@misc{AmrheinHaslerKlindtetal.2017, author = {Amrhein, Kilian and Hasler, Tim and Klindt, Marco and Oltmanns, Elias and Peters-Kottig, Wolfgang}, title = {Digitale Langzeitarchivierung: Mustervorlage f{\"u}r {\"U}bernahmevereinbarungen, Version 2}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-63245}, year = {2017}, abstract = {Digitale Langzeitarchivierung erfolgt auf Grundlage verbindlicher Regelungen zwischen Langzeitarchiv und Datengeber. Detaillierte organisatorische und technische Bedingungen f{\"u}r Daten{\"u}bernahmen werden dabei in Absprache zwischen den Kooperationspartnern in einer {\"U}bernahmevereinbarung festgehalten. Im Rahmen der Entwicklung des Langzeitarchivs EWIG am Zuse Institute Berlin ist die hier dokumentierte zweite Version der Mustervorlage f{\"u}r {\"U}bernahmevereinbarungen entstanden. Das Submission Manifest wurde in aktualisierter Version 1.3 eingef{\"u}gt, es erfolgten sprachliche Pr{\"a}zisierungen, und die Beispiele m{\"o}glicher Verzeichnisstrukturen f{\"u}r Transferpakete wurden erneuert.}, language = {de} } @misc{AboulhassanSicatBaumetal.2017, author = {Aboulhassan, Amal and Sicat, Ronell and Baum, Daniel and Wodo, Olga and Hadwiger, Markus}, title = {Comparative Visual Analysis of Structure-Performance Relations in Complex Bulk-Heterojunction Morphologies}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-63239}, year = {2017}, abstract = {The structure of Bulk-Heterojunction (BHJ) materials, the main component of organic photovoltaic solar cells, is very complex, and the relationship between structure and performance is still largely an open question. Overall, there is a wide spectrum of fabrication configurations resulting in different BHJ morphologies and correspondingly different performances. Current state- of-the-art methods for assessing the performance of BHJ morphologies are either based on global quantification of morphological features or simply on visual inspection of the morphology based on experimental imaging. This makes finding optimal BHJ structures very challenging. Moreover, finding the optimal fabrication parameters to get an optimal structure is still an open question. In this paper, we propose a visual analysis framework to help answer these questions through comparative visualization and parameter space exploration for local morphology features. With our approach, we enable scientists to explore multivariate correlations between local features and performance indicators of BHJ morphologies. Our framework is built on shape-based clustering of local cubical regions of the morphology that we call patches. This enables correlating the features of clusters with intuition-based performance indicators computed from geometrical and topological features of charge paths.}, language = {en} } @misc{ZhukovaHiepenKnausetal.2017, author = {Zhukova, Yulia and Hiepen, Christian and Knaus, Petra and Osterland, Marc and Prohaska, Steffen and Dunlop, John W. C. and Fratzl, Peter and Skorb, Ekaterina V.}, title = {The role of titanium surface nanotopography on preosteoblast morphology, adhesion and migration}, issn = {1438-0064}, doi = {10.1002/adhm.201601244}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-63053}, year = {2017}, abstract = {Surface structuring of titanium-based implants with appropriate nanotopographies can significantly modulate their impact on the biological behavior of cells populating these implants. Implant assisted bone tissue repair and regeneration require functional adhesion and expansion of bone progenitors. The surface nanotopography of implant materials used to support bone healing and its effect on cell behavior, in particular cell adhesion, spreading, expansion, and motility, is still not clearly understood. The aim of this study is to investigate preosteoblast proliferation, adhesion, morphology, and migration on different titanium materials with similar surface chemistry, but distinct nanotopographical features. Sonochemical treatment and anodic oxidation were employed to fabricate disordered - mesoporous titania (TMS), and ordered - titania nanotubular (TNT) topographies respectively. The morphological evaluation revealed a surface dependent shape, thickness, and spreading of cells owing to different adherence behavior. Cells were polygonal-shaped and well-spread on glass and TMS, but displayed an elongated fibroblast-like morphology on TNT surfaces. The cells on glass however, were much flatter than on nanostructured surfaces. Both nanostructured surfaces impaired cell adhesion, but TMS was more favorable for cell growth due to its support of cell attachment and spreading in contrast to TNT. Quantitative wound healing assay in combination with live-cell imaging revealed that cells seeded on TMS surfaces migrated in close proximity to neighboring cells and less directed when compared to the migratory behavior on other surfaces. The results indicate distinctly different cell adhesion and migration on ordered and disordered titania nanotopographies, providing important information that could be used in optimizing titanium-based scaffold design to foster bone tissue growth and repair.}, language = {en} } @misc{Tesch2016, author = {Tesch, Alexander}, title = {Improved Compact Models for the Resource-Constrained Project Scheduling Problem}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62891}, year = {2016}, abstract = {In this article, we study compact Mixed-Integer Programming (MIP) models for the Resource-Constrained Project Scheduling Problem (RCPSP). Compared to the classical time-indexed formulation, the size of compact models is strongly polynomial in the number of jobs. In addition to two compact models from the literature, we propose a new compact model. We can show that all three compact models are equivalent by successive linear transformations. For their LP-relaxations, however, we state a full inclusion hierarchy where our new model dominates the previous models in terms of polyhedral strength. Moreover, we reveal a polyhedral relationship to the common time-indexed model. Furthermore, a general class of valid cutting planes for the compact models is introduced and finally all models are evaluated by computational experiments.}, language = {en} } @misc{GuptaGramatkeEinspanieretal.2017, author = {Gupta, Pooja and Gramatke, Annika and Einspanier, Ralf and Sch{\"u}tte, Christof and von Kleist, Max and Sharbati, Jutta}, title = {In silicio cytotoxicity assessment on cultured rat intestinal cells deduced from cellular impedance measurements}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62666}, year = {2017}, abstract = {Early and reliable identification of chemical toxicity is of utmost importance. At the same time, reduction of animal testing is paramount. Therefore, methods that improve the interpretability and usability of in vitro assays are essential. xCELLigence's real-time cell analyzer (RTCA) provides a novel, fast and cost effective in vitro method to probe compound toxicity. We developed a simple mathematical framework for the qualitative and quantitative assessment of toxicity for RTCA measurements. Compound toxicity, in terms of its 50\% inhibitory concentration IC_{50} on cell growth, and parameters related to cell turnover were estimated on cultured IEC-6 cells exposed to 10 chemicals at varying concentrations. Our method estimated IC50 values of 113.05, 7.16, 28.69 and 725.15 μM for the apparently toxic compounds 2-acetylamino-fluorene, aflatoxin B1, benzo-[a]-pyrene and chloramphenicol in the tested cell line, in agreement with literature knowledge. IC_{50} values of all apparent in vivo non-toxic compounds were estimated to be non-toxic by our method. Corresponding estimates from RTCA's in-built model gave false positive (toxicity) predictions in 5/10 cases. Taken together, our proposed method reduces false positive predictions and reliably identifies chemical toxicity based on impedance measurements. The source code for the developed method including instructions is available at https://git.zib.de/bzfgupta/toxfit/tree/master.}, language = {en} } @misc{Freytag2017, author = {Freytag, Yvonne}, title = {Optimal Experimental Design to Estimate the Time of Death in a Bayesian Context}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62475}, year = {2017}, abstract = {This thesis is devoted to the interdisciplinary work between mathematicians and forensic experts: the modeling of the human body cooling process after death laying the foundation for the estimation of the time of death. An inverse problem needs to be solved. In this thesis the inverse problem computes the time of death given the measured body temperature and the Forward Model that simulates the body cooling process. The Forward Model is based on the heat equation established by Fourier. This differential equation is numerically solved by the discretization over space by the Finite Element Method and the discretization over time by the Implicit Euler Method. The applications in this thesis demand a fast computation time. A model reduction is achieved by the Proper Orthogonal Decomposition in combination with the Galerkin Method. For reasons of simplification the computations and the measurements are restricted to a cylindrical phantom that is made out of homogeneous polyethylene. The estimate of the time of death is accompanied by an uncertainty. The inverse problem is incorporated by Bayesian inference to interpret the quality of the estimate and the effciency of the experiment. The uncertainty of the estimate of the time of death is minimized by approaching the Optimal Design of the Experiment. An objective function measures the certainty of the data and lays the foundation of the optimization problem. Solving the optimization problem is successfully done by relaxing the complex discrete NP-hard problem and applying a gradient-based method. The results of this thesis clearly show that the design of an experiment has a great in- uence on the outcome of the quality of the estimate. The comparison of the estimate and its properties based on different designs and conditions reveals the effciency of the Design of Experiment in the context of the estimation of the time of death.}, language = {en} } @misc{KaplanLauferProhaskaetal.2017, author = {Kaplan, Bernhard and Laufer, Jan and Prohaska, Steffen and Buchmann, Jens}, title = {Monte-Carlo-based inversion scheme for 3D quantitative photoacoustic tomography}, issn = {1438-0064}, doi = {10.1117/12.2251945}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62318}, year = {2017}, abstract = {The goal of quantitative photoacoustic tomography (qPAT) is to recover maps of the chromophore distributions from multiwavelength images of the initial pressure. Model-based inversions that incorporate the physical processes underlying the photoacoustic (PA) signal generation represent a promising approach. Monte-Carlo models of the light transport are computationally expensive, but provide accurate fluence distributions predictions, especially in the ballistic and quasi-ballistic regimes. Here, we focus on the inverse problem of 3D qPAT of blood oxygenation and investigate the application of the Monte-Carlo method in a model-based inversion scheme. A forward model of the light transport based on the MCX simulator and acoustic propagation modeled by the k-Wave toolbox was used to generate a PA image data set acquired in a tissue phantom over a planar detection geometry. The combination of the optical and acoustic models is shown to account for limited-view artifacts. In addition, the errors in the fluence due to, for example, partial volume artifacts and absorbers immediately adjacent to the region of interest are investigated. To accomplish large-scale inversions in 3D, the number of degrees of freedom is reduced by applying image segmentation to the initial pressure distribution to extract a limited number of regions with homogeneous optical parameters. The absorber concentration in the tissue phantom was estimated using a coordinate descent parameter search based on the comparison between measured and modeled PA spectra. The estimated relative concentrations using this approach lie within 5 \% compared to the known concentrations. Finally, we discuss the feasibility of this approach to recover the blood oxygenation from experimental data.}, language = {en} } @misc{RalphsShinanoBertholdetal.2016, author = {Ralphs, Ted and Shinano, Yuji and Berthold, Timo and Koch, Thorsten}, title = {Parallel Solvers for Mixed Integer Linear Programming}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62239}, year = {2016}, abstract = {In this article, we introduce parallel mixed integer linear programming (MILP) solvers. MILP solving algorithms have been improved tremendously in the last two decades. Currently, commercial MILP solvers are known as a strong optimization tool. Parallel MILP solver development has started in 1990s. However, since the improvements of solving algorithms have much impact to solve MILP problems than application of parallel computing, there were not many visible successes. With the spread of multi-core CPUs, current state-of-the-art MILP solvers have parallel implementations and researches to apply parallelism in the solving algorithm also getting popular. We summarize current existing parallel MILP solver architectures.}, language = {en} } @misc{ChraparyDalitzNeunetal.2017, author = {Chrapary, Hagen and Dalitz, Wolfgang and Neun, Winfried and Sperber, Wolfram}, title = {Design, concepts, and state of the art of the swMATH service}, issn = {1438-0064}, doi = {10.1007/s11786-017-0305-5}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62263}, year = {2017}, abstract = {In this paper, the concepts and design for an efficient information service for mathematical software and further mathematical research data are presented. The publication-based approach and the Web-based approach are the main building blocks of the service and will be discussed. Heuristic methods are used for identification, extraction, and ranking of information about software and other mathematical research data. The methods provide not only information about the research data but also link software and mathematical research data to the scientific context.}, language = {en} } @misc{BaumannHegeSchwarzetal.1996, author = {Baumann, Wolfgang and Hege, Hans-Christian and Schwarz, Uwe and St{\"u}ben, Hinnerk}, title = {Netzverteilte Visualisierung und Simulation}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-5379}, number = {TR-96-08}, year = {1996}, abstract = {Dieser Bericht beschreibt die Ergebnisse eines Anwendungsprojektes, das parallel zum Aufbau des Berliner Hochgeschwindigkeitsdatennetzes (Berlin Regional Testbed) am ZIB durchgef{\"u}hrt wurde. Es werden allgemeine Werkzeuge und anwendungsspezifische Arbeitsumgebungen zur netzverteilten Visualisierung und Simulation vorgestellt. Die allgemeinen Werkzeuge unterst{\"u}tzen folgende Aufgaben: Kopplung von Simulationen auf (Hochleistungs-)Rechnern an lokale Grafikarbeitspl{\"a}tze, objektorientierte und verteilte Visualisierung, Remote-Videoaufzeichnung, Bilddatenkompression und digitaler Filmschnitt. Die spezifischen Arbeitsumgebungen wurden f{\"u}r Aufgaben aus den Bereichen Numerische Mathematik, Astrophysik, Strukturforschung, Chemie, Polymerphysik und Str{\"o}mungsmechanik entwickelt.}, language = {de} } @misc{MaherFischerGallyetal.2017, author = {Maher, Stephen J. and Fischer, Tobias and Gally, Tristan and Gamrath, Gerald and Gleixner, Ambros and Gottwald, Robert Lion and Hendel, Gregor and Koch, Thorsten and L{\"u}bbecke, Marco and Miltenberger, Matthias and M{\"u}ller, Benjamin and Pfetsch, Marc and Puchert, Christian and Rehfeldt, Daniel and Schenker, Sebastian and Schwarz, Robert and Serrano, Felipe and Shinano, Yuji and Weninger, Dieter and Witt, Jonas T. and Witzig, Jakob}, title = {The SCIP Optimization Suite 4.0}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62170}, year = {2017}, abstract = {The SCIP Optimization Suite is a powerful collection of optimization software that consists of the branch-cut-and-price framework and mixed-integer programming solver SCIP, the linear programming solver SoPlex, the modeling language Zimpl, the parallelization framework UG, and the generic branch-cut-and-price solver GCG. Additionally, it features the extensions SCIP-Jack for solving Steiner tree problems, PolySCIP for solving multi-objective problems, and SCIP-SDP for solving mixed-integer semidefinite programs. The SCIP Optimization Suite has been continuously developed and has now reached version 4.0. The goal of this report is to present the recent changes to the collection. We not only describe the theoretical basis, but focus on implementation aspects and their computational consequences.}, language = {en} } @misc{Weber2017, author = {Weber, Marcus}, title = {Eigenvalues of non-reversible Markov chains - A case study}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62191}, year = {2017}, abstract = {Finite reversible Markov chains are characterized by a transition matrix P that has real eigenvalues and pi-orthogonal eigenvectors, where pi is the stationary distribution of P. This means, that a transition matrix with complex eigenvalues corresponds to a non-reversible Markov chain. This observation leads to the question, whether the imaginary part of that eigendecomposition corresponds to or indicates the "pattern" of the nonreversibility. This article shows that the direct relation between imaginary parts of eigendecompositions and the non-reversibility of a transition matrix is not given. It is proposed to apply the Schur decomposition of P instead of the eigendecomposition in order to characterize its nonreversibility.}, language = {en} } @misc{WeberFackeldeySchuette2017, author = {Weber, Marcus and Fackeldey, Konstantin and Sch{\"u}tte, Christof}, title = {Set-free Markov State Building}, issn = {1438-0064}, doi = {10.1063/1.4978501}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62167}, year = {2017}, abstract = {Molecular dynamics (MD) simulations face challenging problems since the timescales of interest often are much longer than what is possible to simulate and even if sufficiently long simulation are possible the complex nature of the resulting simulation data makes interpretation difficult. Markov State Models (MSMs) help to overcome these problems by making experimentally relevant timescales accessible via coarse grained representations that also allows for convenient interpretation. However, standard set-based MSMs exhibit some caveats limiting their approximation quality and statistical significance. One of the main caveats results from the fact that typical MD trajectories repeatedly re-cross the boundary between the sets used to build the MSM which causes statistical bias in estimating the transition probabilities between these sets. In this article, we present a set-free approach to MSM building utilizing smooth overlapping ansatz functions instead of sets and an adaptive refinement approach. This kind of meshless discretization helps to overcome the recrossing problem and yields an adaptive refinement procedure that allows to improve the quality of the model while exploring state space and inserting new ansatz functions into the MSM.}, language = {en} } @misc{QuerDonatiKelleretal.2017, author = {Quer, Jannes and Donati, Luca and Keller, Bettina and Weber, Marcus}, title = {An automatic adaptive importance sampling algorithm for molecular dynamics in reaction coordinates}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62075}, year = {2017}, abstract = {In this article we propose an adaptive importance sampling scheme for dynamical quantities of high dimensional complex systems which are metastable. The main idea of this article is to combine a method coming from Molecular Dynamics Simulation, Metadynamics, with a theorem from stochastic analysis, Girsanov's theorem. The proposed algorithm has two advantages compared to a standard estimator of dynamic quantities: firstly, it is possible to produce estimators with a lower variance and, secondly, we can speed up the sampling. One of the main problems for building importance sampling schemes for metastable systems is to find the metastable region in order to manipulate the potential accordingly. Our method circumvents this problem by using an assimilated version of the Metadynamics algorithm and thus creates a non-equilibrium dynamics which is used to sample the equilibrium quantities.}, language = {en} } @misc{Tesch2016, author = {Tesch, Alexander}, title = {A Nearly Exact Propagation Algorithm for Energetic Reasoning in O(n^2 log n)}, issn = {1438-0064}, doi = {10.1007/978-3-319-44953-1_32}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-59332}, year = {2016}, abstract = {In constraint programming, energetic reasoning constitutes a powerful start time propagation rule for cumulative scheduling problems (CuSP). In this paper, we first present an improved time interval checking algorithm that is derived from a polyhedral model. In a second step, we extend this algorithm to an energetic reasoning propagation algorithm with complexity O(n^2 log n) where n denotes the number of jobs. The key idea is based on a new sweep line subroutine that efficiently evaluates the relevant time intervals for all jobs. In particular, our algorithm yields at least one possible energetic reasoning propagation for each job. Finally, we show that on the vast number of relevant time intervals our approach yields the maximum possible propagation according to the energetic reasoning rule.}, language = {en} } @misc{GleixnerMaherMuelleretal.2017, author = {Gleixner, Ambros and Maher, Stephen J. and M{\"u}ller, Benjamin and Pedroso, Jo{\~a}o Pedro}, title = {Exact Methods for Recursive Circle Packing}, doi = {10.1007/s10479-018-3115-5}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62039}, year = {2017}, abstract = {Packing rings into a minimum number of rectangles is an optimization problem which appears naturally in the logistics operations of the tube industry. It encompasses two major difficulties, namely the positioning of rings in rectangles and the recursive packing of rings into other rings. This problem is known as the Recursive Circle Packing Problem (RCPP). We present the first dedicated method for solving RCPP that provides strong dual bounds based on an exact Dantzig-Wolfe reformulation of a nonconvex mixed-integer nonlinear programming formulation. The key idea of this reformulation is to break symmetry on each recursion level by enumerating one-level packings, i.e., packings of circles into other circles, and by dynamically generating packings of circles into rectangles. We use column generation techniques to design a "price-and-verify" algorithm that solves this reformulation to global optimality. Extensive computational experiments on a large test set show that our method not only computes tight dual bounds, but often produces primal solutions better than those computed by heuristics from the literature.}, language = {en} } @misc{BorndoerferHoppmannKarbstein2017, author = {Bornd{\"o}rfer, Ralf and Hoppmann, Heide and Karbstein, Marika}, title = {Umsteigen ohne Warten}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-62006}, year = {2017}, abstract = {Wir stellen einen mathematischen Optimierungsansatz zur Berechnung von periodischen Taktfahrpl{\"a}nen vor, bei dem die Umsteigezeiten unter Ber{\"u}cksichtigung des Passagierverhaltens minimiert werden. Wir untersuchen damit den Einfluss wichtiger Systemparameter und Verhaltensmuster auf die Bef{\"o}rderungsqualit{\"a}t.}, language = {de} } @misc{HillerKochScheweetal.2017, author = {Hiller, Benjamin and Koch, Thorsten and Schewe, Lars and Schwarz, Robert and Schweiger, Jonas}, title = {A System to Evaluate Gas Network Capacities: Concepts and Implementation}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61931}, year = {2017}, abstract = {Since 2005, the gas market in the European Union is liberalized and the trading of natural gas is decoupled from its transport. The transport is done by so-called transmissions system operators or TSOs. The market model established by the European Union views the gas transmission network as a black box, providing shippers (gas traders and consumers) the opportunity to transport gas from any entry to any exit. TSOs are required to offer maximum independent capacities at each entry and exit such that the resulting gas flows can be realized by the network without compromising security of supply. Therefore, evaluating the available transport capacities is extremely important to the TSOs. This paper gives an overview of the toolset for evaluating gas network capacities that has been developed within the ForNe project, a joint research project of seven research partners initiated by Open Grid Europe, Germany's biggest TSO. While most of the relevant mathematics is described in the book "Evaluating Gas Network Capacities", this article sketches the system as a whole, describes some developments that have taken place recently, and gives some details about the current implementation.}, language = {en} } @misc{BaumLindowHegeetal.2017, author = {Baum, Daniel and Lindow, Norbert and Hege, Hans-Christian and Lepper, Verena and Siopi, Tzulia and Kutz, Frank and Mahlow, Kristin and Mahnke, Heinz-Eberhard}, title = {Revealing hidden text in rolled and folded papyri}, issn = {1438-0064}, doi = {10.1007/s00339-017-0808-6}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61826}, year = {2017}, abstract = {Ancient Egyptian papyri are often folded, rolled up or kept as small packages, sometimes even sealed. Physically unrolling or unfolding these packages might severely damage them. We demonstrate a way to get access to the hidden script without physical unfolding by employing computed tomography and mathematical algorithms for virtual unrolling and unfolding. Our algorithmic approaches are combined with manual interaction. This provides the necessary flexibility to enable the unfolding of even complicated and partly damaged papyrus packages. In addition, it allows us to cope with challenges posed by the structure of ancient papyrus, which is rather irregular, compared to other writing substrates like metallic foils or parchment. Unfolding of packages is done in two stages. In the first stage, we virtually invert the physical folding process step by step until the partially unfolded package is topologically equivalent to a scroll or a papyrus sheet folded only along one fold line. To minimize distortions at this stage, we apply the method of moving least squares. In the second stage, the papyrus is simply flattened, which requires the definition of a medial surface. We have applied our software framework to several papyri. In this work, we present the results of applying our approaches to mockup papyri that were either rolled or folded along perpendicular fold lines. In the case of the folded papyrus, our approach represents the first attempt to address the unfolding of such complicated folds.}, language = {en} } @misc{FranckLohrumPolojannis2017, author = {Franck, Hildegard and Lohrum, Stefan and Polojannis, Jannis}, title = {Automatisierte Fernleihe im KOBV - Handbuch f{\"u}r Bibliotheken - 5. Auflage}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61766}, year = {2017}, abstract = {Im Kooperativen Bibliotheksverbund Berlin-Brandenburg (KOBV) wird f{\"u}r die automatisierte 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 f{\"u}r die Bestellung von Monographien als auch f{\"u}r die Bestellung von Aufsatzkopien aus Zeitschriften und Monographien. Prinzipiell gibt es zwei Verfahren, mit denen sich Bibliotheken an der automatisierten Fernleihe beteiligen k{\"o}nnen: das E-Mail-Verfahren und das SLNP-Verfahren. Auf beide wird im Handbuch eingegangen. Die automatisierte Fernleihe wurde im KOBV eingef{\"u}hrt, um die Fernleihe f{\"u}r die Benutzer zu be­schleunigen, das Verfahren f{\"u}r die Bibliotheksmitarbeiter zu vereinfachen und den Arbeitsaufwand zu reduzieren. Sie basiert darauf, dass eine Bestellung anhand eines gefundenen Treffers ausgel{\"o}st wird - d.h. die bibliographischen Daten sind bereits verifiziert und in einem Katalog nachgewiesen. Anschließend werden die Bestellungen {\"u}ber den ZFL-Server automatisch ausgef{\"u}hrt und verwaltet - sowohl in der regionalen KOBV-Fernleihe als auch in der verbund{\"u}bergreifenden Fernleihe mit den deutschen Bibliotheksverb{\"u}nden. Der ZFL-Server besteht aus verschiedenen technischen Komponen­ten. Eine dieser Komponenten ist das Bibliothekskonto, eine Internetanwendung, in der die Bestell­verwaltung des ZFL-Servers f{\"u}r die Bibliotheksbediensteten transparent abl{\"a}uft. Dazu hat jede Biblio­thek im Bibliothekskonto eine eigene, Passwort-gesch{\"u}tzte Dienstoberfl{\"a}che. Seit Juli 2016 wird im Bibliothekskonto eine neu konzipierte Leitwegsteuerung basierend auf dem KOBV-Portal und dem Fernleihindex, der die deutschen Verbunddatenbanken enth{\"a}lt, eingesetzt.}, language = {de} } @misc{GriewankStreubelLehmannetal.2016, author = {Griewank, Andreas and Streubel, Tom and Lehmann, Lutz and Hasenfelder, Richard and Radons, Manuel}, title = {Piecewise linear secant approximation via Algorithmic Piecewise Differentiation}, issn = {1438-0064}, doi = {10.1080/10556788.2017.1387256}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61642}, year = {2016}, abstract = {It is shown how piecewise differentiable functions \(F: R^n → R^m\) that are defined by evaluation programs can be approximated locally by a piecewise linear model based on a pair of sample points x̌ and x̂. We show that the discrepancy between function and model at any point x is of the bilinear order O(||x - x̌|| ||x - x̂||). This is a little surprising since x ∈ R^n may vary over the whole Euclidean space, and we utilize only two function samples F̌ = F(x̌) and F̂ = F(x̂), as well as the intermediates computed during their evaluation. As an application of the piecewise linearization procedure we devise a generalized Newton's method based on successive piecewise linearization and prove for it sufficient conditions for convergence and convergence rates equaling those of semismooth Newton. We conclude with the derivation of formulas for the numerically stable implementation of the aforedeveloped piecewise linearization methods.}, language = {en} } @misc{BertholdHendelKoch2016, author = {Berthold, Timo and Hendel, Gregor and Koch, Thorsten}, title = {The Three Phases of MIP Solving}, issn = {1438-0064}, doi = {10.1080/10556788.2017.1392519}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61607}, year = {2016}, abstract = {Modern MIP solvers employ dozens of auxiliary algorithmic components to support the branch-and-bound search in finding and improving primal solutions and in strengthening the dual bound. Typically, all components are tuned to minimize the average running time to prove optimality. In this article, we take a different look at the run of a MIP solver. We argue that the solution process consists of three different phases, namely achieving feasibility, improving the incumbent solution, and proving optimality. We first show that the entire solving process can be improved by adapting the search strategy with respect to the phase-specific aims using different control tunings. Afterwards, we provide criteria to predict the transition between the individual phases and evaluate the performance impact of altering the algorithmic behavior of the MIP solver SCIP at the predicted phase transition points.}, language = {en} } @misc{LenzSchwarz2016, author = {Lenz, Ralf and Schwarz, Robert}, title = {Optimal Looping of Pipelines in Gas Networks}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61564}, year = {2016}, abstract = {In this paper, we compare several approaches for the problem of gas network expansions using loops, that is, to build new pipelines in parallel to existing ones. We present different model formulations for the problem of continuous loop expansions as well as discrete loop expansions. We then analyze problem properties, such as the structure and convexity of the underlying feasible regions. The paper concludes with a computational study comparing the continuous and the discrete formulations.}, language = {en} } @misc{HennigSchwarz2016, author = {Hennig, Kai and Schwarz, Robert}, title = {Using Bilevel Optimization to find Severe Transport Situations in Gas Transmission Networks}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61519}, year = {2016}, abstract = {In the context of gas transmission in decoupled entry-exit systems, many approaches to determine the network capacity are based on the evaluation of realistic and severe transport situations. In this paper, we review the Reference Point Method, which is an algorithm used in practice to generate a set of scenarios using the so-called transport moment as a measure for severity. We introduce a new algorithm for finding severe transport situations that considers an actual routing of the flow through the network and is designed to handle issues arising from cyclic structures in a more dynamical manner. Further, in order to better approximate the physics of gas, an alternative, potential based flow formulation is proposed. The report concludes with a case study based on data from the benchmark library GasLib.}, language = {en} } @misc{BorndoerferGrimmReutheretal.2016, author = {Bornd{\"o}rfer, Ralf and Grimm, Boris and Reuther, Markus and Schlechte, Thomas}, title = {Optimization of Handouts for Rolling Stock Rotations Visualization}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61430}, year = {2016}, abstract = {A railway operator creates (rolling stock) rotations in order to have a precise master plan for the operation of a timetable by railway vehicles. A rotation is considered as a cycle that multiply traverses a set of operational days while covering trips of the timetable. As it is well known, the proper creation of rolling stock rotations by, e.g., optimization algorithms is challenging and still a topical research subject. Nevertheless, we study a completely different but strongly related question in this paper, i.e.: How to visualize a rotation? For this purpose, we introduce a basic handout concept, which directly leads to the visualization, i.e., handout of a rotation. In our industrial application at DB Fernverkehr AG, the handout is exactly as important as the rotation itself. Moreover, it turns out that also other European railway operators use exactly the same methodology (but not terminology). Since a rotation can have many handouts of different quality, we show how to compute optimal ones through an integer program (IP) by standard software. In addition, a construction as well as an improvement heuristic are presented. Our computational results show that the heuristics are a very reliable standalone approach to quickly find near-optimal and even optimal handouts. The efficiency of the heuristics is shown via a computational comparison to the IP approach.}, language = {en} } @misc{GottwaldMaherShinano2016, author = {Gottwald, Robert Lion and Maher, Stephen J. and Shinano, Yuji}, title = {Distributed domain propagation}, issn = {1438-0064}, doi = {10.4230/LIPIcs.SEA.2017.6}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61380}, year = {2016}, abstract = {Portfolio parallelization is an approach that runs several solver instances in parallel and terminates when one of them succeeds in solving the problem. Despite it's simplicity portfolio parallelization has been shown to perform well for modern mixed-integer programming (MIP) and boolean satisfiability problem (SAT) solvers. Domain propagation has also been shown to be a simple technique in modern MIP and SAT solvers that effectively finds additional domain reductions after a variables domain has been reduced. This paper investigates the impact of distributed domain propagation in modern MIP solvers that employ portfolio parallelization. Computational experiments were conducted for two implementations of this parallelization approach. While both share global variable bounds and solutions they communicate differently. In one implementation the communication is performed only at designated points in the solving process and in the other it is performed completely asynchronously. Computational experiments show a positive performance impact of communicating global variable bounds and provide valuable insights in communication strategies for parallel solvers.}, language = {en} } @misc{MaherMiltenbergerPedrosoetal.2016, author = {Maher, Stephen J. and Miltenberger, Matthias and Pedroso, Jo{\~a}o Pedro and Rehfeldt, Daniel and Schwarz, Robert and Serrano, Felipe}, title = {PySCIPOpt: Mathematical Programming in Python with the SCIP Optimization Suite}, issn = {1438-0064}, doi = {10.1007/978-3-319-42432-3_37}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61348}, year = {2016}, abstract = {SCIP is a solver for a wide variety of mathematical optimization problems. It is written in C and extendable due to its plug-in based design. However, dealing with all C specifics when extending SCIP can be detrimental to development and testing of new ideas. This paper attempts to provide a remedy by introducing PySCIPOpt, a Python interface to SCIP that enables users to write new SCIP code entirely in Python. We demonstrate how to intuitively model mixed-integer linear and quadratic optimization problems and moreover provide examples on how new Python plug-ins can be added to SCIP.}, language = {en} } @misc{KlebanovSikorskiSchuetteetal.2016, author = {Klebanov, Ilja and Sikorski, Alexander and Sch{\"u}tte, Christof and R{\"o}blitz, Susanna}, title = {Empirical Bayes Methods for Prior Estimation in Systems Medicine}, issn = {1438-0064}, arxiv = {http://arxiv.org/abs/1612.01403}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61307}, year = {2016}, abstract = {One of the main goals of mathematical modelling in systems medicine related to medical applications is to obtain patient-specific parameterizations and model predictions. In clinical practice, however, the number of available measurements for single patients is usually limited due to time and cost restrictions. This hampers the process of making patient-specific predictions about the outcome of a treatment. On the other hand, data are often available for many patients, in particular if extensive clinical studies have been performed. Therefore, before applying Bayes' rule separately to the data of each patient (which is typically performed using a non-informative prior), it is meaningful to use empirical Bayes methods in order to construct an informative prior from all available data. We compare the performance of four priors - a non-informative prior and priors chosen by nonparametric maximum likelihood estimation (NPMLE), by maximum penalized lilelihood estimation (MPLE) and by doubly-smoothed maximum likelihood estimation (DS-MLE) - by applying them to a low-dimensional parameter estimation problem in a toy model as well as to a high-dimensional ODE model of the human menstrual cycle, which represents a typical example from systems biology modelling.}, language = {en} } @misc{SchenkerBorndoerferSkutella2016, author = {Schenker, Sebastian and Bornd{\"o}rfer, Ralf and Skutella, Martin}, title = {A novel partitioning of the set of non-dominated points}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61286}, year = {2016}, abstract = {We consider a novel partitioning of the set of non-dominated points for general multi-objective integer programs with \$k\$ objectives. The set of non-dominated points is partitioned into a set of non-dominated points whose efficient solutions are also efficient for some restricted subproblem with one less objective; the second partition comprises the non-dominated points whose efficient solutions are inefficient for any of the restricted subproblems. We show that the first partition has the nice property that it yields finite rectangular boxes in which the points of the second partition are located.}, language = {en} } @misc{BlancoBorndoerferHoangetal.2016, author = {Blanco, Marco and Bornd{\"o}rfer, Ralf and Hoang, Nam-Dung and Kaier, Anton and Schlechte, Thomas and Schlobach, Swen}, title = {The Shortest Path Problem with Crossing Costs}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61240}, year = {2016}, abstract = {We introduce the shortest path problem with crossing costs (SPPCC), a shortest path problem in a directed graph, in which the objective function is the sum of arc weights and crossing costs. The former are independently paid for each arc used by the path, the latter need to be paid every time the path intersects certain sets of arcs, which we call regions. The SPPCC generalizes not only the classical shortest path problem but also variants such as the resource constrained shortest path problem and the minimum label path problem. We use the SPPCC to model the flight trajectory optimization problem with overflight costs. In this paper, we provide a comprehensive analysis of the problem. In particular, we identify efficient exact and approximation algorithms for the cases that are most relevant in practice.}, language = {en} } @misc{KlebanovSikorskiSchuetteetal.2016, author = {Klebanov, Ilja and Sikorski, Alexander and Sch{\"u}tte, Christof and R{\"o}blitz, Susanna}, title = {Empirical Bayes Methods, Reference Priors, Cross Entropy and the EM Algorithm}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61230}, year = {2016}, abstract = {When estimating a probability density within the empirical Bayes framework, the non-parametric maximum likelihood estimate (NPMLE) usually tends to overfit the data. This issue is usually taken care of by regularization - a penalization term is subtracted from the marginal log-likelihood before the maximization step, so that the estimate favors smooth solutions, resulting in the so-called maximum penalized likelihood estimation (MPLE). The majority of penalizations currently in use are rather arbitrary brute-force solutions, which lack invariance under transformation of the parameters(reparametrization) and measurements. This contradicts the principle that, if the underlying model has several equivalent formulations, the methods of inductive inference should lead to consistent results. Motivated by this principle and using an information-theoretic point of view, we suggest an entropy-based penalization term that guarantees this kind of invariance. The resulting density estimate can be seen as a generalization of reference priors. Using the reference prior as a hyperprior, on the other hand, is argued to be a poor choice for regularization. We also present an insightful connection between the NPMLE, the cross entropy and the principle of minimum discrimination information suggesting another method of inference that contains the doubly-smoothed maximum likelihood estimation as a special case.}, language = {en} } @misc{TycowiczAmbellanMukhopadhyayetal.2016, author = {Tycowicz, Christoph von and Ambellan, Felix and Mukhopadhyay, Anirban and Zachow, Stefan}, title = {A Riemannian Statistical Shape Model using Differential Coordinates}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61175}, year = {2016}, abstract = {We propose a novel Riemannian framework for statistical analysis of shapes that is able to account for the nonlinearity in shape variation. By adopting a physical perspective, we introduce a differential representation that puts the local geometric variability into focus. We model these differential coordinates as elements of a Lie group thereby endowing our shape space with a non-Euclidian structure. A key advantage of our framework is that statistics in a manifold shape space become numerically tractable improving performance by several orders of magnitude over state-of-the-art. We show that our Riemannian model is well suited for the identification of intra-population variability as well as inter-population differences. In particular, we demonstrate the superiority of the proposed model in experiments on specificity and generalization ability. We further derive a statistical shape descriptor that outperforms the standard Euclidian approach in terms of shape-based classification of morphological disorders.}, language = {en} } @misc{SchwartzSchlechteSwarat2016, author = {Schwartz, Stephan and Schlechte, Thomas and Swarat, Elmar}, title = {Designing Inspector Rosters with Optimal Strategies}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61123}, year = {2016}, abstract = {We consider the problem of enforcing a toll on a transportation network with limited inspection resources. We formulate a game theoretic model to optimize the allocation of the inspectors, taking the reaction of the network users into account. The model includes several important aspects for practical operation of the control strategy, such as duty types for the inspectors. In contrast to an existing formulation using flows to describe the users' strategies we choose a path formulation and identify dominated user strategies to significantly reduce the problem size. Computational results suggest that our approach is better suited for practical instances.}, language = {en} } @misc{GamrathGleixnerKochetal.2016, author = {Gamrath, Gerald and Gleixner, Ambros and Koch, Thorsten and Miltenberger, Matthias and Kniasew, Dimitri and Schl{\"o}gel, Dominik and Martin, Alexander and Weninger, Dieter}, title = {Tackling Industrial-Scale Supply Chain Problems by Mixed-Integer Programming}, issn = {1438-0064}, doi = {10.4208/jcm.1905-m2019-0055}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61107}, year = {2016}, abstract = {SAP's decision support systems for optimized supply network planning rely on mixed-integer programming as the core engine to compute optimal or near-optimal solutions. The modeling flexibility and the optimality guarantees provided by mixed-integer programming greatly aid the design of a robust and future-proof decision support system for a large and diverse customer base. In this paper we describe our coordinated efforts to ensure that the performance of the underlying solution algorithms matches the complexity of the large supply chain problems and tight time limits encountered in practice.}, language = {en} } @misc{HillerSaitenmacherWalther2016, author = {Hiller, Benjamin and Saitenmacher, Ren{\´e} and Walther, Tom}, title = {Analysis of operating modes of complex compressor stations}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61092}, year = {2016}, abstract = {We consider the modeling of operation modes for complex compressor stations (i.e., ones with several in- or outlets) in gas networks. In particular, we propose a refined model that allows to precompute tighter relaxations for each operation mode. These relaxations may be used to strengthen the compressor station submodels in gas network optimization problems. We provide a procedure to obtain the refined model from the input data for the original model.}, language = {en} } @misc{WitzigBertholdHeinz2016, author = {Witzig, Jakob and Berthold, Timo and Heinz, Stefan}, title = {Experiments with Conflict Analysis in Mixed Integer Programming}, issn = {1438-0064}, doi = {10.1007/978-3-319-59776-8_17}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61087}, year = {2016}, abstract = {The analysis of infeasible subproblems plays an import role in solving mixed integer programs (MIPs) and is implemented in most major MIP solvers. There are two fundamentally different concepts to generate valid global constraints from infeasible subproblems. The first is to analyze the sequence of implications obtained by domain propagation that led to infeasibility. The result of the analysis is one or more sets of contradicting variable bounds from which so-called conflict constraints can be generated. This concept has its origin in solving satisfiability problems and is similarly used in constraint programming. The second concept is to analyze infeasible linear programming (LP) relaxations. The dual LP solution provides a set of multipliers that can be used to generate a single new globally valid linear constraint. The main contribution of this short paper is an empirical evaluation of two ways to combine both approaches. Experiments are carried out on general MIP instances from standard public test sets such as Miplib2010; the presented algorithms have been implemented within the non-commercial MIP solver SCIP. Moreover, we present a pool-based approach to manage conflicts which addresses the way a MIP solver traverses the search tree better than aging strategies known from SAT solving.}, language = {en} } @misc{CheungGleixnerSteffy2016, author = {Cheung, Kevin K. H. and Gleixner, Ambros and Steffy, Daniel}, title = {Verifying Integer Programming Results}, issn = {1438-0064}, doi = {10.1007/978-3-319-59250-3_13}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-61044}, year = {2016}, abstract = {Software for mixed-integer linear programming can return incorrect results for a number of reasons, one being the use of inexact floating-point arithmetic. Even solvers that employ exact arithmetic may suffer from programming or algorithmic errors, motivating the desire for a way to produce independently verifiable certificates of claimed results. Due to the complex nature of state-of-the-art MILP solution algorithms, the ideal form of such a certificate is not entirely clear. This paper proposes such a certificate format, illustrating its capabilities and structure through examples. The certificate format is designed with simplicity in mind and is composed of a list of statements that can be sequentially verified using a limited number of simple yet powerful inference rules. We present a supplementary verification tool for compressing and checking these certificates independently of how they were created. We report computational results on a selection of mixed-integer linear programming instances from the literature. To this end, we have extended the exact rational version of the MIP solver SCIP to produce such certificates.}, language = {en} } @misc{WinkelmannSchuette2016, author = {Winkelmann, Stefanie and Sch{\"u}tte, Christof}, title = {The spatiotemporal master equation: approximation of reaction-diffusion dynamics via Markov state modeling}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60999}, year = {2016}, abstract = {Accurate modeling and numerical simulation of reaction kinetics is a topic of steady interest. We consider the spatiotemporal chemical master equation (ST-CME) as a model for stochastic reaction-diffusion systems that exhibit properties of metastability. The space of motion is decomposed into metastable compartments and diffusive motion is approximated by jumps between these compartments. Treating these jumps as first-order reactions, simulation of the resulting stochastic system is possible by the Gillespie method. We present the theory of Markov state models (MSM) as a theoretical foundation of this intuitive approach. By means of Markov state modeling, both the number and shape of compartments and the transition rates between them can be determined. We consider the ST-CME for two reaction-diffusion systems and compare it to more detailed models. Moreover, a rigorous formal justification of the ST-CME by Galerkin projection methods is presented.}, language = {en} } @misc{Winkelmann2016, author = {Winkelmann, Stefanie}, title = {Markov Control with Rare State Observation: Average Optimality}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60981}, year = {2016}, abstract = {This paper investigates the criterion of long-term average costs for a Markov decision process (MDP) which is not permanently observable. Each observation of the process produces a fixed amount of \textit{information costs} which enter the considered performance criterion and preclude from arbitrarily frequent state testing. Choosing the \textit{rare} observation times is part of the control procedure. In contrast to the theory of partially observable Markov decision processes, we consider an arbitrary continuous-time Markov process on a finite state space without further restrictions on the dynamics or the type of interaction. Based on the original Markov control theory, we redefine the control model and the average cost criterion for the setting of information costs. We analyze the constant of average costs for the case of ergodic dynamics and present an optimality equation which characterizes the optimal choice of control actions and observation times. For this purpose, we construct an equivalent freely observable MDP and translate the well-known results from the original theory to the new setting.}, language = {en} } @misc{SchwartzBorndoerferBartz2016, author = {Schwartz, Stephan and Bornd{\"o}rfer, Ralf and Bartz, Gerald}, title = {The Graph Segmentation Problem}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60750}, year = {2016}, abstract = {We investigate a graph theoretical problem arising in the automatic billing of a network toll. Given a network and a family of user paths, we study the graph segmentation problem (GSP) to cover parts of the user paths by a set of disjoint segments. The GSP is shown to be NP-hard but for special cases it can be solved in polynomial time. We also show that the marginal utility of a segment is bounded. Computational results for real-world instances show that in practice the problem is more amenable than the theoretic bounds suggest.}, language = {en} } @misc{NoackWendeZitzlsbergeretal.2016, author = {Noack, Matthias and Wende, Florian and Zitzlsberger, Georg and Klemm, Michael and Steinke, Thomas}, title = {KART - A Runtime Compilation Library for Improving HPC Application Performance}, issn = {1438-0064}, doi = {10.1007/978-3-319-67630-2_29}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60730}, year = {2016}, abstract = {The effectiveness of ahead-of-time compiler optimization heavily depends on the amount of available information at compile time. Input-specific information that is only available at runtime cannot be used, although it often determines loop counts, branching predicates and paths, as well as memory-access patterns. It can also be crucial for generating efficient SIMD-vectorized code. This is especially relevant for the many-core architectures paving the way to exascale computing, which are more sensitive to code-optimization. We explore the design-space for using input-specific information at compile-time and present KART, a C++ library solution that allows developers to compile, link, and execute code (e.g., C, C++ , Fortran) at application runtime. Besides mere runtime compilation of performance-critical code, KART can be used to instantiate the same code multiple times using different inputs, compilers, and options. Other techniques like auto-tuning and code-generation can be integrated into a KART-enabled application instead of being scripted around it. We evaluate runtimes and compilation costs for different synthetic kernels, and show the effectiveness for two real-world applications, HEOM and a WSM6 proxy.}, language = {en} } @misc{WeiserGhosh2016, author = {Weiser, Martin and Ghosh, Sunayana}, title = {Theoretically optimal inexact SDC methods}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-53140}, year = {2016}, abstract = {In several inital value problems with particularly expensive right hand side computation, there is a trade-off between accuracy and computational effort in evaluating the right hand sides. We consider inexact spectral deferred correction (SDC) methods for solving such non-stiff initial value problems. SDC methods are interpreted as fixed point iterations and, due to their corrective iterative nature, allow to exploit the accuracy-work-tradeoff for a reduction of the total computational effort. On one hand we derive an error model bounding the total error in terms of the right hand side evaluation errors. On the other hand, we define work models describing the computational effort in terms of the evaluation accuracy. Combining both, a theoretically optimal tolerance selection is worked out by minimizing the total work subject to achieving the requested tolerance.}, language = {en} } @misc{Pulaj2016, author = {Pulaj, Jonad}, title = {Cutting Planes for Families Implying Frankl's Conjecture}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60626}, year = {2016}, abstract = {We find previously unknown families which imply Frankl's conjecture using an algorithmic framework. The conjecture states that for any non-empty union-closed (or Frankl) family there exists an element in at least half of the sets. Poonen's Theorem characterizes the existence of weights which determine whether a given Frankl family implies the conjecture for all Frankl families which contain it. A Frankl family is Non-Frankl-Complete (Non-FC), if it does not imply the conjecture in its elements for some Frankl family that contains it. We design a cutting-plane method that computes the explicit weights which imply the existence conditions of Poonen's Theorem. This method allows us to find a counterexample to a ten-year-old conjecture by R. Morris about the structure of generators for Non-FC-families.}, language = {en} } @misc{Sali2016, author = {Sali, Adrian}, title = {Coupling of Monodomain and Eikonal Models for Cardiac Electrophysiology}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60508}, year = {2016}, abstract = {The primary goal of this paper is to study the coupling of monodomain and eikonal models for the numerical simulation of cardiac electrophysiology. Eikonal models are nonlinear elliptic equations describing the excitation time of the cardiac tissue. They are often used as very fast approximations for monodomain or bidomain models - parabolic reaction-diffusion systems describing the excitation wavefront in terms of ionic currents. The excitation front is a thin region with high gradients, whereas excitation times vary over larger domains. Hence, eikonal equations can be solved on much coarser grids than monodomain equations. Moreover, as eikonal models are not time-dependent, no time integration is needed. Eikonal models are derived from monodomain models making additional assumptions and using certain approximations. While generally the approximation is rather good, several specific situations are not well captured by eikonal models. We consider coupling the two models, i.e. using the monodomain model in regions where more accurate results or the shape of the wavefront are needed, and the eikonal model in the remaining parts of the domain, where the excitation time is sufficient. Restricting the monodomain simulation to a small subdomain reduces the computational effort considerably. Numerical methods for the simulation of the individual models are presented, with the finite element method as the main ingredient. Coupling conditions as well as algorithms for implementing the coupling are explained. The approximation quality and efficiency of the coupled model is illustrated on simple geometries using an Aliev-Panfilov membrane model.}, language = {en} } @misc{FischerGrimmKlugetal.2016, author = {Fischer, Frank and Grimm, Boris and Klug, Torsten and Schlechte, Thomas}, title = {A Re-optimization Approach for Train Dispatching}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60493}, year = {2016}, abstract = {The Train Dispatching Problem (TDP) is to schedule trains through a network in a cost optimal way. Due to disturbances during operation existing track allocations often have to be re-scheduled and integrated into the timetable. This has to be done in seconds and with minimal timetable changes to guarantee smooth and conflict free operation. We present an integrated modeling approach for the re-optimization task using Mixed Integer Programming. Finally, we provide computational results for scenarios provided by the INFORMS RAS Problem Soling Competition 2012.}, language = {en} } @misc{RehfeldtKochMaher2016, author = {Rehfeldt, Daniel and Koch, Thorsten and Maher, Stephen J.}, title = {Reduction Techniques for the Prize-Collecting Steiner Tree Problem and the Maximum-Weight Connected Subgraph Problem}, issn = {1438-0064}, doi = {10.1002/net.21857}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60420}, year = {2016}, abstract = {The concept of reduction has frequently distinguished itself as a pivotal ingredient of exact solving approaches for the Steiner tree problem in graphs. In this paper we broaden the focus and consider reduction techniques for three Steiner problem variants that have been extensively discussed in the literature and entail various practical applications: The prize-collecting Steiner tree problem, the rooted prize-collecting Steiner tree problem and the maximum-weight connected subgraph problem. By introducing and subsequently deploying numerous new reduction methods, we are able to drastically decrease the size of a large number of benchmark instances, already solving more than 90 percent of them to optimality. Furthermore, we demonstrate the impact of these techniques on exact solving, using the example of the state-of-the-art Steiner problem solver SCIP-Jack.}, language = {en} } @misc{Tesch2016, author = {Tesch, Alexander}, title = {Exact Energetic Reasoning in O(n^2 log^2 n)}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60367}, year = {2016}, abstract = {In this paper, we address the Energetic Reasoning propagation rule for the Cumulative Scheduling Problem (CuSP). An energetic reasoning propagation algorithm is called exact, if it computes the maximum possible energetic reasoning propagation for all the jobs. The currently best known exact energetic reasoning algorithm has complexity O(n^3). In this paper, we present a new exact energetic reasoning propagation algorithm with improved complexity of O(n^2 \log^2 n).}, language = {en} } @misc{AchterbergBixbyGuetal.2016, author = {Achterberg, Tobias and Bixby, Robert E. and Gu, Zonghao and Rothberg, Edward and Weninger, Dieter}, title = {Presolve Reductions in Mixed Integer Programming}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60370}, year = {2016}, abstract = {Mixed integer programming has become a very powerful tool for modeling and solving real-world planning and scheduling problems, with the breadth of applications appearing to be almost unlimited. A critical component in the solution of these mixed-integer programs is a set of routines commonly referred to as presolve. Presolve can be viewed as a collection of preprocessing techniques that reduce the size of and, more importantly, improve the ``strength'' of the given model formulation, that is, the degree to which the constraints of the formulation accurately describe the underlying polyhedron of integer-feasible solutions. As our computational results will show, presolve is a key factor in the speed with which we can solve mixed-integer programs, and is often the difference between a model being intractable and solvable, in some cases easily solvable. In this paper we describe the presolve functionality in the Gurobi commercial mixed-integer programming code. This includes an overview, or taxonomy of the different methods that are employed, as well as more-detailed descriptions of several of the techniques, with some of them appearing, to our knowledge, for the first time in the literature.}, language = {en} } @misc{BorndoerferHoppmannKarbsteinetal.2016, author = {Bornd{\"o}rfer, Ralf and Hoppmann, Heide and Karbstein, Marika and L{\"o}bel, Fabian}, title = {The Modulo Network Simplex with Integrated Passenger Routing}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60319}, year = {2016}, abstract = {Periodic timetabling is an important strategic planning problem in public transport. The task is to determine periodic arrival and departure times of the lines in a given network, minimizing the travel time of the passengers. We extend the modulo network simplex method, a well-established heuristic for the periodic timetabling problem, by integrating a passenger (re)routing step into the pivot operations. Computations on real-world networks show that we can indeed find timetables with much shorter total travel time, when we take the passengers' travel paths into consideration.}, language = {en} } @misc{LieSullivan2016, author = {Lie, Han Cheng and Sullivan, T. J.}, title = {Cameron--Martin theorems for sequences of Cauchy-distributed random variables}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-60230}, year = {2016}, abstract = {Given a sequence of Cauchy-distributed random variables defined by a sequence of location parameters and a sequence of scale parameters, we consider another sequence of random variables that is obtained by perturbing the location or scale parameter sequences. Using a result of Kakutani on equivalence of infinite product measures, we provide sufficient conditions for the equivalence of laws of the two sequences.}, language = {en} }