TY - GEN A1 - Oevermann, Michael A1 - Scharfenberg, Carsten A1 - Klein, Rupert T1 - A sharp interface finite volume method for elliptic equations on Cartesian grids N2 - We present a second order sharp interface finite volume method for the solution of the three-dimensional poisson equation with variable coefficients on Cartesian grids. In particular, we focus on interface problems with discontinuities in the coefficient, the source term, the solution, and the fluxes across the interface. The method uses standard piecewiese trilinear finite elements for normal cells and a double piecewise trilinear ansatz for the solution on cells intersected by the interface resulting always in a compact 27-point stencil. Singularities associated with vanishing partial volumes of intersected grid cells are removed by a two-term asymptotic approach. In contrast to the 2D method presented by two of the authors in [M.~Oevermann, R.~Klein: A Cartesian grid finite volume method for elliptic equations with variable coefficients and embedded interfaces, J.~Comp.~Phys.~219 (2006)] we use a minimization technique to determine the unknown coefficients of the double trilinear ansatz. This simplifies the treatment of the different cut-cell types and avoids additional special operations for degenerated interface topologies. The resulting set of linear equations has been solved with a BiCGSTAB solver preconditioned with an algebraic multigrid. In various testcases -- including large coefficient ratios and non-smooth interfaces -- the method achieves second order of accuracy in the L_inf and L_2 norm. T3 - ZIB-Report - 08-38 KW - elliptische Gleichungen KW - Finite Volumen KW - eingebettete Ränder KW - variable und diskontinuierliche Koeffizienten KW - diskontinuierliche Lösung KW - Elliptic equations KW - finite volume methods KW - embedded interface KW - variable and discontinuous coefficients KW - discontinuous solution Y1 - 2008 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-10900 SN - 1438-0064 ER - TY - GEN T1 - Jahresbericht 2009 T1 - Annual 2009 T3 - Jahresbericht - 2009 KW - Annual Report Y1 - 2010 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-11814 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2010 T1 - Annual 2010 T3 - Jahresbericht - 2010 KW - Annual Report Y1 - 2011 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-13165 ER - TY - GEN A1 - Schädle, Achim A1 - Zschiedrich, Lin T1 - Additive Schwarz method for scattering problems using the PML method at interfaces N2 - Scattering problems in integrated optics can be modeled in simple cases by the Helmholtz equation. The computational domain is truncated by a non-reflecting boundary condition. We investigate Schwarz algorithms with a sort of DtN operator, realized by the PML-method, at the interfaces of the sub-domains as an iterative solver. T3 - ZIB-Report - 05-27 KW - perfectly matched layer KW - Helmholtz equation KW - scattering KW - domain decomposition Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8613 ER - TY - GEN A1 - Achterberg, Tobias A1 - Koch, Thorsten A1 - Martin, Alexander T1 - MIPLIB 2003 N2 - This paper reports on the fourth version of the Mixed Integer Programming Library. Since ({\sc miplib}) is to provide a concise set of challenging problems, it became necessary to purge instances that became too easy. We present an overview of the 27 new problems and statistical data for all 60 instances. T3 - ZIB-Report - 05-28 KW - Mathematical Programming KW - Mixed Integer Programming KW - IP KW - MIP KW - Optimization KW - Instances Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8625 ER - TY - GEN A1 - Boev, Ivan A1 - Hodoroaba, Lavinia A1 - Imhof, Andres T1 - Der KOBV-Metadaten-Austausch-Parser (KMA-Parser): Ein Werkzeug für Metadata-Sharing N2 - \\ Zusammenfassung: Der Kooperative Bibliotheksverbund Berlin-Brandenburg (KOBV) betreibt für das KOBV-Portal einen Austausch von Beschreibungen zu elektronischen Ressourcen (Metadaten), der zwisc zwischen verschiedenen Informationsportalen in der Region durchgeführt wird. Die unterschiedlichen Informationsportale verwenden verschiedene Metadaten-Schemata und Austausch-Formate für ihre Ressourcebeschreibungen. Um die Heterogenität der Metadaten zu überwinden, wurde der KOBV-Metadaten-Austausch-Parser (KMA-Parser) entwickelt. Andere Metadaten-Schemata werden auf das KOBV-Metadaten-Schema abgebildet. Der KMA-Parser führt gegebenenfalls eine Format-Transformation durch, konvertiert die Inhalte einzelner Elemente über Konkordanzen und erzeugt neue Metadaten-Elemente aus vorhandenen Feldern. Er validiert den Inhalt auf Vollständigkeit und steuert den Austausch der Metadaten zwischen den Portalen. Der Umwandlungsprozess funktioniert jedoch nicht nur in die Richtung des KOBV-Portals, sondern auch in die entgegengesetzte Richtung. Der Artikel beschreibt die einzelnen Vorgänge im KMA-Parser und schildert die Erfahrungen im Umgang mit der Heterogenität von Metadaten. Die gewonnenen Erfahrungen verweisen auf grundlegende Perspektiven in der universellen Zusammenarbeit von Informationsanbietern und -providern.The Kooperativer Bibliotheksverbund Berlin-Brandenburg (KOBV) has built a framework for a bi-directional exchange workflow of electronic resourcesÆ descriptions (metadata) between the KOBV Portal and other Information Portals in the region. The Information Portals use different exchange formats, metadata schemata and controlled vocabularies for their descriptions of resources. In order to overcome this metadata heterogeneity, an application, the KOBV Metadata Exchange Parser (KMA-Parser), has been developed. The KMA-Parser maps the local portalsÆ metadata schemata into the metadata schema of the KOBV Portal. If necessary, it transforms the exchange format, converts contents of individual elements by means roduces new metadata elements on the basis of existent elements. It checks elementsÆ contents on completeness and controls the metadata exchange between the portals. However, the transformation process takes place not only towards the KOBV Portal, but al so vice versa. The article describes the individual processes in the KMA Parser and depicts the experiences in handling the metadataÆs heterogeneity. The experiences gathered give an idea of the prospects for a universal cooperation between information suppliers and providers. T3 - ZIB-Report - 05-29 KW - KOBV-Portal KW - Metadata-Sharing KW - Metadaten-Austausch KW - Vernetzung von Portalen Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8636 ER - TY - GEN A1 - Burgschweiger, Jens A1 - Gnädig, Bernd A1 - Steinbach, Marc T1 - Nonlinear Programming Techniques for Operative Planning in Large Drinking Water Networks N2 - Mathematical decision support for operative planning in water supply systems is highly desirable but leads to very difficult optimization problems. We propose a nonlinear programming approach that yields practically satisfactory operating schedules in acceptable computing time even for large networks. Based on a carefully designed model supporting gradient-based optimization algorithms, this approach employs a special initialization strategy for convergence acceleration, special minimum up and down time constraints together with pump aggregation to handle switching decisions, and several network reduction techniques for further speed-up. Results for selected application scenarios at Berliner Wasserbetriebe demonstrate the success of the approach. T3 - ZIB-Report - 05-31 KW - Water supply KW - large-scale nonlinear programming KW - convergence enhancement KW - discrete decisions KW - network reduction Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8657 ER - TY - GEN A1 - Burgschweiger, Jens A1 - Gnädig, Bernd A1 - Steinbach, Marc T1 - Optimierte Tagesplanung im Berliner Trinkwassernetz N2 - Der Artikel beschreibt ein mathematisches Optimierungssystem zur Betriebsplanung in großen Wassernetzen, das bei den Berliner Wasserbetrieben eingesetzt wird. Für das Berliner Versorgungsnetz werden Optimierungsergebnisse vorgestellt. T3 - ZIB-Report - 05-32 KW - Trinkwasserversorgung KW - kostenminimale Betriebsplanung KW - nichtlineare Optimierung KW - diskrete Entscheidungen Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8668 ER - TY - GEN A1 - Hildebrandt, Klaus A1 - Polthier, Konrad A1 - Preuß, Eike T1 - Evolution of 3d Curves under Strict Spatial Constraints N2 - We present a new algorithm for fairing of space curves with respect spatial constraints based on a vector valued curvature function. Smoothing with the vector valued curvature function is superior to standard Frenet techniques since the individual scalar components can be modeled similar to curvature-based curve smoothing techniques in 2d. This paper describes a curve smoothing flow that satisfies strict spatial constraints and allows simultaneous control of both curvature functions. T3 - ZIB-Report - 05-33 KW - curve fairing KW - curve smoothing KW - curvature smoothing flow Y1 - 2005 N1 - kein Volltext, Artikel ist in Verlagspublikation erschienen, der Preprint wurde offensichtlich vor längerer Zeit zurückgezogen (keine urn). Kossick 20. 11. 13 ER - TY - GEN A1 - Kuberek, Monika A1 - Radu, Raluca T1 - Online-Fernleihe im KOBV - Handbuch für Bibliotheken N2 - \documentclass[12pt]{article} \usepackage{german} \parindent=0pt \begin{document} Im KOBV wird für die Online-Fernleihe der Zentrale-Fernleihserver (ZFL-Server) der Firma Sisis eingesetzt. Die Software ist in der KOBV-Zentrale installiert. Der ZFL-Server dient im KOBV sowohl für die Bestellung von Monographien als auch für die Bestellung von Aufsatzkopien aus Zeitschriften. Prinzipiell gibt es zwei Verfahren, mit denen sich Bibliotheken an der Online-Fernleihe beteiligen können: das E-Mail-Verfahren und das SLNP-Verfahren. Auf beide wird im Handbuch eingegangen. Die Online-Fernleihe wurde im KOBV eingeführt, um die Fernleihe für die Benutzer zu beschleunigen, das Verfahren für die Bibliotheksmitarbeiter zu vereinfachen und den Arbeitsaufwand zu reduzieren. Sie basiert darauf, dass eine Bestellung anhand eines gefundenen Treffers ausgelöst wird - d.h. die bibliographischen Daten sind bereits verifiziert und in einem Katalog nachgewiesen. Anschlie\"send werden die Fernleihbestellungen über den ZFL-Server automatisch ausgeführt und verwaltet - sowohl in der regionalen KOBV-Fernleihe als auch in der verbundübergreifenden Fernleihe mit den deutschen Bibliotheksverbünden. Der ZFL-Server besteht aus verschiedenen technischen Komponenten. Eine dieser Komponenten ist das Bibliothekskonto, eine Internetanwendung, in der die Bestellverwaltung des ZFL-Servers im Internet für die Bibliotheksbediensteten transparent gemacht wird. Sowohl für die aktive als auch für die passive Fernleihe ist im Bibliothekskonto der Status der Bearbeitung zu jedem Zeitpunkt ersichtlich, z.B. in welcher Bibliothek sich die Bestellung gerade befindet, wann sie dort eingegangen ist und wann sie weggeschickt wurde, ob mit positivem oder negativem Ergebnis. Das Bibliothekskonto ist damit für die Bibliothek ein komfortables Instrument zum Überwachen der Fernleihbestellungen, in dem sie zudem - falls notwendig - in den Bestellvorgang eingreifen kann. Dazu hat jede Bibliothek im Bibliothekskonto eine eigene, Passwort-geschützte Dienstoberfläche. Das vorliegende Handbuch beschreibt die Vorgänge der Bestellverwaltung im Bibliothekskonto. Es richtet sich an Bibliotheksmitarbeiter, die sich mit den einzelnen Arbeitsschritten der Online-Fernleihe vertraut machen wollen. Darüber hinaus ist es zum Nachschlagen gedacht, wenn sich in der täglichen Arbeit Unklarheiten ergeben. \end{document} T3 - ZIB-Report - 05-34 KW - Bibliotheksverbund KW - KOBV KW - KOBV-Fernleihe KW - Kooperativer Bibliotheksverbund Berlin-Brandenburg KW - Online-Fernleihe KW - Verbundübergreifende Fernleihe Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8681 ER - TY - GEN A1 - Pfetsch, Marc A1 - Borndörfer, Ralf T1 - Routing in Line Planning for Public Transportation N2 - The line planning problem is one of the fundamental problems in strategic planning of public and rail transport. It consists in finding lines and corresponding frequencies in a network such that a giv en demand can be satisfied. There are two objectives. Passengers want to minimize travel times, the transport company wishes to minimize operating costs. We investigate three variants of a multi-commo dity flow model for line planning that differ with respect to passenger routings. The first model allows arbitrary routings, the second only unsplittable routings, and the third only shortest path rou tings with respect to the network. We compare these models theoretically and computationally on data for the city of Potsdam. T3 - ZIB-Report - 05-36 KW - line planning KW - column generation KW - passenger routing Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8706 ER - TY - GEN T1 - Jahresbericht 1996 T3 - Jahresbericht - 1996 KW - Annual Report Y1 - 1997 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9712 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 1997 T3 - Jahresbericht - 1997 KW - Annual Report Y1 - 1998 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9722 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 1998 T3 - Jahresbericht - 1998 KW - Annual Report Y1 - 1999 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9731 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 1999 T3 - Jahresbericht - 1999 KW - Annual Report Y1 - 2000 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9749 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2000 T3 - Jahresbericht - 2000 KW - Annual Report Y1 - 2001 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9751 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2001 T3 - Jahresbericht - 2001 KW - Annual Report Y1 - 2002 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9764 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2002 T3 - Jahresbericht - 2002 KW - Annual Report Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9776 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2003 T3 - Jahresbericht - 2003 KW - Annual Report Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9781 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2004 T3 - Jahresbericht - 2004 KW - Annual Report Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9799 SN - 0934-5892 ER - TY - GEN T1 - Jahresbericht 2005 T3 - Jahresbericht - 2005 KW - Annual Report Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9804 SN - 0934-5892 ER - TY - GEN A1 - Steinbach, Marc T1 - On PDE Solution in Transient Optimization of Gas Networks N2 - Operative planning in gas distribution networks leads to large-scale mixed-integer optimization problems involving a hyperbolic PDE defined on a graph. We consider the NLP obtained under prescribed combinatorial decisions---or as relaxation in a branch and bound framework, addressing in particular the KKT systems arising in primal-dual interior methods. We propose a custom solution algorithm using sparse local projections, based on the KKT systems' structual properties induced by the discretized gas flow equations in combination with the underlying network topology. The numerical efficiency and accuracy of the algorithm are investigated, and detailed computational comparisons with a control space method and with the multifrontal solver MA27 are provided. T3 - ZIB-Report - 04-46 KW - Gas network KW - operative planning KW - PDE constrained optimization KW - KKT system factorization KW - sparse projection method Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8215 ER - TY - GEN A1 - Prüfert, Uwe A1 - Tröltzsch, Fredi A1 - Weiser, Martin T1 - The convergence of an interior point method for an elliptic control problem with mixed control-state constraints N2 - The paper addresses primal interior point method for state constrained PDE optimal control problems. By a Lavrentiev regularization, the state constraint is transformed to a mixed control-state constraint with bounded Lagrange multiplier. Existence and convergence of the central path are established, and linear convergence of a short-step pathfollowing method is shown. The behaviour of the regularizations are demonstrated by numerical examples. T3 - ZIB-Report - 04-47 KW - interior point methods in function space KW - optimal control KW - mixed control-state constraints KW - Lavrentiev regularization Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8223 ER - TY - GEN A1 - Burgschweiger, Jens A1 - Gnädig, Bernd A1 - Steinbach, Marc T1 - Optimization Models for Operative Planning in Drinking Water Networks N2 - The topic of this paper is minimum cost operative planning of pressurized water supply networks over a finite horizon and under reliable demand forecast. Since this is a very hard problem, it is desirable to employ sophisticated mathematical algorithms, which in turn calls for carefully designed models with suitable properties. The paper develops a nonlinear mixed integer model and a nonlinear programming model with favorable properties for gradient-based optimization methods, based on smooth component models for the network elements. In combination with further nonlinear programming techniques (to be reported elsewhere), practically satisfactory near-optimum solutions even for large networks can be generated in acceptable time using standard optimization software on a PC workstation. Such an optimization system is in operation at Berliner Wasserbetriebe. T3 - ZIB-Report - 04-48 KW - Drinking water supply KW - distribution network KW - minimum cost operative planning KW - continuous time model KW - mixed integer model KW - nonlinear programming m Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8237 ER - TY - GEN A1 - Orlowski, Sebastian A1 - Wessäly, Roland T1 - An Integer Programming Model for Multi-Layer Network Design N2 - We present an integer linear programming model for the design of multi-layer telecommunication networks. The formulation integrates hardware, capacity, routing, and grooming decisions in \emph{any} n umber of network layers. Practical hardware restrictions and cost can accurately be taken into account for technologies based on connection-oriented routing protocols. T3 - ZIB-Report - 04-49 KW - multi-layer networks KW - integer programming KW - network design KW - routing KW - grooming Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8248 ER - TY - GEN A1 - Hochmuth, Reinhard T1 - Homogenization for a Nonlocal Coupling Model N2 - In [7,8,12] homogenization techniques are applied to derive an anisotropic variant of the bio-heat transfer equation as asymptotic result of boundary value problems providing a microscopic description for microvascular tissue. In view of a future application on treatment planning in hyperthermia, we investigate here the homogenization limit for a coupling model, which takes additionally into account the influence of convective heat transfer in medium size blood vessels. This leads to second order elliptic boundary value problems with nonlocal boundary conditions on parts of the boundary. Moreover, we present asymptotic estimates for first order correctors. T3 - ZIB-Report - 04-50 KW - Homogenization KW - nonlocal boundary conditions KW - Robin boundary conditions KW - correctos KW - heat transfer KW - bio-heat equation KW - hyperthermia Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8251 ER - TY - GEN A1 - Baumeister, Timm A1 - Cordes, Frank T1 - A new Model for the Free Energy of Solvation and its Application in Protein Ligand Scoring N2 - A new and time efficient model to evaluate the free energy of solvation has been developed. The solvation free energy is separated into an electrostatic term, a hydrogen bond term, and a rest-term, combining both entropic and van der Waals effects. The electrostatic contribution is evaluated with a simplified boundary element method using the partial charges of the MMFF94 force field. The number of hydrogen bonds and the solvent excluded surface area over the surface atoms are used in a linear model to estimate the non-electrostatic contribution. This model is applied to a set of 213 small and mostly organic molecules, yielding an rmsd of 0.87kcal/mol and a correlation with experimental data of r=0.951. The model is applied as a supplementary component of the free energy of binding to estimate binding constants of protein ligand complexes. The intermolecular interaction energy is evaluated by using the MMFF94 force field. T3 - ZIB-Report - 04-51 KW - scoring KW - solvation KW - free energy Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8265 ER - TY - GEN A1 - Baum, Daniel T1 - Multiple Semi-flexible 3D Superposition of Drug-sized Molecules N2 - In this paper we describe a new algorithm for multiple semi-flexible superpositioning of drug-sized molecules. The algorithm identifies structural similarities of two or more molecules. When comparing a set of molecules on the basis of their three-dimensional structures, one is faced with two main problems. (1) Molecular structures are not fixed but flexible, i.e., a molecule adopts different forms. To address this problem, we consider a set of conformers per molecule. As conformers we use representatives of conformational ensembles, generated by the program ZIBMol. (2) The degree of similarity may vary considerably among the molecules. This problem is addressed by searching for similar substructures present in arbitrary subsets of the given set of molecules. The algorithm requires to preselect a reference molecule. All molecules are compared to this reference molecule. For this pairwise comparison we use a two-step approach. Clique detection on the correspondence graph of the molecular structures is used to generate start transformations, which are then iteratively improved to compute large common substructures. The results of the pairwise comparisons are efficiently merged using binary matching trees. All common substructures that were found, whether they are common to all or only a few molecules, are ranked according to different criteria, such as number of molecules containing the substructure, size of substructure, and geometric fit. For evaluating the geometric fit, we extend a known scoring function by introducing weights which allow to favor potential pharmacophore points. Despite considering the full atomic information for identifying multiple structural similarities, our algorithm is quite fast. Thus it is well suited as an interactive tool for the exploration of structural similarities of drug-sized molecules. T3 - ZIB-Report - 04-52 KW - pharmaceutical drug design KW - multiple superposition KW - semi-flexible alignment KW - clique detection KW - iterative closest point KW - matching tree Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8278 ER - TY - GEN A1 - Bosse, Hartwig A1 - Grötschel, Martin A1 - Henk, Martin T1 - Polynomial Inequalities Representing Polyhedra N2 - Our main result is that every $n$-dimensional polytope can be described by at most $2n-1$ polynomial inequalities and, moreover, these polynomials can explicitly be constructed. For an $n$-dimensional pointed polyhedral cone we prove the bound $2n-2$ and for arbitrary polyhedra we get a constructible representation by $2n$ polynomial inequalities. T3 - ZIB-Report - 04-53 KW - polyhedra and polytopes KW - semi-algebraic sets KW - polyhedral combinatorics KW - polynomial inequalities KW - stability index Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8284 ER - TY - GEN A1 - Hodoroaba, Lavinia A1 - Imhof, Andres A1 - Malo, Markus T1 - Das Profil des KOBV-Portals N2 - Zahlreiche lokale, nationale und internationale Informationsportale existieren mit zum Teil gleichen Angeboten und Dienstleistungen nebeneinander. Da der Aufbau und Betrieb von Portalen kostspielig ist, sollten die einzelnen Dienstleistungen abgestimmt und sinnvoll untereinander vernetzt werden. Für eine solch anzustrebende Kooperation unter Portalen ist es notwendig, ein jeweils eigenes Portalprofil zu definieren, um bei einer Gegenüberstellung der Profile die Abgrenzungen und Verknüpfungspunkte deutlich werden zu lassen. Die KOBV-Zentrale möchte mit der Profilbeschreibung des KOBV-Portals beginnen und so die eigenen Angebote des regionalen Portals mit denen anderer auf sinnvolle Weise verknüpfen. Für diese Positionsbestimmung werden die Dienstleistungen, die Zielgruppe, die Kriterien für die Ressourcenauswahl sowie die Abgrenzung zu anderen Portalen dargelegt. T3 - ZIB-Report - 04-54 KW - Informationsportal KW - Portal KW - Verbundportal KW - Digibib KW - Profilbeschreibung KW - Sammelprofil KW - KOBV-Suchmaschine KW - Digitale Bibliothek Y1 - 2005 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8292 ER - TY - GEN A1 - Erdmann, Bodo A1 - Lang, Jens A1 - Matera, Sebastian A1 - Wilmanski, Krzysztof T1 - Adaptive Linearly Implicit Methods for Linear Poroelastic Equations N2 - Adaptive numerical methods in time and space are introduced and studied for linear poroelastic models in two and three space dimensions. We present equivalent models for linear poroelasticity and choose both the {\em displacement--pressure} and the {\em stress--pressure} formulation for our computations. Their discretizations are provided by means of linearly implicit schemes in time and linear finite elements in space. Our concept of adaptivity opens a way to a fast and reliable simulation of different loading cases defined by corresponding boundary conditions. We present some examples using our code {\sf Kardos} and show that the method works efficiently. In particular, it could be used in the simulation of some bone healing models. T3 - ZIB-Report - 06-37 KW - Poroelasticity KW - Biot's model KW - bone healing KW - adaptive finite elements KW - adaptive time integration KW - Rosenbrock methods Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9312 ER - TY - GEN A1 - Stephan, Rüdiger T1 - Facets of the (s,t)-p-path polytope N2 - \noindent We give a partial description of the $(s,t)-p$-path polytope of a directed graph $D$ which is the convex hull of the incidence vectors of simple directed $(s,t)$-paths in $D$ of length $p$. First, we point out how the $(s,t)-p$-path polytope is located in the family of path and cycle polyhedra. Next, we give some classes of valid inequalities which are very similar to inequalities which are valid for the $p$-cycle polytope, that is, the convex hull of the incidence vectors of simple cycles of length $p$ in $D$. We give necessary and sufficient conditions for these inequalities to be facet defining. Furthermore, we consider a class of inequalities that has been identifie d to be valid for $(s,t)$-paths of cardinality at most $p$. Finally, we transfer the results to related polytopes, in particular, the undirected counterpart of the $(s,t)-p$-path polytope. T3 - ZIB-Report - 06-38 Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9328 ER - TY - GEN A1 - Weber, Marcus A1 - Walter, Lionel A1 - Kube, Susanna A1 - Deuflhard, Peter T1 - Stable computation of probability densities for metastable dynamical systems N2 - Whenever the invariant stationary density of metastable dynamical systems decomposes into almost invariant partial densities, its computation as eigenvector of some transition probability matrix is an ill-conditioned problem. In order to avoid this computational difficulty, we suggest to apply an aggregation/disaggregation method which only addresses wellconditioned sub-problems and thus results in a stable algorithm. In contrast to existing methods, the aggregation step is done via a sampling algorithm which covers only small patches of the sampling space. Finally, the theoretical analysis is illustrated by two biomolecular examples. T3 - ZIB-Report - 06-39 KW - dynamical systems KW - metastability KW - molecular conformations KW - cluster analysis KW - sampling KW - aggregation/disaggregation KW - domain decomposition Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9331 ER - TY - GEN A1 - Lügger, Joachim T1 - Neustart für Bibliotheken ins Informationszeitalter N2 - Wir erleben zu Beginn des aufkommenden Informationszeitalters mit dem Siegeszug von Google und anderen Internet-Technologien einen Wandel im Verhalten von Wissenschaftlern und Studenten, der mit dem Einsatz von {\sl Google Scholar} und {\sl Google Book Search} einen Paradigmenwechsel für Bibliotheken und Informationsversorger gleichkommt. Der Artikel untersucht die technischen Hintergründe für den Erfolg dieser besonderen Art des Information Retrievals: Fulltext Indexing und Citation Ranking als besondere Form des Information Minig. Er diskutiert Stärken und auch Schwächen des Google-Ansatzes. Der Autor stellt sich auch der Frage, unter welchen Bedingungen es möglich ist, ein zu {\sl Google Scholar} und der {\sl Google Book Search} konkurrenzfähiges Retrieval in der Landschaft der Bibliotheken und Bibliotheksverbünde zu entrichten. Die These ist, dass dieses unter Einsatz des {\sl Open Source} Indexierers {\sl Lucene} und des Web-Robots {\sl Nutch} möglich ist. Bibliotheken können durch gezielten Einsatz solcher Internet-Technologien dem Nutzer die Leistungen, welche Google uns mit seinen Tools im {\sl Visible Web} und mit Referenzen auf {\sl Citations} in der Welt der Literatur zur Verfügung stellt, in vergleichbarer Art auch für ihre eigenen durch Lizenzen geschützten digitalen Journale und ihre speziellen lokal verfügbaren Ressourcen, auf die Internet-Suchmaschinen keine Zugriff haben, anbieten. Es besteht die Hoffnung, dass Nutzer dann nicht - wie in einer kürzlichen Studie des OCLC konstatiert - überwiegend im Internet verbleiben, sondern bei ihrer Suche auch den Weg zu den Angeboten der örtlichen Bibliothek attraktiv finden. T3 - ZIB-Report - 06-40 KW - Information Retrieval KW - Volltextindizierung KW - Citation-Ranking KW - Suchmaschinen Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9347 ER - TY - GEN A1 - Schiela, Anton T1 - A continuity result for Nemyckii Operators and some applications in PDE constrained optimal control N2 - This work explores two applications of a classical result on the continuity of Nemyckii operators to optimal control with PDEs. First, we present an alternative approach to the analysis of Newton's method for function space problems involving semi-smooth Nemyckii operators. A concise proof for superlinear convergence is presented, and sharpened bounds on the rate of convergence are derived. Second, we derive second order sufficient conditions for problems, where the underlying PDE has poor regularity properties. We point out that the analytical structure in both topics is essentially the same. T3 - ZIB-Report - 06-41 KW - continuity of Nemyckii Operators KW - Newton methods in function space KW - optimal control KW - second order sufficient conditions Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9354 ER - TY - GEN A1 - Deuflhard, Peter A1 - Krause, Rolf A1 - Ertel, Susanne T1 - A Contact-Stabilized Newmark Method for Dynamical Contact Problems N2 - The numerical integration of dynamical contact problems often leads to instabilities at contact boundaries caused by the non-penetration condition between bodies in contact. Even a recent energy dissipative modification due to Kane et al. (1999), which discretizes the non-penetration constraints implicitly, is not able to circumvent artificial oscillations. For this reason, the present paper suggests a contact stabilization which avoids artificial oscillations at contact interfaces and is also energy dissipative. The key idea of this contact stabilization is an additional $L^2$-projection at contact interfaces, which can easily be added to any existing time integration scheme. In case of a lumped mass matrix, this projection can be carried out completely locally, thus creating only negligible additional numerical cost. For the new scheme, an elementary analysis is given, which is confirmed by numerical findings in an illustrative test example (Hertzian two body contact). T3 - ZIB-Report - 06-42 KW - Numerical problems in dynamical systems KW - nonlinear stabilities Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9361 ER - TY - GEN A1 - Harks, Tobias T1 - Nash Equilibria in Online Sequential Routing Games N2 - In this paper, we study the efficiency of Nash equilibria for a sequence of nonatomic routing games. We assume that the games are played consecutively in time in an online fashion: by the time of playing game $i$, future games $i+1,\dots,n$ are not known, and, once players of game $i$ are in equilibrium, their corresponding strategies and costs remain fixed. Given a sequence of games, the cost for the sequence of Nash equilibria is defined as the sum of the cost of each game. We analyze the efficiency of a sequence of Nash equilibria in terms of competitive analysis arising in the online optimization field. Our main result states that the online algorithm $\sl {SeqNash}$ consisting of the sequence of Nash equilibria is $\frac{4n}{2+n}$-competitive for affine linear latency functions. For $n=1$, this result contains the bound on the price of anarchy of $\frac{4}{3}$ for affine linear latency functions of Roughgarden and Tardos [2002] as a special case. Furthermore, we analyze a problem variant with a modified cost function that reflects the total congestion cost, when all games have been played. In this case, we prove an upper bound of $\frac{4n}{2+n}$ on the competitive ratio of $\sl {SeqNash}$. We further prove a lower bound of $\frac{3n-2}{n}$ of $\sl {SeqNash}$ showing that for $n=2$ our upper bound is tight. T3 - ZIB-Report - 06-43 KW - Congestion Game KW - Online Optimization KW - Nash equilibria Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9376 ER - TY - GEN A1 - Lopez-Fernandez, Maria A1 - Lubich, Christian A1 - Schädle, Achim T1 - Adaptive, Fast and Oblivious Convolution in Evolution Equations with Memory N2 - To approximate convolutions which occur in evolution equations with memory terms, a variable-stepsize algorithm is presented for which advancing $N$ steps requires only $O(N\log N)$ operations and $O(\log N)$ active memory, in place of $O(N^2)$ operations and $O(N)$ memory for a direct implementation. A basic feature of the fast algorithm is the reduction, via contour integral representations, to differential equations which are solved numerically with adaptive step sizes. Rather than the kernel itself, its Laplace transform is used in the algorithm. The algorithm is illustrated on three examples: a blow-up example originating from a Schrödinger equation with concentrated nonlinearity, chemical reactions with inhibited diffusion, and viscoelasticity with a fractional order constitutive law. T3 - ZIB-Report - 06-45 KW - convolution quadrature KW - adaptivity KW - Volterra integral equations KW - numerical inverse Laplace transform KW - anomalous diffusion KW - fractional order visco Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9399 ER - TY - GEN A1 - Brandt, Andreas A1 - Brandt, Manfred T1 - Waiting times for M/M systems under generalized processor sharing N2 - We consider a system where the arrivals form a Poisson process and the required service times of the requests are exponentially distributed. According to the generalized processor sharing discipline, each request in the system receives a fraction of the capacity of one processor which depends on the actual number of requests in the system. We derive systems of ordinary differential equations for the LST and for the moments of the conditional waiting time of a request with given required service time as well as a stable and fast recursive algorithm for the LST of the second moment of the conditional waiting time, which in particular yields the second moment of the unconditional waiting time. Moreover, asymptotically tight upper bounds for the moments of the conditional waiting time are given. The presented numerical results for the first two moments of the sojourn times in the $M/M/m-PS$ system show that the proposed algorithms work well. T3 - ZIB-Report - 06-46 KW - Poisson arrivals KW - exponential service times KW - generalized processor sharing KW - many-server KW - permanent customers KW - M/M/m-PS KW - waiting time KW - sojourn t Y1 - 2006 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-9404 ER - TY - GEN A1 - Kröller, Alexander A1 - Wessäly, Roland T1 - Integrated Optimization of Hardware Configuration and Capacity. Dimensioning in SDH and opaque WDM networks N2 - We suggest a new model for the design of telecommunication networks which integrates decisions about the topology, configuration of the switching hardware, link dimensioning, and protected routing of communication demands. Applying the branch-and-cut-algorithm implemented in our network planning and optimization tool DISCNET, we demonstrate that real-world based network planning instances of such an enhanced model can be solved. T3 - ZIB-Report - 03-49 KW - Survivable Network Design KW - Integer Programming KW - Hardware Configuration KW - Routing KW - Network Models KW - Network Planning KW - Resource Allocation KW - Surviva Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7714 ER - TY - GEN A1 - Koch, Thorsten T1 - Verteilter Dokumenten-Speicher, Erfahrungen mit den Kluwer-Daten des Friedrich-Althoff-Konsortiums N2 - Dieser Bericht beschreibt die Erfahrungen und Schlussfolgerungen,die im Rahmen der VDS-Vorstudie bei der Speicherung der vom Friedrich-Althoff-Konsortium lizenzierten Zeitschriften des Kluwer-Verlages gewonnen wurden. T3 - ZIB-Report - 03-50 KW - Dokumentenspeicherung KW - Metadaten Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7726 ER - TY - GEN A1 - Lügger, Joachim T1 - Vorhaben: Offene Navigation und Suchmaschinen in Verbünden, Konsortien und den Wissenschaften; Schlussbericht zumTeilprojekt des BMBF-Vorhabens: Kompetenznetzwerk NeueDienste, Standardisierung, Metadaten. N2 - Die harmonische Integration der Navigation und Suche in lizenzierten Journalen und gleichzeitig in freien digitalen Dokumenten unter einer einheitlichen konsistenten Nutzeroberflache ist eines der ungelösten F&E-Probleme der Fachinformation. Hierfür sollen Elemente des Invisible Web und des Visible Web unter Berücksichtigung offener Standards nahtlos #I miteinander verbunden werden. Dem Projekt liegt ein Modell mit Internet-Index, Metasuche und Open Linking über verteilten heterogenen Speichern #I zu Grunde: Verschiedenste Server, digitale Referenzen in Artikeln und Dokumenten, Links in Datenbanken und auf Bestelldienste sollen unter Berücksichtigung von Standort-, Studien- und Lernbedingungen kooperativ miteinander vernetzt werden. Die Leistungsfähigkeit des Modells soll in Pilotimplementierungen getestet und für eine breite Anwendung vorbereitet werden. Auf dieser Basis soll das Vorhaben Verteilter Zeitschriftenserver der AG der Verbundsysteme in eigenen Teilprojekten kooperativ initiiert werden, das jetzt in das Vorhaben Verteilter Dokumentenserver von vascoda integriert ist. T3 - ZIB-Report - 03-51 KW - Metasuchmaschine KW - Internet-Suchmaschinen KW - kontextsensitives Linking KW - OpenURL KW - Verteilter Zeitschriftenserver KW - Verteilter Dokumentenserver KW - Virtu Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7737 ER - TY - GEN A1 - Nowak, Ulrich A1 - Grah, Aleksander A1 - Schreier, Manfred T1 - Parameter Estimation and Accuracy Matching Strategies for 2-D Reactor Models N2 - The mathematical modeling of a special modular catalytic reactor kit leads to a system of partial differential equation in two space dimensions. As customary, this model contains unconfident physical parameters, which may be adapted to fit experimental data. To solve this nonlinear least squares problem we apply a damped Gauss-Newton method. A method of lines approach is used to evaluate the associated model equations. By an a priori spatial discretization a large DAE system is derived and integrated with an adaptive, linearly-implicit extrapolation method. For sensitivity evaluation we apply an internal numerical differentiation technique, which reuses linear algebra information from the model integration. In order not to interfere the control of the Gauss-Newton iteration these computations are done usually very accurately and, therefore, very costly. To overcome this difficulty, we discuss several accuracy adaptation strategies, e.g., a master-slave mode. Finally, we present some numerical experiments. T3 - ZIB-Report - 03-52 KW - parameter estimation KW - accuracy matching KW - method of lines KW - differential-algebraic systems KW - extrapolation methods KW - catalytic reactor models Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7749 ER - TY - GEN A1 - Baum, Daniel T1 - Finding All Maximal Cliques of a Family of Induced Subgraphs N2 - Many real world problems can be mapped onto graphs and solved with well-established efficient algorithms studied in graph theory. One such problem is to find large sets of points satisfying some mutual relationship. This problem can be transformed to the problem of finding all cliques of an undirected graph by mapping each point onto a vertex of the graph and connecting any two vertices by an edge whose corresponding points satisfy our desired relationship. Clique detection has been widely studied and there exist efficient algorithms. In this paper we study a related problem, where all points have a set of binary attributes, each of which is either 0 or 1. This is only a small limitation, since all discrete properties can be mapped onto binary attributes. In our case, we want to find large sets of points not only satisfying some mutual relationship; but, in addition, all points of a set also need to have at least one common attribute with value 1. The problem we described can be mapped onto a set of induced subgraphs, where each subgraph represents a single attribute. For attribute $i$, its associated subgraph contains those vertices corresponding to the points with attribute $i$ set to 1. We introduce the notion of a maximal clique of a family, $\mathcal{G}$, of induced subgraphs of an undirected graph, and show that determining all maximal cliques of $\mathcal{G}$ solves our problem. Furthermore, we present an efficient algorithm to compute all maximal cliques of $\mathcal{G}$. The algorithm we propose is an extension of the widely used Bron-Kerbosch algorithm. T3 - ZIB-Report - 03-53 KW - Bron-Kerbosch algorithm KW - maximal cliques KW - vertex properties KW - family of induced subgraphs KW - backtracking algorithm KW - branch and bound technique KW - re Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7758 ER - TY - GEN A1 - Deuflhard, Peter A1 - (Chairs), Hyung Yong Ra T1 - Korean-German Bilateral Symposium on Scientific Computing N2 - Collection of abstracts of the Korean-German Bilateral Symposium on Scientific Computing, Berlin January 15/16, 2004 T3 - ZIB-Report - 04-02 KW - Abstracts Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7778 ER - TY - GEN A1 - Weber, Marcus T1 - Clustering by using a simplex structure N2 - In this paper we interpret clustering as a mapping of data into a simplex. If the data itself has simplicial struture this mapping becomes linear. Spectral analysis is an often used tool for clustering data. We will show that corresponding singular vectors or eigenvectors comprise simplicial structure. Therefore they lead to a cluster algorithm, which consists of a simple linear mapping. An example for this kind of algorithms is the Perron cluster analysis (PCCA). We have applied it in practice to identify metastable sets of molecular dynamical systems. In contrast to other algorithms, this kind of approach provides an a priori criterion to determine the number of clusters. In this paper we extend the ideas to more general problems like clustering of bipartite graphs. T3 - ZIB-Report - 04-03 KW - cluster algorithms KW - Perron cluster analysis KW - stochastic matrices KW - bipartite graphs Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7782 ER - TY - GEN A1 - Bley, Andreas A1 - Koch, Thorsten A1 - Wessäly, Roland T1 - Large-scale hierarchical networks: How to compute an optimal architecture? N2 - In this article, we present a mathematical model and an algorithm to support one of the central strategic planning decisions of network operators: How to organize a large number of locations into a hierarchical network? We propose a solution approach that is based on mixed-integer programming and Lagrangian relaxation techniques. As major advantage, our approach provides not only solutions but also worst-case quality guarantees. Real-world scenarios with more than 750 locations have been solved within 30 minutes to less than 1\% off optimality. T3 - ZIB-Report - 04-04 KW - Hierarchical Networks KW - Mixed-Integer Programming KW - Lagrangian Relaxation Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7799 ER - TY - GEN A1 - Helmes, Kurt A1 - Röhl, Stefan T1 - A Geometrical Characterization of the Multidimensional Hausdorff and Dale Polytopes with Applications to Exit Time Problems N2 - We present formulae for the corner points of the multidimensional Hausdorff and Dale Polytopes and show how these results can be used to improve linear programming models for computing e.\,g.\ moments of exit distribution of diffusion processes. Specifically, we compute the mean exit time of twodimensional Brownian motion from the unit square and the unit triangle, as well as higher moments of the exit time of time space Brownian motion from a triangle. T3 - ZIB-Report - 04-05 KW - linear programming KW - special polytopes KW - moment problems KW - Brownian motion on a triangle KW - numerical methods for exit time problems Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-7807 ER - TY - GEN A1 - Lutz-Westphal, Brigitte T1 - Die Mathematik der kürzesten Wege. Inhalte und Methoden für den Unterricht N2 - Wie findet man den optimalen Weg im U-Bahnnetz? Das Problem wird als Graph modelliert und dann eine Breitensuche durchgeführt. Will man Weglängen oder Fahrzeiten mitberücksichtigen, so braucht man den Algorithmus von Dijkstra für gewichtige Graphen. Beim Nachdenken über diese Algorithmen werden auch Fragestellungen der Graphentheorie berührt. In einem zweiten Abschnitt werden methodische Hinweise für den Unterricht in der Sekundarstufe I und II gegeben, insbesondere, wie man Lernende dazu bringen kann, ihre Ideen für Algorithmen präzise zu analysieren und zu Papier zu bringen. T3 - ZIB-Report - 04-36 KW - Schule KW - Unterricht KW - Graphenalgorithmen KW - Graphen KW - Unterrichtsmethoden Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8116 ER - TY - GEN A1 - Joswig, Michael A1 - Pfetsch, Marc T1 - Computing Optimal Morse Matchings N2 - Morse matchings capture the essential structural information of discrete Morse functions. We show that computing optimal Morse matchings is NP-hard and give an integer programming formulation for the problem. Then we present polyhedral results for the corresponding polytope and report on computational results. T3 - ZIB-Report - 04-37 KW - discrete Morse function KW - Morse matching Y1 - 2004 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-8120 ER -