technique that makes it possible to solve the huge linear programs that come up there. The technique, which we call {\em Lagrangean pricing}, is based on two different Lagrangean relaxations. We describe in detail the basic ingredients of our approach and give computational results for large-scale test data (with up to 70 million variables) from three German public transportation companies. Because of these results, we propose Lagrangean pricing as one of the basic ingredients of an effective method to solve multiple-depot vehicle scheduling problems to proven optimality.
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  • 62
    Publication Date: 2019-01-29
    Description: The finite element setting for nonlinear elliptic PDEs directly leads to the minimization of convex functionals. Uniform ellipticity of the underlying PDE shows up as strict convexity of the arising nonlinear functional. The paper analyzes computational variants of Newton's method for convex optimization in an affine conjugate setting, which reflects the appropriate affine transformation behavior for this class of problems. First, an affine conjugate Newton--Mysovskikh type theorem on the local quadratic convergence of the exact Newton method in Hilbert spaces is given. It can be easily extended to inexact Newton methods, where the inner iteration is only approximately solved. For fixed finite dimension, a special implementation of a Newton--PCG algorithm is worked out. In this case, the suggested monitor for the inner iteration guarantees quadratic convergence of the outer iteration. In infinite dimensional problems, the PCG method may be just formally replaced by any Galerkin method such as FEM for linear elliptic problems. Instead of the algebraic inner iteration errors we now have to control the FE discretization errors, which is a standard task performed within any adaptive multilevel method. A careful study of the information gain per computational effort leads to the result that the quadratic convergence mode of the Newton--Galerkin algorithm is the best mode for the fixed dimensional case, whereas for an adaptive variable dimensional code a special linear convergence mode of the algorithm is definitely preferable. The theoretical results are then illustrated by numerical experiments with a {\sf NEWTON--KASKADE} algorithm.
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  • 63
    Publication Date: 2014-02-26
    Description: {\footnotesize In classical Molecular Dynamics a molecular system is modelled by classical Hamiltonian equations of motion. The potential part of the corresponding energy function of the system includes contributions of several types of atomic interaction. Among these, some interactions represent the bond structure of the molecule. Particularly these interactions lead to extremely stiff potentials which force the solution of the equations of motion to oscillate on a very small time scale. There is a strong need for eliminating the smallest time scales because they are a severe restriction for numerical long-term simulations of macromolecules. This leads to the idea of just freezing the high frequency degrees of freedom (bond stretching and bond angles) via increasing the stiffness of the strong part of the potential to infinity. However, the naive way of doing this via holonomic constraints mistakenly ignores the energy contribution of the fast oscillations. The paper presents a mathematically rigorous discussion of the limit situation of infinite stiffness. It is demonstrated that the average of the limit solution indeed obeys a constrained Hamiltonian system but with a {\em corrected soft potential}. An explicit formula for the additive potential correction is given via a careful inspection of the limit energy of the fast oscillations. Unfortunately, the theory is valid only as long as the system does not run into certain resonances of the fast motions. Behind those resonances, there is no unique limit solution but a kind of choatic scenario for which the notion ``Takens chaos'' was coined. For demonstrating the relevance of this observation for MD, the theory is applied to a realistic, but still simple system: a single butan molecule. The appearance of ``Takens chaos'' in smoothed MD is illustrated and the consequences are discussed.}
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  • 64
    Publication Date: 2014-02-26
    Description: Recently subdivision techniques have been introduced in the numerical investigation of complicated temporal behavior of dynamical systems. In this article we intertwine the subdivision process with the computation of invariant measures and propose an adaptive scheme for the box refinement which is based on the combination of these methods. Using this new algorithm the numerical effort for the computation of box coverings is in general significantly reduced, and we illustrate this fact by several numerical examples.
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  • 65
    Publication Date: 2020-02-11
    Description: In this paper we present the implementation of a branch-and-cut algorithm for solving Steiner tree problems in graphs. Our algorithm is based on an integer programming formulation for directed graphs and comprises preprocessing, separation algorithms and primal heuristics. We are able to solve all problem instances discussed in literature to optimality, including one to our knowledge not yet solved problem. We also report on our computational experiences with some very large Steiner tree problems arising from the design of electronic circuits. All test problems are gathered in a newly introduced library called {\em SteinLib} that is accessible via World Wide Web.
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  • 66
    Publication Date: 2014-02-26
    Description: In the highly competitive area of telecommunications, cost, quality, and network management are among the most important aspects to be considered when designing a network. We study the problem of dimensioning a telecommunication network that is still operating in case of a failure of a network component. Given a demand between each pair of nodes of a telecommunication network and a finite set of possible capacities for each edge of the network, we consider the problem of deciding what capacity to install on each edge of the network in order to minimize the building cost of the network and to satisfy the demand between each pair of nodes, even if a network component fails. The routing of the demands must satisfy the following additional restrictions: (a) there is a maximum number of nodes allowed in each path between any pair of nodes (path length restriction), and (b) there is a maximum percentage of the demand between each pair of nodes that can be routed through any network component (diversification restriction). Moreover, the chosen capacities must be such that, for every single node or single edge failure, a certain percentage of the demand between any pair of nodes is reroutable (i.e. it ``survives'' the particular failure). We formulate the problem as a mixed integer linear programming problem and present a cutting plane algorithm as well as several heuristics for its solution. Furthermore, we discuss several ways to implement survivability into a telecommunication network.
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  • 67
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    Publication Date: 2014-02-26
    Description: A perfect graph is critical if the deletion of any edge results in an imperfect graph. We give examples of such graphs and prove some basic properties. We investigate the relationship of critically perfect graphs to well-known classes of perfect graphs and study operations preserving critical perfectness.
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  • 68
    Publication Date: 2014-02-26
    Description: Designing low cost networks that survive certain failure situations belongs to one of the prime tasks in the telecommunications industry. In this paper we describe a mathematical model combining several aspects of survivability that are elsewhere treated in a hierarchical fashion. We present mathematical investigations of this integrated model, a cutting plane algorithm, as well as several heuristics for its solution. Moreover, we report computational results with real world data. The problem we address is the following. Suppose, between each pair of nodes in a region, a communication demand is given. We want to determine the topology of a telecommunication network connecting the given nodes and to dimension all potential physical links. For each link, the possible capacities are restricted to a given finite set. The capacities must be chosen such that the communication demands are satisfied, even if certain network components fail, and such that the network building costs are as small as possible. Moreover, for each pair of nodes and each failure situation, we want to determine the paths on which the demand between the nodes is routed.
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  • 69
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    Publication Date: 2015-06-01
    Description: In this note we solve a problem about the rational representability of hypergeometric terms which represent hypergeometric sums. This problem was proposed by Koornwinder in Koornwinder, T. H.: Hypergeometric series evaluation by Zeilberger's algorithm. In: Open Problems, ed. by Walter van Assche. J. of Comput. and Appl. Math.48, 1993, 225--243.
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  • 70
    Publication Date: 2015-06-01
    Description: In many applications (hypergeometric-type) special functions like orthogonal polynomials are needed. For example in more than 50 \% of the published solutions for the (application-oriented) questions in the Problems Section'' of SIAM Review special functions occur. In this article the Mathematica package {\tt SpecialFunctions} which can be obtained from the URL {\tt http://www.zib.de/koepf} is introduced. Algorithms to convert between power series representations and their generating functions is the main topic of this package, extending the previous package {\tt PowerSeries}. Moreover the package automatically finds differential and recurrence equations for expressions and for sums (the latter using Zeilberger's algorithm. As an application the fast computation of polynomial approximations of solutions of linear differential equations with polynomial coefficients is presented. This is the asymptotically fastest known algorithm for series computations, and it is much faster than Mathematica's builtin {\tt Series} command if applicable. Many more applications are considered. Finally the package includes implementations supporting the efficient computation of classical continuous and discrete orthogonal polynomials.
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  • 71
    Publication Date: 2014-02-26
    Description: A widely used approach for the computation of time-harmonic electromagnetic fields is based on the well-known double-curl equation for either $\vec E$ or $\vec H$. An appealing choice for finite element discretizations are edge elements, the lowest order variant of a $H(curl)$-conforming basis. However, the large nullspace of the curl-operator gives rise to serious drawbacks. It comprises a considerable part of all spectral modes on the finite element grid, polluting the solution with non-physical contributions and causing the deterioration of standard iterative solvers. We tackle these problems by a nested multilevel algorithm. After every V-cycle in the $H(curl)$-conforming basis, the non-physical contributions are removed by a projection scheme. It requires the solution of Poisson's equation in the nullspace, which can be carried out efficiently by another multilevel iteration. The whole procedure yields convergence rates independent of the refinement level of the mesh. Numerical examples demonstrate the efficiency of the method.
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  • 72
    Publication Date: 2020-03-09
    Description: After a short summary on therapy planning and the underlying technologies we discuss quantitative medicine by giving a short overview on medical image data, summarizing some applications of computer based treatment planning, and outlining requirements on medical planning systems. Then we continue with a description of our medical planning system {\sf HyperPlan}. It supports typical working steps in therapy planning, like data aquisition, segmentation, grid generation, numerical simulation and optimization, accompanying these with powerful visualization and interaction techniques.
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  • 73
    Publication Date: 2014-11-11
    Description: We consider a single server system consisting of $n$ queues with different types of customers and $k$ permanent customers. The permanent customers and those at the head of the queues are served in processor-sharing by the service facility (head-of-the-line processor-sharing). By means of Loynes' monotonicity method a stationary work load process is constructed and using sample path analysis general stability conditions are derived. They allow to decide which queues are stable and moreover to compute the fraction of processor capacity devoted to the permanent customers. In case of a stable system the constructed stationary state process is the only one and for any initial state the system converges pathwise to the steady state.
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  • 74
    Publication Date: 2014-02-26
    Description: For the simulation of one-dimensional flame configurations reliabl e numerical tools are needed which have to be both highly efficient (large num ber of parametric calculations) and at the same time accurate (in order t o avoid numerical errors). This can only be accomplished using fully adapt ive discretization techniques both in space and time together with a c ontrol of the discretization error. We present a method which accomplishes this task. It is based on a n adative MOL (method of lines) treatment. Space discretization is done by means of finite difference approxi mations on non-uniform grids. Time is discretized by the linearly-implicit Euler method. In order to control the discretization errors an extrapolation pro cedure is used in space and time. Results are presented for simple laser-induced ignition processes. The method, however, can be applied to other combustion processes, too.
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  • 75
    Publication Date: 2020-08-05
    Description: The present dissertation deals with the structure of polyhedral subdivisions of point configurations. Of particular interest are the global properties of the set of all subdivisions of a given point configuration. An important open problem in this context is the following: can one always transform any triangulation of a given point configuration to any other triangulation of the same configuration by means of bistellar operations? In other words, is the set of all triangulations of a given point configuration always bistellarly connected? The results presented in this thesis contribute progress from two directions. \begin{itemize} \item The set of all subdivisions that are induced by a polytope projection is in general not bistellarly connected in a generalized sense. This result is obtained by constructing a counterexample to the so-called Generalized Baues Conjecture.'' \item The set of all triangulations of a cyclic polytope forms a bounded poset. The covering relations are given by increasing bistellar operations. Thus we get an affirmative answer to the above question in the case of cyclic polytopes. \end{itemize} In the introduction, the mathematical environment of the structures under consideration is illuminated. The "Generalized Baues Conjecture" has connections to various mathematical concepts, such as combinatorial models for loop spaces, discriminants of polynomials in several variables, etc. The triangulation posets of cyclic polytopes are natural generalizations of the well-studied Tamari lattices in order theory. Moreover, there is a connection to the higher Bruhat orders, which have similar structural properties. As a by-product, the investigations yield the shellability of all triangulations of cyclic polytopes without new vertices. This is in particular interesting because most triangulations of cyclic polytopes are non-regular.
    Description: Die vorliegende Dissertation beschäftigt sich mit strukturellen Fragen in der Theorie der polyedrischen Unterteilungen von Punktkonfigurationen. Hierbei sind vor allem globale Eigenschaften der Menge aller Unterteilungen einer gegebenen Punktkonfiguration von Interesse. Eine wichtige ungelöste Frage in diesem Zusammenhang ist die folgende: Ist es immer möglich, von einer beliebigen Triangulierung einer gegebenen Punktkonfiguration zu jeder anderen Triangulierung derselben Konfiguration zu gelangen, indem man sogenannte bistellare Operationen durchführt? Mit anderen Worten, ist die Menge aller Triangulierungen einer gegebenen Punktkonfiguration stets bistellar zusammenhängend? Die Ergebnisse der vorliegenden Doktorarbeit liefern auf zwei Seiten dieser nach wie vor offenen Frage Fortschritte: \begin{itemize} \item Die Menge aller durch eine Polytopprojektion induzierten Unterteilungen ist nicht immer --- in einem verallgemeinerten Sinne --- bistellar zusammenhängend. Dieses Resultat wird durch ein Gegenbeispiel zur sogenannten "Verallgemeinerten Baues Vermutung"' erzielt. \item Die Menge aller Triangulierungen eines zyklischen Polytops bildet eine beschränkte Halbordnung. Die Ueberdeckungsrelationen sind gerichtete bistellare Operationen. Für zyklische Polytope ist die obige Frage nach bistellarem Zusammenhang also positiv beantwortet. \end{itemize} In der Einleitung wird das mathematische Umfeld der betrachteten Strukturen näher beleuchtet: Die "Verallgemeinerte Baues Vermutung" steht in Verbindung mit verschiedensten mathematischen Konzepten, angefangen von kombinatorischen Modellen von Schleifenräumen bis hin zu Diskriminanten von Polynomen in mehreren Variablen. Die Triangulierungs-Halbordnungen von zyklischen Polytopen sind zugleich natürliche Verallgemeinerungen der gut studierten Tamari-Verbände in der Ordnungstheorie. Ausserdem existiert ein Zusammenhang mit den höheren Bruhat-Ordnungen, die ähnliche Struktureigenschaften aufweisen. Ein Nebenprodukt der Untersuchungen ist die Schälbarkeit aller Triangulierungen von zyklischen Polytopen ohne neue Ecken. Das ist um so interessanter, da die meisten Triangulierungen von zyklischen Polytopen nicht-regulär sind.
    Keywords: ddc:510
    Language: English
    Type: doctoralthesis , doc-type:doctoralThesis
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  • 76
    Publication Date: 2021-03-16
    Language: English
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  • 77
    Publication Date: 2019-01-29
    Description: The paper deals with the multilevel solution of {\em elliptic} partial differential equations (PDEs) in a {\em finite element} setting: {\em uniform ellipticity} of the PDE then goes with {\em strict monotonicity} of the derivative of a nonlinear convex functional. A {\em Newton multigrid method} is advocated, wherein {\em linear residuals} are evaluated within the multigrid method for the computation of the Newton corrections. The globalization is performed by some {\em damping} of the ordinary Newton corrections. The convergence results and the algorithm may be regarded as an extension of those for local Newton methods presented recently by the authors. An {\em affine conjugate} global convergence theory is given, which covers both the {\em exact} Newton method (neglecting the occurrence of approximation errors) and {\em inexact} Newton--Galerkin methods addressing the crucial issue of accuracy matching between discretization and iteration errors. The obtained theoretical results are directly applied for the construction of adaptive algorithms. Finally, illustrative numerical experiments with a~{\sf NEWTON--KASKADE} code are documented.
    Keywords: ddc:000
    Language: English
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  • 78
    Publication Date: 2014-02-26
    Description: This paper is about algorithmic invariant theory as it is required within equivariant dynamical systems. The question of generic bifurcation equations requires the knowledge of fundamental invariants and equivariants. We discuss computations which are related to this for finite groups and semisimple Lie groups. We consider questions such as the completeness of invariants and equivariants. Efficient computations are gained by the Hilbert series driven Buchberger algorithm. Applications such as orbit space reduction are presented.
    Keywords: ddc:000
    Language: English
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  • 79
    Publication Date: 2014-02-26
    Description: Preprocessing in two-stage stochastic programming is considered from the viewpoint of Fourier-Motzkin elimination. Although of exponential complexity in general, Fourier-Motzkin elimination is shown to provide valuable insights into specific topics such as solving integer recourse stochastic programs or verifying stability conditions. Test runs with the computer code PORTA [1994] are reported.
    Keywords: ddc:000
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  • 80
    Publication Date: 2014-02-26
    Description: The standard technique of reduced cost fixing from linear programming is not trivially extensible to semidefinite relaxations as the corresponding Lagrange multipliers are usually not available. We propose a general technique for computing reasonable Lagrange multipliers to constraints which are not part of the problem description. Its specialization to the semidefinite $\left\{-1,1\right\}$ relaxation of quadratic 0-1 programming yields an efficient routine for fixing variables. The routine offers the possibility to exploit problem structure. We extend the traditional bijective map between $\left\{0,1\right\}$ and $\left\{-1,1\right\}$ formulations to the constraints such that the dual variables remain the same and structural properties are preserved. In consequence the fixing routine can efficiently be applied to optimal solutions of the semidefinite $\left\{0,1\right\}$ relaxation of constrained quadratic 0-1 programming, as well. We provide numerical results showing the efficacy of the approach.
    Keywords: ddc:000
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  • 81
    Publication Date: 2022-07-07
    Description: We present a general technique for constructing nonlocal transparent boundary conditions for one-dimensional Schrödinger-type equations. Our method supplies boundary conditions for the $\theta$-family of implicit one-step discretizations of Schrödinger's equation in time. The use of Mikusi\'nski's operator approach in time avoids direct and inverse transforms between time and frequency domains and thus implements the boundary conditions in a direct manner.
    Keywords: ddc:000
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  • 82
    Publication Date: 2022-07-07
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    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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  • 91
    Publication Date: 2022-07-19
    Language: English
    Type: masterthesis , doc-type:masterThesis
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  • 92
    Publication Date: 2022-07-19
    Language: English
    Type: masterthesis , doc-type:masterThesis
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  • 93
    Publication Date: 2022-07-19
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  • 94
    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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    Publication Date: 2022-07-19
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