Bibliothek

Beschreibung: This article introduces new preprocessing techniques for the Steiner tree problem in graphs and one of its most popular relatives, the maximum-weight connected subgraph problem. Several of the techniques generalize previous results from the literature. The correctness of the new methods is shown, but also their NP-hardness is demonstrated. Despite this pessimistic worst-case complexity, several relaxations are discussed that are expected to allow for a strong practical efficiency of these techniques in strengthening both exact and heuristic solving approaches.

Beschreibung: Compressor machines are crucial elements in a gas transmission network, required to compensate for the pressure loss caused by friction in the pipes. Modelling all physical and technical details of a compressor machine involves a large amount of nonlinearity, which makes it hard to use such models in the optimization of large-scale gas networks. In this paper, we are going to describe a modelling approach for the operating range of a compressor machine, starting from a physical reference model and resulting in a polyhedral representation in the 3D space of mass flow throughput as well as in- and outlet pressure.

Beschreibung: Consensus (agreement on a value) is regarded as a fundamental primitive in the design of fault tolerant distributed systems. A well-known solution to the consensus problem is Paxos. Extensions of the Paxos algorithm make it possible to reach agreement on a sequence of commands which can then be applied on a replicated state. However, concurrently proposed commands can create conflicts that must be resolved by ordering them. This thesis delivers an in-depth description of a Paxos-based algorithm to establish such command sequences, called Paxos Round Based Register (PRBR). In contrast to conventional approaches like Multi-Paxos, PRBR can manage multiple command sequences independently. Furthermore, each sequence is established in-place, which eliminates the need for managing multiple Paxos instances. PRBR is extended as part of this thesis to exploit the commutativity of concurrently proposed commands. As a result, conflict potential can be greatly reduced which increases the number of commands that can be handled by PRBR. This is shown for a number of workloads in an experimental evaluation.

Beschreibung: We propose (Mixed Integer) Second Order Cone Programming formulations to find approximate and exact $D-$optimal designs for $2^k$ factorial experiments for Generalized Linear Models (GLMs). Locally optimal designs are addressed with Second Order Cone Programming (SOCP) and Mixed Integer Second Order Cone Programming (MISOCP) formulations. The formulations are extended for scenarios of parametric uncertainty employing the Bayesian framework for \emph{log det} $D-$optimality criterion. A quasi Monte-Carlo sampling procedure based on the Hammersley sequence is used for integrating the optimality criterion in the parametric region. The problems are solved in \texttt{GAMS} environment using \texttt{CPLEX} solver. We demonstrate the application of the algorithm with the logistic, probit and complementary log-log models and consider full and fractional factorial designs.

Beschreibung: Recently, parallel computing environments have become significantly popular. In order to obtain the benefit of using parallel computing environments, we have to deploy our programs for these effectively. This paper focuses on a parallelization of SCIP (Solving Constraint Integer Programs), which is a mixed-integer linear programming solver and constraint integer programming framework available in source code. There is a parallel extension of SCIP named ParaSCIP, which parallelizes SCIP on massively parallel distributed memory computing environments. This paper describes FiberSCIP, which is yet another parallel extension of SCIP to utilize multi-threaded parallel computation on shared memory computing environments, and has the following contributions: First, we present the basic concept of having two parallel extensions, and the relationship between them and the parallelization framework provided by UG (Ubiquity Generator), including an implementation of deterministic parallelization. Second, we discuss the difficulties in achieving a good performance that utilizes all resources on an actual computing environment, and the difficulties of performance evaluation of the parallel solvers. Third, we present a way to evaluate the performance of new algorithms and parameter settings of the parallel extensions. Finally, we demonstrate the current performance of FiberSCIP for solving mixed-integer linear programs (MIPs) and mixed-integer nonlinear programs (MINLPs) in parallel.

Beschreibung: The simulation data has been produced by Vedat Durmaz, Peggy Sabri and Marco Reidelbach inside the "Computational Molecular Design" Group headed by Marcus Weber at Zuse-Institut Berlin, Takustr. 7, D-14195 Berlin, Germany. The file contains classical simulation data for different fentanyl derivates in the MOR binding pocket at different pHs. It also includes instruction files for quantum-chemical pKa-value estimations and a description of how we derived the pKa-values from the Gaussian09 log-files.

Beschreibung: 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 MIP solution algorithms, the ideal form of such a certificate is not entirely clear. This paper proposes such a certificate format designed with simplicity in mind, which is composed of a list of statements that can be sequentially verified using a limited number of 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 MIP instances from the literature. To this end, we have extended the exact rational version of the MIP solver SCIP to produce such certificates.

Beschreibung: Frankl’s (union-closed sets) conjecture states that for any nonempty finite union-closed (UC) family of distinct sets there exists an element in at least half of the sets. Poonen’s Theorem characterizes the existence of weights which determine whether a given UC family ensures Frankl’s conjecture holds for all UC families which contain it. The weight systems are nontrivial to identify for a given UC family, and methods to determine such weight systems have led to several other open questions and conjectures regarding structures in UC families. We design a cutting-plane method that computes the explicit weights which imply the existence conditions of Poonen’s Theorem using computational integer programming coupled with redundant verification routines that ensure correctness. We find over one hundred previously unknown families of sets which ensure Frankl’s conjecture holds for all families that contain any of them. This improves significantly on all previous results of the kind. Our framework allows us to answer several open questions and conjectures regarding structural properties of UC families, including proving the 3-sets conjecture of Morris from 2006 which characterizes the minimum number of 3-sets that ensure Frankl’s conjecture holds for all families that contain them. Furthermore, our method provides a general algorithmic road-map for improving other known results and uncovering structures in UC families.

Beschreibung: We present a new strategy for the direct optimization of the values of policy functions. This approach is particularly well suited to model actors with a global perspective on the system and relies heavily on modern mathematical white-box optimization methods. We demonstrate our strategy on two classical models: market growth and World2. Each model is first transformed into an optimization problem by defining how the actor can influence the models' dynamics and by choosing objective functions to measure improvements. To improve comparability between different runs, we also introduce a comparison measure for possible interventions. We solve the optimization problems, discuss the resulting policies and compare them to the existing results from the literature. In particular, we present a run of the World2 model which significantly improves the published “towards a global equilibrium” run with equal cost of intervention.

Beschreibung: Current linear energy system models (ESM) acquiring to provide sufficient detail and reliability frequently bring along problems of both high intricacy and increasing scale. Unfortunately, the size and complexity of these problems often prove to be intractable even for commercial state-of-the-art linear programming solvers. This article describes an interdisciplinary approach to exploit the intrinsic structure of these large-scale linear problems to be able to solve them on massively parallel high-performance computers. A key aspect are extensions to the parallel interior-point solver PIPS-IPM originally developed for stochastic optimization problems. Furthermore, a newly developed GAMS interface to the solver as well as some GAMS language extensions to model block-structured problems will be described.

Beschreibung: This study investigates how to model and solve the problem of optimally designing FTTx telecommunications access networks integrating wired and wireless technologies, while taking into account the uncertainty of wireless signal propagation. We propose an original robust optimization model for the related robust 3-architecture Connected Facility Location problem, which includes additional variables and constraints to model wireless signal coverage represented through signal-to-interference ratios. Since the resulting robust problem can prove very challenging even for a modern state-of-the art optimization solver, we propose to solve it by an original primal heuristic that combines a probabilistic variable fixing procedure, guided by peculiar Linear Programming relaxations, with a Mixed Integer Programming heuristic, based on an exact very large neighborhood search. A numerical study carried out on a set of realistic instances show that our heuristic can find solutions of much higher quality than a state-of-the-art solver.

Beschreibung: This article outlines the submission to the CATARACTS challenge for automatic tool presence detection [1]. Our approach for this multi-label classification problem comprises labelset-based sampling, a CNN architecture and temporal smothing as described in [3], which we call ZIB-Res-TS.

Beschreibung: This thesis covers the development and application of an empirical Bayes method to the problem of parameter estimation in systems biology. The goal was to provide a general and practical solution to the Bayesian inverse problem in the case of high dimensional parameter spaces making use of present cohort-data. We show that the maximum penalized likelihood estimator (MPLE) with information penalty is based on natural, information-theoretic considerations and admits the desirable property of transformation invariance. Due to its concavity, the objective function is computationally feasible and its mesh-free Monte-Carlo approximation enables its application to high-dimensional problems eluding the curse of dimensionality. We furthermore show how to apply the developed methods to a real world problem by the means of Markov chain Monte-Carlo sampling (MCMC), affirming its proficiency in a practical scenario.

Beschreibung: Consensus (agreement on a value) is regarded as a fundamental primitive in the design of fault tolerant distributed systems. A well-known solution to the consensus problem is Paxos. Extensions of the Paxos algorithm make it possible to reach agreement on a sequence of commands which can then be applied on a replicated state. However, concurrently proposed commands can create conflicts that must be resolved by ordering them. This thesis delivers an in-depth description of a Paxos-based algorithm to establish such command sequences, called Paxos Round Based Register (PRBR). In contrast to conventional approaches like Multi-Paxos, PRBR can manage multiple command sequences independently. Furthermore, each sequence is established in-place, which eliminates the need for managing multiple Paxos instances. PRBR is extended as part of this thesis to exploit the commutativity of concurrently proposed commands. As a result, conflict potential can be greatly reduced which increases the number of commands that can be handled by PRBR. This is shown for a number of workloads in an experimental evaluation.

Beschreibung: This paper develops meshless methods for probabilistically describing discretisation error in the numerical solution of partial differential equations. This construction enables the solution of Bayesian inverse problems while accounting for the impact of the discretisation of the forward problem. In particular, this drives statistical inferences to be more conservative in the presence of significant solver error. Theoretical results are presented describing rates of convergence for the posteriors in both the forward and inverse problems. This method is tested on a challenging inverse problem with a nonlinear forward model

Beschreibung: We consider the application of active subspaces to inform a Metropolis-Hastings algorithm, thereby aggressively reducing the computational dimension of the sampling problem. We show that the original formulation, as proposed by Constantine, Kent, and Bui-Thanh (SIAM J. Sci. Comput., 38(5):A2779-A2805, 2016), possesses asymptotic bias. Using pseudo-marginal arguments, we develop an asymptotically unbiased variant. Our algorithm is applied to a synthetic multimodal target distribution as well as a Bayesian formulation of a parameter inference problem for a Lorenz-96 system.

Beschreibung: We propose kernel sequential Monte Carlo (KSMC), a framework for sampling from static target densities. KSMC is a family of sequential Monte Carlo algorithms that are based on building emulator models of the current particle system in a reproducing kernel Hilbert space. We here focus on modelling nonlinear covariance structure and gradients of the target. The emulator's geometry is adaptively updated and subsequently used to inform local proposals. Unlike in adaptive Markov chain Monte Carlo, continuous adaptation does not compromise convergence of the sampler. KSMC combines the strengths of sequental Monte Carlo and kernel methods: superior performance for multimodal targets and the ability to estimate model evidence as compared to Markov chain Monte Carlo, and the emulator's ability to represent targets that exhibit high degrees of nonlinearity. As KSMC does not require access to target gradients, it is particularly applicable on targets whose gradients are unknown or prohibitively expensive. We describe necessary tuning details and demonstrate the benefits of the the proposed methodology on a series of challenging synthetic and real-world examples.

Beschreibung: We consider complex dynamical systems showing metastable behavior but no local separation of fast and slow time scales. The article raises the question of whether such systems exhibit a low-dimensional manifold supporting its effective dynamics. For answering this question, we aim at finding nonlinear coordinates, called reaction coordinates, such that the projection of the dynamics onto these coordinates preserves the dominant time scales of the dynamics. We show that, based on a specific reducibility property, the existence of good low-dimensional reaction coordinates preserving the dominant time scales is guaranteed. Based on this theoretical framework, we develop and test a novel numerical approach for computing good reaction coordinates. The proposed algorithmic approach is fully local and thus not prone to the curse of dimension with respect to the state space of the dynamics. Hence, it is a promising method for data-based model reduction of complex dynamical systems such as molecular dynamics.

Beschreibung: In dieser Arbeit betrachten wir das Problem, für den Fahrplan eines (Nah-) Verkehrsnetzes schnellste Wege zu berechnen. Da die Verkehrsmittel zu unterschiedlichen Zeiten von den einzelnen Haltestellen/Bahnhöfen abfahren, kann das Problem nicht ohne Weiteres mit einem „statischen“ Graphen modelliert werden. Es gibt zwei unterschiedliche Ansätze für dieses zeitabhängige Problem: Erstens können die verschiedenen An-/Abfahrtereignisse an einem Halt durch „Kopien“ dargestellt werden, das ist das zeit-expandierte Modell. Zweitens können die Gewichte der Kanten zeitabhängig sein, das ist das zeitabhängige Modell. Wir untersuchen in dieser Arbeit, wie der „klassische“ Dijkstra-Algorithmus und der A* Algorithmus mit einer geeigneten Heuristik im Vergleich abschneiden. Die gewählte Heuristik ist der Abstand zum Zielknoten, wenn die Abfahrtszeiten ignoriert werden. Nach unseren Untersuchungen zeigt sich, dass der A* Algorithmus dem Dijkstra-Algorithmus weit überlegen ist für genügend große Nahverkehrsnetze. Wir testen anhand der echten Verkehrsnetze von Berlin und Aachen. Unsere Berechnungen zeigen, dass die gewählte Heuristik besonders gut ist für Start- und Zielknoten, welche unabhängig von ihrer Distanz nur 1–2 verschiedene mögliche kürzeste Pfade für alle Zeitschritte haben. Dort ist der A* Algorithmus bis zu 20-mal schneller. Dies kommt aber nicht häufig in unseren Testinstanzen vor. Die einzelnen Laufzeitvergleich zeigen, dass der A* Algorithmus durchschnittlich 7-mal so schnell ist wie der Dikstra-Algorithmus.

Beschreibung: Common models and solving approaches for the problem of periodic timetabling, that is, determining periodic arrival and departure times of a given public transportation network’s lines so that the total weighted travel time of all passengers is minimized, fail to take passenger behavior into account. Current research is attempting to resolve this issue and first results show a positive impact on solution quality. This thesis aims to give a brief overview of literature on the topic of timetabling and to then state a heuristic approach to Integrated Timetabling by blending passenger behavior into the Modulo Network Simplex algorithm, which is part of the research carried out by the author’s study group at the Zuse Institut Berlin in the framework of MATHEON’s research project MI-3 supported by the Einstein Foundation Berlin.

Beschreibung: We describe a network simplex algorithm for the minimum cost flow problem on graph-based hypergraphs which are directed hypergraphs of a particular form occurring in railway rotation planning. The algorithm is based on work of Cambini, Gallo, and Scutellà who developed a hypergraphic generalization of the network simplex algorithm. Their main theoretical result is the characterization of basis matrices. We give a similar characterization for graph-based hypergraphs and show that some operations of the simplex algorithm can be done combinatorially by exploiting the underlying digraph structure.

Beschreibung: Although intensively studied in recent years, the optimization of the transient (time-dependent) control of large real-world gas networks is still out of reach for current state-of-the-art approaches. For this reason, we present further simplifications of the commonly used model, which lead to a linear description of the gas flow on pipelines. In an empirical analysis of real-world data, we investigate the properties of the involved quantities and evaluate the errors made by our simplification.

Beschreibung: Let G be a directed acyclic graph with n arcs, a source s and a sink t. We introduce the cone K of flow matrices, which is a polyhedral cone generated by the matrices $\vec{1}_P\vec{1}_P^T\in\RR^{n\times n}$, where $\vec{1}_P\in\RR^n$ is the incidence vector of the (s,t)-path P. We show that several hard flow (or path) optimization problems, that cannot be solved by using the standard arc-representation of a flow, reduce to a linear optimization problem over $\mathcal{K}$. This cone is intractable: we prove that the membership problem associated to $\mathcal{K}$ is NP-complete. However, the affine hull of this cone admits a nice description, and we give an algorithm which computes in polynomial-time the decomposition of a matrix $X\in \operatorname{span} \mathcal{K}$ as a linear combination of some $\vec{1}_P\vec{1}_P^T$'s. Then, we provide two convergent approximation hierarchies, one of them based on a completely positive representation of~K. We illustrate this approach by computing bounds for the quadratic shortest path problem, as well as a maximum flow problem with pairwise arc-capacities.

Beschreibung: The helicity of light is of great interest in both fundamental research and in applications such as dichroism spectroscopy. Its time-harmonic formulation is directly proportional to the density of optical chirality. Recently, both an helicity optical theorem (HOT) and a chirality conservation law (CCL) have been formulated for arbitrary scatterers taking into account an underlying continuity equation of this quantity. We summarize these two equivalent fundamental laws and analyze their potential applications.

Beschreibung: The task of the train timetabling problem or track allocation problem is to find conflict free schedules for a set of trains with predefined routes in a railway network. Especially for non-periodic instances models based on time expanded networks are often used. Unfortunately, the linear programming relaxation of these models is often extremely weak because these models do not describe combinatorial relations like overtaking possibilities very well. In this paper we extend the model by so called connected configuration subproblems. These subproblems perfectly describe feasible schedules of a small subset of trains (2-3) on consecutive track segments. In a Lagrangian relaxation approach we solve several of these subproblems together in order to produce solutions which consist of combinatorially compatible schedules along the track segments. The computational results on a mostly single track corridor taken from the INFORMS RAS Problem Solving Competition 2012 data indicate that our new solution approach is rather strong. Indeed, for this instance the solution of the Lagrangian relaxation is already integral.

Beschreibung: Modern mixed-integer programming (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 distinct 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 behaviour of the non-commercial MIP solver Scip at the predicted phase transition points.

Beschreibung: Primal heuristics play an important role in the solving of mixed integer programs (MIPs). They often provide good feasible solutions early in the solving process and help to solve instances to optimality faster. In this paper, we present a scheme for primal start heuristics that can be executed without previous knowledge of an LP solution or a previously found integer feasible solution. It uses global structures available within MIP solvers to iteratively fix integer variables and propagate these fixings. Thereby, fixings are determined based on the predicted impact they have on the subsequent domain propagation. If sufficiently many variables can be fixed that way, the resulting problem is solved as an LP and the solution is rounded. If the rounded solution did not provide a feasible solution already, a sub-MIP is solved for the neighborhood defined by the variable fixings performed in the first phase. The global structures help to define a neighborhood that is with high probability significantly easier to process while (hopefully) still containing good feasible solutions. We present three primal heuristics that use this scheme based on different global structures. Our computational experiments on standard MIP test sets show that the proposed heuristics find solutions for about three out of five instances and therewith help to improve several performance measures for MIP solvers, including the primal integral and the average solving time.

Beschreibung: Rolling stock optimization is a task that naturally arises by operating a railway system. It could be seen with different level of details. From a strategic perspective to have a rough plan which types of fleets to be bought to a more operational perspective to decide which coaches have to be maintained first. This paper presents a new approach to deal with rolling stock optimisation in case of a (long term) strike. Instead of constructing a completely new timetable for the strike period, we propose a mixed integer programming model that is able to choose appropriate trips from a given timetable to construct efficient tours of railway vehicles covering an optimized subset of trips, in terms of deadhead kilometers and importance of the trips. The decision which trip is preferred over the other is made by a simple evaluation method that is deduced from the network and trip defining data.

Beschreibung: For writing a new scientific application, portability across existing and future hardware should be the major design goal, as there is a multitude of different compute devices, and programme codes typically outlive systems by far. Unlike other programming models that address parallelism or heterogeneity, OpenCL does provide practical portability across a wide range of HPC-relevant architectures. Other than that, it has a range of further advantages like being a library-only implementation, and using runtime kernel-compilation. We present experiences with utilising OpenCL alongside C++, MPI, and CMake in two real-world scientific codes. Our targets are a Cray XC40 supercomputer with multi- and many-core (Xeon Phi) CPUs, as well as multiple smaller systems with Nvidia and AMD GPUs. We shed light on practical issues arising in such a scenario, like the interaction between OpenCL and MPI, discuss solutions, and point out current limitations of OpenCL in the domain of scientific HPC from an application developer's and user's point of view.

Beschreibung: This paper gives a concise synopsis and some new insights concerning four affine invariant globalizations of the local Newton method. The invariance classes include: affine covariance, affine contravariance, affine conjugacy, and affine similarity. In view of algorithmic robustness, each of these classes of algorithms is particularly suitable for some corresponding problem class.

Beschreibung: The identification of meaningful reaction coordinates plays a key role in the study of complex molecular systems whose essential dynamics is characterized by rare or slow transition events. In a recent publication, the authors identified a condition under which such reaction coordinates exist - the existence of a so-called transition manifold - and proposed a numerical method for their point-wise computation that relies on short bursts of MD simulations. This article represents an extension of the method towards practical applicability in computational chemistry. It describes an alternative computational scheme that instead relies on more commonly available types of simulation data, such as single long molecular trajectories, or the push-forward of arbitrary canonically-distributed point clouds. It is based on a Galerkin approximation of the transition manifold reaction coordinates, that can be tuned to individual requirements by the choice of the Galerkin ansatz functions. Moreover, we propose a ready-to-implement variant of the new scheme, that computes data-fitted, mesh-free ansatz functions directly from the available simulation data. The efficacy of the new method is demonstrated on a realistic peptide system.

Beschreibung: An algorithm based on a delayed constraint generation method for solving semi-infinite programs for constructing minimax optimal designs for nonlinear models is proposed. The outer optimization level of the minimax optimization problem is solved using a semidefinite programming based approach that requires the design space be discretized. A nonlinear programming solver is then used to solve the inner program to determine the combination of the parameters that yields the worst-case value of the design criterion. The proposed algorithm is applied to find minimax optimal designs for the logistic model, the flexible 4-parameter Hill homoscedastic model and the general nth order consecutive reaction model, and shows that it (i) produces designs that compare well with minimax $D-$optimal designs obtained from semi-infinite programming method in the literature; (ii) can be applied to semidefinite representable optimality criteria, that include the common A-, E-,G-, I- and D-optimality criteria; (iii) can tackle design problems with arbitrary linear constraints on the weights; and (iv) is fast and relatively easy to use.

Beschreibung: Spectral deferred correction (SDC) Methoden, vorgestellt von Dutt, Greengard und Rokhlin in [1], sind iterative Verfahren zur numerischen Lösung von Anfangswertproblemen für gewöhnliche Differentialgleichungen. Wenn diese Methoden konvergieren, dann wird unter Verwendung von Zeitschrittverfahren niedriger Ordnung eine Kollokationslösung berechnet. Die Lösung von steifen Anfangswertproblemen ist eine relevante Problemstellung in der numerischen Mathematik. SDC-Methoden, speziell für steife Probleme, werden von Martin Weiser in [2] konstruiert. Die Theorie und die Experimente beziehen sich dabei auf Probleme, die aus räumlich semidiskretisierten Reaktions-Diffusions-Gleichungen entstehen. In dieser Arbeit werden die Ansätze aus [2] auf Konvektions-Diffusions-Gleichungen angewendet und das resultierende Konvergenzverhalten von SDC-Methoden untersucht. Basierend auf einem einfachen Konvektions-Diffusions-Operator, dessen spektrale Eigenschaften umfassend studiert werden, wird ein Schema zur Verbesserung dieses Verhaltens entwickelt. Numerische Experimente zeigen, dass eine Verbesserung der in [1] eingeführten SDC-Methoden möglich ist. Die Untersuchungen ergeben weiterhin, dass das auch für komplexere Konvektions-Diffusions-Probleme gilt. [1] Alok Dutt, Leslie Greengard, und Vladimir Rokhlin. “Spectral deferred correction methods for ordinary differential equations.” In: BIT 40.2 (2000), pp. 241–266. [2] Martin Weiser. “Faster SDC convergence on non-equidistant grids by DIRK sweeps.” In: BIT 55.4 (2015), pp. 1219–1241.

Beschreibung: Da kohlenstofffaserverstärkte Kunststoffe (CFK) in anspruchsvollen sicherheitsrelevanten Einsatzgebieten wie im Automobilbau und in der Luftfahrt eingesetzt werden, besteht ein zunehmender Bedarf an zerstörungsfreien Prüfmethoden. Ziel ist die Gewährleistung der Sicherheit und Zuverlässigkeit der eingesetzten Bauteile. Aktive Thermografieverfahren ermöglichen die effiziente Prüfung großer Flächen mit hoher Auflösung in wenigen Arbeitsschritten. Ein wichtiges Teilgebiet der Prüfungen ist die Ortung und Charakterisierung von Delaminationen, die sowohl bereits in der Fertigung als auch während der Nutzung eines Bauteils auftreten können, und dessen strukturelle Integrität schwächen. ;In diesem Beitrag werden CFK-Strukturen mit künstlichen und natürlichen Delaminationen mit Hilfe unterschiedlich zeitlich modulierter Strahlungsquellen experimentell untersucht. Verwendet werden dabei Anregungen mit Blitzlampen und mit frequenzmodulierten Halogenlampen. Mittels Filterfunktionen im Zeit- und Frequenzbereich wird das Kontrast-zu-Rausch-Verhältnis (CNR) der detektierten Fehlstellen optimiert. Verglichen werden anschließend die Nachweisempfindlichkeit, das CNR und die Ortsauflösung der zu charakterisierenden Delaminationen für die unterschiedlichen Anregungs- und Auswertungstechniken. Ergänzt werden die Experimente durch numerische Simulationen des dreidimensionalen Wärmetransportes.

Beschreibung: The amazing success of computational mathematical optimization over the last decades has been driven more by insights into mathematical structures than by the advance of computing technology. In this vein, we address applications, where nonconvexity in the model and uncertainty in the data pose principal difficulties. The first part of the thesis deals with non-convex quadratic programs. Branch&Bound methods for this problem class depend on tight relaxations. We contribute in several ways: First, we establish a new way to handle missing linearization variables in the well-known Reformulation-Linearization-Technique (RLT). This is implemented into the commercial software CPLEX. Second, we study the optimization of a quadratic objective over the standard simplex or a knapsack constraint. These basic structures appear as part of many complex models. Exploiting connections to the maximum clique problem and RLT, we derive new valid inequalities. Using exact and heuristic separation methods, we demonstrate the impact of the new inequalities on the relaxation and the global optimization of these problems. Third, we strengthen the state-of-the-art relaxation for the pooling problem, a well-known non-convex quadratic problem, which is, for example, relevant in the petrochemical industry. We propose a novel relaxation that captures the essential non-convex structure of the problem but is small enough for an in-depth study. We provide a complete inner description in terms of the extreme points as well as an outer description in terms of inequalities defining its convex hull (which is not a polyhedron). We show that the resulting valid convex inequalities significantly strengthen the standard relaxation of the pooling problem. The second part of this thesis focuses on a common challenge in real world applications, namely, the uncertainty entailed in the input data. We study the extension of a gas transport network, e.g., from our project partner Open Grid Europe GmbH. For a single scenario this maps to a challenging non-convex MINLP. As the future transport patterns are highly uncertain, we propose a robust model to best prepare the network operator for an array of scenarios. We develop a custom decomposition approach that makes use of the hierarchical structure of network extensions and the loose coupling between the scenarios. The algorithm used the single-scenario problem as black-box subproblem allowing the generalization of our approach to problems with the same structure. The scenario-expanded version of this problem is out of reach for today's general-purpose MINLP solvers. Yet our approach provides primal and dual bounds for instances with up to 256 scenarios and solves many of them to optimality. Extensive computational studies show the impact of our work.

Beschreibung: Der bemerkenswerte Erfolg der angewandten mathematischen Optimierung in den letzten Dekaden ist mehr auf Einsichten in mathematische Strukturen zurückzuführen, als auf eine Steigerung der Rechenleistung. In diesem Sinne adressieren wir Anwendungen, in denen Nichtkonvexität und Unsicherheit in den Daten die Hauptschwierigkeiten darstellen. Der erste Teil dieser Arbeit beschäftigt sich mit nichtkonvexen quadratischen Optimierungsproblemen. Relaxierungen sind integraler Bestandteil von \BranchAndBound{}-Lösungsmethoden für diese Problemkategorie. Wir leisten folgende Beiträge: Erstens beschreiben wir eine neue Art fehlende Linearisierungsvariablen, in der so genannten Reformulation-Linearization-Technique (RLT), zu behandeln. Diese wird inzwischen in der kommerziellen Software CPLEX verwendet. Zweitens beschäftigen wir uns mit der Optimierung einer quadratischen Zielfunktion über die Standardsimplex oder einen so genannten Knapsack-Constraint. Solche grundlegenden Strukturen sind Teil vieler komplexer Modelle. Wir benutzen bekannte Verbindungen zum maximalen Cliquenproblem sowie zu RLT, um neue gültige Ungleichungen herzuleiten, die die Relaxierung verstärken. Drittens beschäftigen wir uns mit dem Pooling Problem, das z.B. in der Erdölindustrie relevant ist. Wie leiten eine neue Relaxierung her, die die wesentliche nicht-konvexe Struktur des Problems erfasst, aber klein genug für eine grundlegende Untersuchung ist. Wir geben eine innere Beschreibung in Form der Extrempunkte, sowie eine äußere Beschreibung in Form von Ungleichungen, die die konvexe Hülle (welche im Allgemeinen kein Polyeder ist) beschreiben, an. Wir zeigen, dass neuen die Ungleichungen die Relaxierung des Pooling Problems erheblich verstärken. Der zweite Teil der Arbeit befasst sich mit einer weiteren Herausforderung in realen Anwendungen, nämlich Unsicherheit in den Eingabedaten. Konkret untersuchen wir die Optimierung des Ausbaus eines Gastransportnetzes, wie z.B. von unserem Projektpartner Open Grid Europe GmbH. Dieses Problem ist bereits bei gegebenen Eingabedaten ein schweres nicht-konvexes gemischt-ganzzahliges Optimierungsproblem. Da zukünftige Nutzungsmuster des Netzes mit großer Unsicherheit behaftet sind, beschreiben wir ein robustes Modell, um den Netzbetreiber gegen verschiedene Szenarien abzusichern. Wir entwickeln einen speziellen Dekompositionsalgorithmus unter Berücksichtigung der hierarchischen Struktur der Ausbauten und der schwachen Kopplung zwischen den Szenarien. Unser Ansatz liefert primale und duale Schranken für Instanzen mit bis zu 256 Szenarien und löst viele beweisbar optimal. Umfangreiche Rechnungen bestätigen die Effizient der vorgestellten Methoden.

Beschreibung: To attain the highest performance of energy supply systems, it is necessary to rationally determine design specifications in consideration of operational strategies corresponding to energy demands. Mixed-integer linear programming (MILP) approaches have been applied widely to such optimal design problems. A MILP method utilizing the hierarchical relationship between design and operation variables have been proposed to solve them efficiently. However, it cannot necessarily be effective to multi-objective optimal design problems because of the existence of a large number of competing design candidates. In this paper, the hierarchical MILP method is revised from the viewpoint of computation efficiency so that it can be applied practically to multi-objective optimal design problems. At the lower level, the order of the optimal operation problems to be solved is changed based on incumbents obtained previously to increase a lower bound for the optimal value of the combined objective function and reduce the number of the optimal operation problems to be solved. At the upper level, a lower bound for the optimal value of the combined objective function is incorporated into the solution method to reduce the number of the design candidates to be generated. This revised hierarchical MILP method is applied to a multiobjective optimal design of a gas turbine cogeneration plant, and its validity and effectiveness are clarified.

Beschreibung: We show how to optimize rolling stock rotations that are required for the operation of a passenger timetable. The underlying mathematical ptimization problem is called rolling stock rotation problem (RSRP) and the leitmotiv of the thesis is RotOR, i.e., a highly integrated optimization algorithm for the RSRP. RotOR is used by DB Fernverkehr AG (DBF) in order to optimize intercity express (ICE) rotations for the European high-speed network. In this application, RSRPs have to be solved which (A) require many different aspects to be simultaneously considered, (B) are typically of large scale, and (C) include constraints that have a difficult combinatorial structure. This thesis suggests answers to these issues via the following concepts. (A) The main model, which RotOR uses, relies on a hypergraph. The hypergraph provides an easy way to model manifold industrial railway requirements in great detail. This includes well known vehicle composition requirements as well as relatively unexplored regularity stipulations. At the same time, the hypergraph directly leads to a mixed-integer programming (MIP) model for the RSRP. (B) The main algorithmic ingredient to solve industrial instances of the RSRP is a coarse-to-fine (C2F) column generation procedure. In this approach, the hypergraph is layered into coarse and fine layers that distinguish different levels of detail of the RSRP. The coarse layers are algorithmically utilized while pricing fine columns until proven optimality. Initially, the C2F approach is presented in terms of pure linear programming in order to provide an interface for other applications. (C) Rolling stock rotations have to comply to resource constraints in order to ensure, e.g., enough maintenance inspections along the rotations. These constraints are computationally hard, but are well known in the literature on the vehicle routing problem (VRP). We define an interface problem in order to bridge between the RSRP and the VRP and derive a straightforward algorithmic concept, namely regional search (RS), from their common features and, moreover, differences. Our RS algorithms show promising results for classical VRPs and RSRPs. In the first part of the thesis we present these concepts, which encompass its main mathematical contribution. The second part explains all modeling and solving components of RotOR that turn out to be essential in its industrial application. The thesis concludes with a solution to a complex re-optimization RSRP that RotOR has computed successfully for DBF. In this application all ICE vehicles of the ICE-W fleets of DBF had to be redirected past a construction site on a high-speed line in the heart of Germany.

Beschreibung: Transfer operators such as the Perron-Frobenius or Koopman operator play an important role in the global analysis of complex dynamical systems. The eigenfunctions of these operators can be used to detect metastable sets, to project the dynamics onto the dominant slow processes, or to separate superimposed signals. We extend transfer operator theory to reproducing kernel Hilbert spaces and show that these operators are related to Hilbert space representations of conditional distributions, known as conditional mean embeddings in the machine learning community. Moreover, numerical methods to compute empirical estimates of these embeddings are akin to data-driven methods for the approximation of transfer operators such as extended dynamic mode decomposition and its variants. In fact, most of the existing methods can be derived from our framework, providing a unifying view on the approximation of transfer operators. One main benefit of the presented kernel-based approaches is that these methods can be applied to any domain where a similarity measure given by a kernel is available. We illustrate the results with the aid of guiding examples and highlight potential applications in molecular dynamics as well as video and text data analysis.

Beschreibung: Computing hardware has mostly thrashed out the physical limits for speeding up individual computing cores. Consequently, the main line of progress for new hardware is growing the number of computing cores within a single CPU. This makes the study of efficient parallelization schemes for computation-intensive algorithms more and more important. A natural precondition to achieving reasonable speedups from parallelization is maintaining a high workload of the available computational resources. At the same time, reproducibility and reliability are key requirements for software that is used in industrial applications. In this paper, we present the new parallelization concept for the state-of-the-art MIP solver FICO Xpress-Optimizer. MIP solvers like Xpress are expected to be deterministic. This inevitably results in synchronization latencies which render the goal of a satisfying workload a challenge in itself. We address this challenge by following a partial information approach and separating the concepts of simultaneous tasks and independent threads from each other. Our computational results indicate that this leads to a much higher CPU workload and thereby to an improved, almost linear, scaling on modern high-performance CPUs. As an added value, the solution path that Xpress takes is not only deterministic in a fixed environment, but also, to a certain extent, thread-independent. This paper is an extended version of Berthold et al. [Parallelization of the FICO Xpress-Optimizer, in Mathematical Software – ICMS 2016: 5th International Conference, G.-M. Greuel, T. Koch, P. Paule, and A. Sommere, eds., Springer International Publishing, Berlin, 2016, pp. 251–258] containing more detailed technical descriptions, illustrative examples and updated computational results.

Beschreibung: 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.

Beschreibung: swMATH is currently one of the most comprehensive specialized information services and search engines for Mathematical SoftWare (MSW). It was the intention of the project to support the user community by providing infor- mation about MSW and searching relevant MSW. Currently swMATH lists infor- mation of more than 13,000 items and 120,000 publications which refer to MSW. Maintaining and updating of the service is mainly done automatically, the num- ber of requests is permanently increasing. This sounds like a perfect solution. But swMATH is only a first step to a powerful information system on mathematical research data. This talk addresses some open problems for the further develop- ment of the swMATH service. It is shown that some problems for swMATH lead to central questions for the information management of mathematical research data, especially for MSW. This contains an extended content analysis of MSW, versioning and citation standard of MSW, a typing of the swMATH resources and the presentation of context information and high-quality control within the swMATH service.

Beschreibung: 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.

Beschreibung: Bus rapid transit systems in developing and newly industrialized countries often consist of a trunk with a path topology. On this trunk, several overlapping lines are operated which provide direct connections. The demand varies heavily over the day, with morning and afternoon peaks typically in reverse directions. We propose an integer programming model for this problem, derive a structural property of line plans in the static (or single period) ``unimodal demand'' case, and consider approaches to the solution of the multi-period version that rely on clustering the demand into peak and off-peak service periods. An application to the Metrobüs system of Istanbul is discussed.

Beschreibung: Bus rapid transit systems in developing and newly industrialized countries are often operated at the limits of passenger capacity. In particular, demand during morning and afternoon peaks is hardly or even not covered with available line plans. In order to develop demand-driven line plans, we use two mathematical models in the form of integer programming problem formulations. While the actual demand data is specified with origin-destination pairs, the arc-based model considers the demand over the arcs derived from the origin-destination demand. In order to test the accuracy of the models in terms of demand satisfaction, we simulate the optimal solutions and compare number of transfers and travel times. We also question the effect of a selfish route choice behavior which in theory results in a Braess-like paradox by increasing the number of transfers when system capacity is increased with additional lines.

Beschreibung: We present a novel approach to turn smartphones/ tablets into tangible near-surface devices with augmented reality (AR) capability on virtually any passive surface, like desks, tables and wallboards. A low-cost optoelectronic add-on for the device back camera enables position tracking on an almost invisible printable fiducial marker grid. This approach is promising in terms of adoption potential because it can be used anywhere with existing devices, requires no dedicated hardware installations and is applicable to a broad range of real-world applications.

Beschreibung: The cartilaginous endoskeletons of Elasmobranchs (sharks and rays) are reinforced superficially by minute, mineralized tiles, called tesserae. Unlike the bony skeletons of other vertebrates, elasmobranch skeletons have limited healing capability and their tissues’ mechanisms for avoiding damage or managing it when it does occur are largely unknown. Here we describe an aberrant type of mineralized elasmobranch skeletal tissue called endophytic masses (EPMs), which grow into the uncalcified cartilage of the skeleton, but exhibit a strikingly different morphology compared to tesserae and other elasmobranch calcified tissues. We use biological and materials characterization techniques, including computed tomography, electron and light microscopy, x-ray and Raman spectroscopy and histology to characterize the morphology, ultrastructure and chemical composition of tesserae-associated EPMs in different elasmobranch species. EPMs appear to develop between and in intimate association with tesserae, but lack the lines of periodic growth and varying mineral density characteristic of tesserae. EPMs are mineral-dominated (high mineral and low organic content), comprised of birefringent bundles of large monetite or brushite crystals aligned end to end in long strings. Both Unusual skeletal mineralization in elasmobranchs tesserae and EPMs appear to develop in a type-2 collagen-based matrix, but in contrast to tesserae, all chondrocytes embedded or in contact with EPMs are dead and mineralized. The differences outlined between EPMs and tesserae demonstrate them to be distinct tissues. We discuss several possible reasons for EPM development, including tissue reinforcement, repair, and disruptions of mineralization processes, within the context of elasmobranch skeletal biology as well as descriptions of damage responses of other vertebrate mineralized tissues.

Beschreibung: The reconstruction of an object’s shape or surface from a set of 3D points plays an important role in medical image analysis, e.g. in anatomy reconstruction from tomographic measurements or in the process of aligning intra-operative navigation and preoperative planning data. In such scenarios, one usually has to deal with sparse data, which significantly aggravates the problem of reconstruction. However, medical applications often provide contextual information about the 3D point data that allow to incorporate prior knowledge about the shape that is to be reconstructed. To this end, we propose the use of a statistical shape model (SSM) as a prior for surface reconstruction. The SSM is represented by a point distribution model (PDM), which is associated with a surface mesh. Using the shape distribution that is modelled by the PDM, we formulate the problem of surface reconstruction from a probabilistic perspective based on a Gaussian Mixture Model (GMM). In order to do so, the given points are interpreted as samples of the GMM. By using mixture components with anisotropic covariances that are “oriented” according to the surface normals at the PDM points, a surface-based fitting is accomplished. Estimating the parameters of the GMM in a maximum a posteriori manner yields the reconstruction of the surface from the given data points. We compare our method to the extensively used Iterative Closest Points method on several different anatomical datasets/SSMs (brain, femur, tibia, hip, liver) and demonstrate superior accuracy and robustness on sparse data.

Beschreibung: 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.

Beschreibung: To improve existing weather prediction and reanalysis capabilities, high-resolution and multi-modal climate data becomes an increasingly important topic. The advent of increasingly dense numerical simulation of atmospheric phenomena, provides new means to better understand dynamic processes and to visualize structural flow patterns that remain hidden otherwise. In the presented illustrations we demonstrate an advanced technique to visualize multiple scales of dense flow fields and Lagrangian patterns therein, simulated by state-of-the-art simulation models for each scale. They provide a deeper insight into the structural differences and patterns that occur on each scale and highlight the complexity of flow phenomena in our atmosphere. This paper is associated with a poster winner of a 2016 APS/DFD Milton van Dyke Award for work presented at the DFD Gallery of Fluid Motion. The original poster is available from the Gallery of Fluid Motion, https://doi.org/10.1103/APS.DFD.2016.GFM.P0030

Beschreibung: In atmospheric sciences, sizes of data sets grow continuously due to increasing resolutions. A central task is the comparison of spatiotemporal fields, to assess different simulations and to compare simulations with observations. A significant information reduction is possible by focusing on geometric-topological features of the fields or on derived meteorological objects. Due to the huge size of the data sets, spatial features have to be extracted in time slices and traced over time. Fields with chaotic component, i.e. without 1:1 spatiotemporal correspondences, can be compared by looking upon statistics of feature properties. Feature extraction, however, requires a clear mathematical definition of the features – which many meteorological objects still lack. Traditionally, object extractions are often heuristic, defined only by implemented algorithms, and thus are not comparable. This work surveys our framework designed for efficient development of feature tracking methods and for testing new feature definitions. The framework supports well-established visualization practices and is being used by atmospheric researchers to diagnose and compare data.

Beschreibung: 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.

Beschreibung: 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.

Beschreibung: Statistical shape modeling is a powerful tool for visualizing and quantifying geometric and functional patterns of the heart. After myocardial infarction (MI), the left ventricle typically remodels in response to physiological challenges. Several methods have been proposed in the literature to describe statistical shape changes. Which method best characterizes left ventricular remodeling after MI is an open research question. A better descriptor of remodeling is expected to provide a more accurate evaluation of disease status in MI patients. We therefore designed a challenge to test shape characterization in MI given a set of three-dimensional left ventricular surface points. The training set comprised 100 MI patients, and 100 asymptomatic volunteers (AV). The challenge was initiated in 2015 at the Statistical Atlases and Computational Models of the Heart workshop, in conjunction with the MICCAI conference. The training set with labels was provided to participants, who were asked to submit the likelihood of MI from a different (validation) set of 200 cases (100 AV and 100 MI). Sensitivity, specificity, accuracy and area under the receiver operating characteristic curve were used as the outcome measures. The goals of this challenge were to (1) establish a common dataset for evaluating statistical shape modeling algorithms in MI, and (2) test whether statistical shape modeling provides additional information characterizing MI patients over standard clinical measures. Eleven groups with a wide variety of classification and feature extraction approaches participated in this challenge. All methods achieved excellent classification results with accuracy ranges from 0.83 to 0.98. The areas under the receiver operating characteristic curves were all above 0.90. Four methods showed significantly higher performance than standard clinical measures. The dataset and software for evaluation are available from the Cardiac Atlas Project website1.

Beschreibung: Quantitative photoacoustic tomography (qPAT) aims to extract physiological parameters, such as blood oxygen saturation (sO2), from measured multi-wavelength image data sets. The challenge of this approach lies in the inherently nonlinear fluence distribution in the tissue, which has to be accounted for by using an appropriate model, and the large scale of the inverse problem. In addition, the accuracy of experimental and scanner-specific parameters, such as the wavelength dependence of the incident fluence, the acoustic detector response, the beam profile and divergence, needs to be considered. This study aims at quantitative imaging of blood sO2, as it has been shown to be a more robust parameter compared to absolute concentrations. We propose a Monte-Carlo–based inversion scheme in conjunction with a reduction in the number of variables achieved using image segmentation. The inversion scheme is experimentally validated in tissue-mimicking phantoms consisting of polymer tubes suspended in a scattering liquid. The tubes were filled with chromophore solutions at different concentration ratios. 3-D multi-spectral image data sets were acquired using a Fabry-Perot based PA scanner. A quantitative comparison of the measured data with the output of the forward model is presented. Parameter estimates of chromophore concentration ratios were found to be within 5 % of the true values.

Beschreibung: Purpose: Morphological data pertaining to the pelvis and lower extremity muscles are increasingly being used in biomechanical modeling to compare healthy and pathological conditions. Very few data sets exist that encompass all of the muscles of the lower limb, allowing for comparisons between regions. The aims of this study were to (a) provide physiological cross-sectional area (PCSA) data for the pelvic, thigh, and leg muscles in young, healthy participants, using magnetic resonance imaging (MRI), and (b) to compare these data with summarized PCSAs obtained from the literature. Materials and Methods: Six young and healthy volunteers participated and were scanned using 3 T MRI. PCSAs were calculated from volumetric segmentations obtained bilaterally of 28 muscles/muscle groups of the pelvis, thigh, and leg. These data were compared to published, summarized PCSA data derived from cadaveric, computed tomography, MRI and ultrasound studies. Results: The PCSA of the pelvis, thigh, and leg muscles tended to be 20–130% larger in males than in females, except for the gemelli which were 34% smaller in males, and semitendinosus and triceps surae which did not differ (〈20% different). The dominant and the non-dominant sides showed similar and minutely different PCSA with less than 18% difference between sides. Comparison to other studies revealed wide ranges within, and large differences between, the cadaveric and imaging PCSA data. Comparison of the PCSA of this study and published literature revealed major differences in the iliopsoas, gluteus minimus, tensor fasciae latae, gemelli, obturator internus, biceps femoris, quadriceps femoris, and the deep leg flexor muscles. Conclusions: These volume-derived PCSAs of the pelvic and lower limb muscles alongside the data synthesised from the literature may serve as a basis for comparative and biomechanical studies of the living and healthy young, and enable calculation of muscle forces. Comparison of the literature revealed large variations in PCSA from each of the different investigative modalities, hampering omparability between studies. Sample size, age, post-mortem changes of muscle tone, chemical fixation of cadaveric tissues, and the underlying physics of the imaging techniques may potentially influence PCSA calculations.

Beschreibung: Large-eddy simulations (LES) with the new ICOsahedral Non-hydrostatic atmosphere model (ICON) covering Germany are evaluated for four days in spring 2013 using observational data from various sources. Reference simulations with the established Consortium for Small-scale Modelling (COSMO) numerical weather prediction model and further standard LES codes are performed and used as a reference. This comprehensive evaluation approach covers multiple parameters and scales, focusing on boundary-layer variables, clouds and precipitation. The evaluation points to the need to work on parametrizations influencing the surface energy balance, and possibly on ice cloud microphysics. The central purpose for the development and application of ICON in the LES configuration is the use of simulation results to improve the understanding of moist processes, as well as their parametrization in climate models. The evaluation thus aims at building confidence in the model's ability to simulate small- to mesoscale variability in turbulence, clouds and precipitation. The results are encouraging: the high-resolution model matches the observed variability much better at small- to mesoscales than the coarser resolved reference model. In its highest grid resolution, the simulated turbulence profiles are realistic and column water vapour matches the observed temporal variability at short time-scales. Despite being somewhat too large and too frequent, small cumulus clouds are well represented in comparison with satellite data, as is the shape of the cloud size spectrum. Variability of cloud water matches the satellite observations much better in ICON than in the reference model. In this sense, it is concluded that the model is fit for the purpose of using its output for parametrization development, despite the potential to improve further some important aspects of processes that are also parametrized in the high-resolution model.

Beschreibung: Recent advances in high-resolution, cloud resolving simulation models pose several challenges towards respective analysis methodologies. To enable efficient comparison and validation of such models efficient, scalable, and informative diagnostic procedures are mandatory. In this talk, an object-based evaluation scheme based on the notion of scalar field topology will be presented. The presentation will cover the application of topological clustering procedures for object identification, tracking, and the retrieval of object-based statistics. The pro-posed methodology is shown to enable an advanced in-depth evaluation and visualization of high cloud-resolving models. Using a newly developed large-scale high-resolution model (i.e., HD(CP)2 ICON), it will be demonstrated that the presented procedures are applicable to assess the model performance compared to measurements (e.g., radar, satellite) and standard operational models (COSMO) at different domains and spatial scales.

Beschreibung: Purpose: A fully automated surgical tool detection framework is proposed for endoscopic video streams. State-of-the-art surgical tool detection methods rely on supervised one-vs-all or multi-class classification techniques, completely ignoring the co-occurrence relationship of the tools and the associated class imbalance. Methods: In this paper, we formulate tool detection as a multi-label classification task where tool co-occurrences are treated as separate classes. In addition, imbalance on tool co-occurrences is analyzed and stratification techniques are employed to address the imbalance during Convolutional Neural Network (CNN) training. Moreover, temporal smoothing is introduced as an online post-processing step to enhance run time prediction. Results: Quantitative analysis is performed on the M2CAI16 tool detection dataset to highlight the importance of stratification, temporal smoothing and the overall framework for tool detection. Conclusion: The analysis on tool imbalance, backed by the empirical results indicates the need and superiority of the proposed framework over state-of-the-art techniques.

Beschreibung: Introduction – Many biological structures show recurring tiling patterns on one structural level or the other. Current image acquisition techniques are able to resolve those tiling patterns to allow quantitative analyses. The resulting image data, however, may contain an enormous number of elements. This renders manual image analysis infeasible, in particular when statistical analysis is to be conducted, requiring a larger number of image data to be analyzed. As a consequence, the analysis process needs to be automated to a large degree. In this paper, we describe a multi-step image segmentation pipeline for the automated segmentation of the calcified cartilage into individual tesserae from computed tomography images of skeletal elements of stingrays. Methods – Besides applying state-of-the-art algorithms like anisotropic diffusion smoothing, local thresholding for foreground segmentation, distance map calculation, and hierarchical watershed, we exploit a graph-based representation for fast correction of the segmentation. In addition, we propose a new distance map that is computed only in the plane that locally best approximates the calcified cartilage. This distance map drastically improves the separation of individual tesserae. We apply our segmentation pipeline to hyomandibulae from three individuals of the round stingray (Urobatis halleri), varying both in age and size. Results – Each of the hyomandibula datasets contains approximately 3000 tesserae. To evaluate the quality of the automated segmentation, four expert users manually generated ground truth segmentations of small parts of one hyomandibula. These ground truth segmentations allowed us to compare the segmentation quality w.r.t. individual tesserae. Additionally, to investigate the segmentation quality of whole skeletal elements, landmarks were manually placed on all tesserae and their positions were then compared to the segmented tesserae. With the proposed segmentation pipeline, we sped up the processing of a single skeletal element from days or weeks to a few hours.

Beschreibung: Degenerative Gelenkerkrankungen, wie die Osteoarthrose, sind ein häufiges Krankheitsbild unter älteren Erwachsenen. Hierbei verringert sich u.a. der Gelenkspalt aufgrund degenerierten Knorpels oder geschädigter Menisci. Ein in den Gelenkspalt eingebrachter interpositionaler Spacer soll die mit der Osteoarthrose einhergehende verringerte Gelenkkontaktfläche erhöhen und so der teilweise oder vollständige Gelenkersatz hinausgezögert oder vermieden werden. In dieser Arbeit präsentieren wir eine Planungssoftware für die Auswahl und Positionierung eines interpositionalen Spacers am Patientenmodell. Auf einer MRT-basierten Bildsegmentierung aufbauend erfolgt eine geometrische Rekonstruktion der 3D-Anatomie des Kniegelenks. Anhand dieser wird der Gelenkspalt bestimmt, sowie ein Spacer ausgewählt und algorithmisch vorpositioniert. Die Positionierung des Spacers ist durch den Benutzer jederzeit interaktiv anpassbar. Für jede Positionierung eines Spacers wird ein Fitness-Wert zur Knieanatomie des jeweiligen Patienten berechnet und den Nutzern Rückmeldung hinsichtlich Passgenauigkeit gegeben. Die Software unterstützt somit als Entscheidungshilfe die behandelnden Ärzte bei der patientenspezifischen Spacerauswahl.

Beschreibung: Comets display with decreasing solar distance an increased emission of gas and dust particles, leading to the formation of the coma and tail. Spacecraft missions provide insight in the temporal and spatial variations of the dust and gas sources located on the cometary nucleus. For the case of comet 67P/Churyumov-Gerasimenko (67P/C-G), the long-term obser- vations from the Rosetta mission point to a homogeneous dust emission across the entire illuminated surface. Despite the homogeneous initial dis- tribution, a collimation in jet-like structures becomes visible. We propose that this observation is linked directly to the complex shape of the nucleus and projects concave topographical features into the dust coma. To test this hypothesis, we put forward a gas-dust description of 67P/C-G, where gravitational and gas forces are accurately determined from the surface mesh and the rotation of the nucleus is fully incorporated. The emerging jet-like structures persist for a wide range of gas-dust interactions and show a dust velocity dependent bending.

Beschreibung: In atmospheric sciences, sizes of data sets grow continuously due to increasing resolutions. A central task is the comparison of spatiotemporal fields, to assess different simulations and to compare simulations with observations. A significant information reduction is possible by focusing on geometric-topological features of the fields or on derived meteorological objects. Due to the huge size of the data sets, spatial features have to be extracted in time slices and traced over time. Fields with chaotic component, i.e. without 1:1 spatiotemporal correspondences, can be compared by looking upon statistics of feature properties. Feature extraction, however, requires a clear mathematical definition of the features - which many meteorological objects still lack. Traditionally, object extractions are often heuristic, defined only by implemented algorithms, and thus are not comparable. This work surveys our framework designed for efficient development of feature tracking methods and for testing new feature definitions. The framework supports well-established visualization practices and is being used by atmospheric researchers to diagnose and compare data.

Beschreibung: 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.

Beschreibung: 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.

Beschreibung: Temperature based death time estimation is based either on simple phenomenological models of corpse cooling or on detailed physical heat transfer models. The latter are much more complex, but allow a higher accuracy of death time estimation as in principle all relevant cooling mechanisms can be taken into account. Here, a complete work flow for finite element based cooling simulation models is presented. The following steps are demonstrated on CT-phantoms: • CT-scan • Segmentation of the CT images for thermodynamically relevant features of individual geometries • Conversion of the segmentation result into a Finite Element (FE) simulation model • Computation of the model cooling curve • Calculation of the cooling time For the first time in FE-based cooling time estimation the steps from the CT image over segmentation to FE model generation are semi-automatically performed. The cooling time calculation results are compared to cooling measurements performed on the phantoms under controlled conditions. In this context, the method is validated using different CTphantoms. Some of the CT phantoms thermodynamic material parameters had to be experimentally determined via independent experiments. Moreover the impact of geometry and material parameter uncertainties on the estimated cooling time is investigated by a sensitivity analysis.

Beschreibung: 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.

Beschreibung: Background We assessed the novel MACC1 gene to further stratify stage II colon cancer patients with proficient mismatch repair (pMMR). Patients and methods Four cohorts with 596 patients were analyzed: Charité 1 discovery cohort was assayed for MACC1 mRNA expression and MMR in cryo-preserved tumors. Charité 2 comparison cohort was used to translate MACC1 qRT-PCR analyses to FFPE samples. In the BIOGRID 1 training cohort MACC1 mRNA levels were related to MACC1 protein levels from immunohistochemistry in FFPE sections; also analyzed for MMR. Chemotherapy-naïve pMMR patients were stratified by MACC1 mRNA and protein expression to establish risk groups based on recurrence-free survival (RFS). Risk stratification from BIOGRID 1 was confirmed in the BIOGRID 2 validation cohort. Pooled BIOGRID datasets produced a best effect-size estimate. Results In BIOGRID 1, using qRT-PCR and immunohistochemistry for MACC1 detection, pMMR/MACC1-low patients had a lower recurrence probability versus pMMR/MACC1-high patients (5-year RFS of 92% and 67% versus 100% and 68%, respectively). In BIOGRID 2, longer RFS was confirmed for pMMR/MACC1-low versus pMMR/MACC1-high patients (5-year RFS of 100% versus 90%, respectively). In the pooled dataset, 6.5% of patients were pMMR/MACC1-low with no disease recurrence, resulting in a 17% higher 5-year RFS (95% CI (12.6-21.3%)) versus pMMR/MACC1-high patients (P=0.037). Outcomes were similar for pMMR/MACC1-low and deficient MMR (dMMR) patients (5-year RFS of 100% and 96%, respectively). Conclusions MACC1 expression stratifies colon cancer patients with unfavorable pMMR status. Stage II colon cancer patients with pMMR/MACC1-low tumors have a similar favorable prognosis to those with dMMR with potential implications for the role of adjuvant therapy.

Beschreibung: Temperature-based estimation of time of death (ToD) can be per- formed either with the help of simple phenomenological models of corpse cooling or with detailed mechanistic (thermodynamic) heat transfer mod- els. The latter are much more complex, but allow a higher accuracy of ToD estimation as in principle all relevant cooling mechanisms can be taken into account. The potentially higher accuracy depends on the accuracy of tissue and environmental parameters as well as on the geometric resolution. We in- vestigate the impact of parameter variations and geometry representation on the estimated ToD based on a highly detailed 3D corpse model, that has been segmented and geometrically reconstructed from a computed to- mography (CT) data set, differentiating various organs and tissue types. From that we identify the most crucial parameters to measure or estimate, and obtain a local uncertainty quantifcation for the ToD.

Beschreibung: The mitotic spindle ensures the faithful segregation of chromosomes. Here we combine the first large-scale serial electron tomography of whole mitotic spindles in early C. elegans embryos with live-cell imaging to reconstruct all microtubules in 3D and identify their plus- and minus-ends. We classify them as kinetochore (KMTs), spindle (SMTs) or astral microtubules (AMTs) according to their positions, and quantify distinct properties of each class. While our light microscopy and mutant studies show that microtubules are nucleated from the centrosomes, we find only a few KMTs directly connected to the centrosomes. Indeed, by quantitatively analysing several models of microtubule growth, we conclude that minus-ends of KMTs have selectively detached and depolymerized from the centrosome. In toto, our results show that the connection between centrosomes and chromosomes is mediated by an anchoring into the entire spindle network and that any direct connections through KMTs are few and likely very transient.

Beschreibung: Background: Currently, there is no fully sufficient way to differentiate between symptomatic and normal nasal breathing. Using the nose’s total resistance is disputed as a valid means to objectify nasal airflow, and the need for a more comprehensive diagnostic method is increasing. This work’s aim was to test a novel approach considering intranasal wall shear stress as well as static pressure maps obtained by computational fluid dynamics (CFD). Methods: X-ray computed tomography (CT) scan data of six symptom-free subjects and seven symptomatic patients were used. Patient-specific geometries of the nasal cavity were segmented from these data sets. Inspiratory and expiratory steady airflow simulations were performed using CFD. Calculated static pressures and wall shear stresses (WSS) were mapped onto a common template of the nasal septum, allowing for comparison of these parameters between the two patient groups. Results: Significant differences in wall shear stress distributions during the inspiratory phase could be identified between the two groups, whereas no differences were found for the expiratory phase. It is assumed that one essential feature of normal nasal breathing probably consists in distinctively different intranasal flow fields for inspiration and expiration. This is in accordance with previous investigations. Conclusion: The proposed method seems to be a promising tool for developing a new kind of patient-specific assessment of nasal breathing. However, more studies and a greater case number of data with an expanded focus, would be ideal.

Beschreibung: Materials with a trabecular structure notably combine advantages such as lightweight, reasonable strength, and permeability for fluids. This combination of advantages is especially interesting for tissue engineering in trauma surgery and orthopedics. Bone-substituting scaffolds for instance are designed with a trabecular structure in order to allow cell migration for bone ingrowth and vascularization. An emerging and recently very popular technology to produce such complex, porous structures is 3D printing. However, several technological aspects regarding the scaffold architecture, the printable resolution, and the feature size have to be considered when fabricating scaffolds for bone tissue replacement and regeneration. Here, we present a strategy to assess and prepare realistic trabecular structures for 3D printing using image analysis with the aim of preserving the structural elements. We discuss critical conditions of the printing system and present a 3-stage approach to adapt a trabecular structure from $\mu$CT data while incorporating knowledge about the printing system. In the first stage, an image-based extraction of solid and void structures is performed, which results in voxel- and graph-based representations of the extracted structures. These representations not only allow us to quantify geometrical properties such as pore size or strut geometry and length. But, since the graph represents the geometry and the topology of the initial structure, it can be used in the second stage to modify and adjust feature size, volume and sample size in an easy and consistent way. In the final reconstruction stage, the graph is then converted into a voxel representation preserving the topology of the initial structure. This stage generates a model with respect to the printing conditions to ensure a stable and controlled voxel placement during the printing process.

Beschreibung: Background We assessed the novel MACC1 gene to further stratify stage II colon cancer patients with proficient mismatch repair (pMMR). Patients and methods Four cohorts with 596 patients were analyzed: Charité 1 discovery cohort was assayed for MACC1 mRNA expression and MMR in cryo-preserved tumors. Charité 2 comparison cohort was used to translate MACC1 qRT- PCR analyses to FFPE samples. In the BIOGRID 1 training cohort MACC1 mRNA levels were related to MACC1 protein levels from immunohistochemistry in FFPE sections; also analyzed for MMR. Chemotherapy-naïve pMMR patients were stratified by MACC1 mRNA and protein expression to establish risk groups based on recurrence-free survival (RFS). Risk stratification from BIOGRID 1 was confirmed in the BIOGRID 2 validation cohort. Pooled BIOGRID datasets produced a best effect-size estimate. Results In BIOGRID 1, using qRT-PCR and immunohistochemistry for MACC1 detection, pMMR/MACC1-low patients had a lower recurrence probability versus pMMR/MACC1-high patients (5-year RFS of 92% and 67% versus 100% and 68%, respectively). In BIOGRID 2, longer RFS was confirmed for pMMR/MACC1-low versus pMMR/MACC1-high patients (5-year RFS of 100% versus 90%, respectively). In the pooled dataset, 6.5% of patients were pMMR/MACC1-low with no disease recurrence, resulting in a 17% higher 5-year RFS (95% CI (12.6-21.3%)) versus pMMR/MACC1-high patients (P=0.037). Outcomes were similar for pMMR/MACC1-low and deficient MMR (dMMR) patients (5-year RFS of 100% and 96%, respectively). Conclusions MACC1 expression stratifies colon cancer patients with unfavorable pMMR status. Stage II colon cancer patients with pMMR/MACC1-low tumors have a similar favorable prognosis to those with dMMR with potential implications for the role of adjuvant therapy.

Beschreibung: Before the onset of sprouting angiogenesis, the endothelium is prepatterned for the positioning of tip and stalk cells. Both cell identities are not static, as endothelial cells (ECs) constantly compete for the tip cell position in a dynamic fashion. Here, we show that both bone morphogenetic protein (BMP) 2 and BMP6 are proangiogenic in vitro and ex vivo and that the BMP type I receptors, activin receptor-like kinase (ALK)3 and ALK2, play crucial and distinct roles in this process. BMP2 activates the expression of tip cell–associated genes, such as DLL4 (delta-like ligand 4) and KDR (kinase insert domain receptor), and p38-heat shock protein 27 (HSP27)–dependent cell migration, thereby generating tip cell competence. Whereas BMP6 also triggers collective cell migration via the p38-HSP27 signaling axis, BMP6 induces in addition SMAD1/5 signaling, thereby promoting the expression of stalk cell–associated genes, such as HES1 (hairy and enhancer of split 1) and FLT1 (fms-like tyrosine kinase 1). Specifically, ALK3 is required for sprouting from HUVEC spheroids, whereas ALK2 represses sprout formation. We demonstrate that expression levels and respective complex formation of BMP type I receptors in ECs determine stalk vs. tip cell identity, thus contributing to endothelial plasticity during sprouting angiogenesis. As antiangiogenic monotherapies that target the VEGF or ALK1 pathways have not fulfilled efficacy objectives in clinical trials, the selective targeting of the ALK2/3 pathways may be an attractive new approach.

Beschreibung: We demonstrate, based on data derived from computed tomography, that integrating 2D and 3D morphological data of ammonoid shells represent an important new approach to disentangle the palaeobiology of ammonoids. Characterization of ammonite morphology has long been constrained to 2D data and only a few studies collect ontogenetic data in 180° steps. We combine this traditional approach with 3D data collected from high-resolution nano-computed tomography. For this approach, ontogenetic morphological data of the hollow shell of a juvenile ammonite Kosmoceras (Jurassic, Callovian) is collected. 2D data is collected in 10° steps and show significant changes in shell morphology. Preserved hollow spines show multiple mineralized membranes never reported before, representing temporal changes of the ammonoid mantle tissue. 3D data show that chamber volumes do not always increase exponentially, as was generally assumed, but may represent a proxy for life events, e.g. stress phases. Furthermore, chamber volume cannot be simply derived from septal spacing in forms comparable to Kosmoceras. Vogel numbers, a 3D parameter for chamber shape, of Kosmoceras are similar to other ammonoids (Arnsbergites, Amauroceras) and modern cephalopods (Nautilus, Spirula). Two methods to virtually document the suture line ontogeny, used to document phylogenetic relationships of larger taxonomic entities, were applied for the first time and seem a promising alternative to hand drawings. The curvature of the chamber surfaces increases during ontogeny due to increasing strength of ornamentation and septal complexity. As increasing curvature may allow for faster handling of cameral liquid, it could compensate for decreasing SA/V ratios through ontogeny.

Beschreibung: 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-Euclidean structure. A key advantage of our framework is that statistics in a manifold shape space becomes 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 Euclidean approach in terms of shape-based classification of morphological disorders.

Beschreibung: In an aging society where the number of joint replacements rises, it is important to also increase the longevity of implants. In particular hip implants have a lifetime of at most 15 years. This derives primarily from pain due to implant migration, wear, inflammation, and dislocation, which is affected by the positioning of the implant during the surgery. Current joint replacement practice uses 2D software tools and relies on the experience of surgeons. Especially the 2D tools fail to take the patients’ natural range of motion as well as stress distribution in the 3D joint induced by different daily motions into account. Optimizing the hip joint implant position for all possible parametrized motions under the constraint of a contact problem is prohibitively expensive as there are too many motions and every position change demands a recalculation of the contact problem. For the reduction of the computational effort, we use adaptive refinement on the parameter domain coupled with the interpolation method of Kriging. A coarse initial grid is to be locally refined using goal-oriented error estimation, reducing locally high variances. This approach will be combined with multi-grid optimization such that numerical errors are reduced.

Beschreibung: In this study we investigate methods for fitting a Statistical Shape Model (SSM) to intraoperatively acquired point cloud data from a surgical navigation system. We validate the fitted models against the pre-operatively acquired Magnetic Resonance Imaging (MRI) data from the same patients. We consider a cohort of 10 patients who underwent navigated total knee arthroplasty. As part of the surgical protocol the patients’ distal femurs were partially digitized. All patients had an MRI scan two months pre-operatively. The MRI data were manually segmented and the reconstructed bone surfaces used as ground truth against which the fit was compared. Two methods were used to fit the SSM to the data, based on (1) Iterative Closest Points (ICP) and (2) Gaussian Mixture Models (GMM). For both approaches, the difference between model fit and ground truth surface averaged less than 1.7 mm and excellent correspondence with the distal femoral morphology can be demonstrated.

Beschreibung: Degenerative Gelenkerkrankungen, wie die Osteoarthrose, sind ein häufiges Krankheitsbild unter älteren Erwachsenen. Hierbei verringert sich u.a. der Gelenkspalt aufgrund degenerierten Knorpels oder geschädigter Menisci. Ein in den Gelenkspalt eingebrachter interpositionaler Spacer soll die mit der Osteoarthrose einhergehende verringerte Gelenkkontaktfläche erhöhen und so der teilweise oder vollständige Gelenkersatz hinausgezögert oder vermieden werden. In dieser Arbeit präsentieren wir eine Planungssoftware für die Auswahl und Positionierung eines interpositionalen Spacers am Patientenmodell. Auf einer MRT-basierten Bildsegmentierung aufbauend erfolgt eine geometrische Rekonstruktion der 3D-Anatomie des Kniegelenks. Anhand dieser wird der Gelenkspalt bestimmt, sowie ein Spacer ausgewählt und algorithmisch vorpositioniert. Die Positionierung des Spacers ist durch den Benutzer jederzeit interaktiv anpassbar. Für jede Positionierung eines Spacers wird ein Fitness-Wert zur Knieanatomie des jeweiligen Patienten berechnet und den Nutzern Rückmeldung hinsichtlich Passgenauigkeit gegeben. Die Software unterstützt somit als Entscheidungshilfe die behandelnden Ärzte bei der patientenspezifischen Spacerauswahl.