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Matching problems with additional resource constraints are generalizations of the classical matching problem. The focus of this work is on matching problems with two types of additional resource constraints: The couple constrained matching problem and the level constrained matching problem. The first one is a matching problem which has imposed a set of additional equality constraints. Each constraint demands that for a given pair of edges either both edges are in the matching or none of them is in the matching. The second one is a matching problem which has imposed a single equality constraint. This constraint demands that an exact number of edges in the matching are so-called on-level edges. In a bipartite graph with fixed indices of the nodes, these are the edges with end-nodes that have the same index. As a central result concerning the couple constrained matching problem we prove that this problem is NP-hard, even on bipartite cycle graphs. Concerning the complexity of the level constrained perfect matching problem we show that it is polynomially equivalent to three other combinatorial optimization problems from the literature. For different combinations of fixed and variable parameters of one of these problems, the restricted perfect matching problem, we investigate their effect on the complexity of the problem. Further, the complexity of the assignment problem with an additional equality constraint is investigated. In a central part of this work we bring couple constraints into connection with a level constraint. We introduce the couple and level constrained matching problem with on-level couples, which is a matching problem with a special case of couple constraints together with a level constraint imposed on it. We prove that the decision version of this problem is NP-complete. This shows that the level constraint can be sufficient for making a polynomially solvable problem NP-hard when being imposed on that problem. This work also deals with the polyhedral structure of resource constrained matching problems. For the polytope corresponding to the relaxation of the level constrained perfect matching problem we develop a characterization of its non-integral vertices. We prove that for any given non-integral vertex of the polytope a corresponding inequality which separates this vertex from the convex hull of integral points can be found in polynomial time. Regarding the calculation of solutions of resource constrained matching problems, two new algorithms are presented. We develop a polynomial approximation algorithm for the level constrained matching problem on level graphs, which returns solutions whose size is at most one less than the size of an optimal solution. We then describe the Objective Branching Algorithm, a new algorithm for exactly solving the perfect matching problem with an additional equality constraint. The algorithm makes use of the fact that the weighted perfect matching problem without an additional side constraint is polynomially solvable. In the Appendix, experimental results of an implementation of the Objective Branching Algorithm are listed.
This work is concerned with the numerical solution of optimization problems that arise in the context of ground water modeling. Both ground water hydraulic and quality management problems are considered. The considered problems are discretized problems of optimal control that are governed by discretized partial differential equations. Aspects of special interest in this work are inaccurate function evaluations and the ensuing numerical treatment within an optimization algorithm. Methods for noisy functions are appropriate for the considered practical application. Also, block preconditioners are constructed and analyzed that exploit the structure of the underlying linear system. Specifically, KKT systems are considered, and the preconditioners are tested for use within Krylov subspace methods. The project was financed by the foundation Stiftung Rheinland-Pfalz für Innovation and carried out in joint work with TGU GmbH, a company of consulting engineers for ground water and water resources.
Industrial companies mainly aim for increasing their profit. That is why they intend to reduce production costs without sacrificing the quality. Furthermore, in the context of the 2020 energy targets, energy efficiency plays a crucial role. Mathematical modeling, simulation and optimization tools can contribute to the achievement of these industrial and environmental goals. For the process of white wine fermentation, there exists a huge potential for saving energy. In this thesis mathematical modeling, simulation and optimization tools are customized to the needs of this biochemical process and applied to it. Two different models are derived that represent the process as it can be observed in real experiments. One model takes the growth, division and death behavior of the single yeast cell into account. This is modeled by a partial integro-differential equation and additional multiple ordinary integro-differential equations showing the development of the other substrates involved. The other model, described by ordinary differential equations, represents the growth and death behavior of the yeast concentration and development of the other substrates involved. The more detailed model is investigated analytically and numerically. Thereby existence and uniqueness of solutions are studied and the process is simulated. These investigations initiate a discussion regarding the value of the additional benefit of this model compared to the simpler one. For optimization, the process is described by the less detailed model. The process is identified by a parameter and state estimation problem. The energy and quality targets are formulated in the objective function of an optimal control or model predictive control problem controlling the fermentation temperature. This means that cooling during the process of wine fermentation is controlled. Parameter and state estimation with nonlinear economic model predictive control is applied in two experiments. For the first experiment, the optimization problems are solved by multiple shooting with a backward differentiation formula method for the discretization of the problem and a sequential quadratic programming method with a line search strategy and a Broyden-Fletcher-Goldfarb-Shanno update for the solution of the constrained nonlinear optimization problems. Different rounding strategies are applied to the resulting post-fermentation control profile. Furthermore, a quality assurance test is performed. The outcomes of this experiment are remarkable energy savings and tasty wine. For the next experiment, some modifications are made, and the optimization problems are solved by using direct transcription via orthogonal collocation on finite elements for the discretization and an interior-point filter line-search method for the solution of the constrained nonlinear optimization problems. The second experiment verifies the results of the first experiment. This means that by the use of this novel control strategy energy conservation is ensured and production costs are reduced. From now on tasty white wine can be produced at a lower price and with a clearer conscience at the same time.
Optimal control problems are optimization problems governed by ordinary or partial differential equations (PDEs). A general formulation is given byrn \min_{(y,u)} J(y,u) with subject to e(y,u)=0, assuming that e_y^{-1} exists and consists of the three main elements: 1. The cost functional J that models the purpose of the control on the system. 2. The definition of a control function u that represents the influence of the environment of the systems. 3. The set of differential equations e(y,u) modeling the controlled system, represented by the state function y:=y(u) which depends on u. These kind of problems are well investigated and arise in many fields of application, for example robot control, control of biological processes, test drive simulation and shape and topology optimization. In this thesis, an academic model problem of the form \min_{(y,u)} J(y,u):=\min_{(y,u)}\frac{1}{2}\|y-y_d\|^2_{L^2(\Omega)}+\frac{\alpha}{2}\|u\|^2_{L^2(\Omega)} subject to -\div(A\grad y)+cy=f+u in \Omega, y=0 on \partial\Omega and u\in U_{ad} is considered. The objective is tracking type with a given target function y_d and a regularization term with parameter \alpha. The control function u takes effect on the whole domain \Omega. The underlying partial differential equation is assumed to be uniformly elliptic. This problem belongs to the class of linear-quadratic elliptic control problems with distributed control. The existence and uniqueness of an optimal solution for problems of this type is well-known and in a first step, following the paradigm 'first optimize, then discretize', the necessary and sufficient optimality conditions are derived by means of the adjoint equation which ends in a characterization of the optimal solution in form of an optimality system. In a second step, the occurring differential operators are approximated by finite differences and the hence resulting discretized optimality system is solved with a collective smoothing multigrid method (CSMG). In general, there are several optimization methods for solving the optimal control problem: an application of the implicit function theorem leads to so-called black-box approaches where the PDE-constrained optimization problem is transformed into an unconstrained optimization problem and the reduced gradient for these reduced functional is computed via the adjoint approach. Another possibilities are Quasi-Newton methods, which approximate the Hessian by a low-rank update based on gradient evaluations, Krylov-Newton methods or (reduced) SQP methods. The use of multigrid methods for optimization purposes is motivated by its optimal computational complexity, i.e. the number of required computer iterations scales linearly with the number of unknowns and the rate of convergence, which is independent of the grid size. Originally multigrid methods are a class of algorithms for solving linear systems arising from the discretization of partial differential equations. The main part of this thesis is devoted to the investigation of the implementability and the efficiency of the CSMG on commodity graphics cards. GPUs (graphic processing units) are designed for highly parallelizable graphics computations and possess many cores of SIMD-architecture, which are able to outperform the CPU regarding to computational power and memory bandwidth. Here they are considered as prototype for prospective multi-core computers with several hundred of cores. When using GPUs as streamprocessors, two major problems arise: data have to be transferred from the CPU main memory to the GPU main memory, which can be quite slow and the limited size of the GPU main memory. Furthermore, only when the streamprocessors are fully used to capacity, a remarkable speed-up comparing to a CPU is achieved. Therefore, new algorithms for the solution of optimal control problems are designed in this thesis. To this end, a nonoverlapping domain decomposition method is introduced which allows the exploitation of the computational power of many GPUs resp. CPUs in parallel. This algorithm is based on preliminary work for elliptic problems and enhanced for the application to optimal control problems. For the domain decomposition into two subdomains the linear system for the unknowns on the interface is solved with a Schur complement method by using a discrete approximation of the Steklov-Poincare operator. For the academic optimal control problem, the arising capacitance matrix can be inverted analytically. On this basis, two different algorithms for the nonoverlapping domain decomposition for the case of many subdomains are proposed in this thesis: on the one hand, a recursive approach and on the other hand a simultaneous approach. Numerical test compare the performance of the CSMG for the one domain case and the two approaches for the multi-domain case on a GPU and CPU for different variants.
In this thesis, we present a new approach for estimating the effects of wind turbines for a local bat population. We build an individual based model (IBM) which simulates the movement behaviour of every single bat of the population with its own preferences, foraging behaviour and other species characteristics. This behaviour is normalized by a Monte-Carlo simulation which gives us the average behaviour of the population. The result is an occurrence map of the considered habitat which tells us how often the bat and therefore the considered bat population frequent every region of this habitat. Hence, it is possible to estimate the crossing rate of the position of an existing or potential wind turbine. We compare this individual based approach with a partial differential equation based method. This second approach produces a lower computational effort but, unfortunately, we lose information about the movement trajectories at the same time. Additionally, the PDE based model only gives us a density profile. Hence, we lose the information how often each bat crosses special points in the habitat in one night. In a next step we predict the average number of fatalities for each wind turbine in the habitat, depending on the type of the wind turbine and the behaviour of the considered bat species. This gives us the extra mortality caused by the wind turbines for the local population. This value is used for a population model and finally we can calculate whether the population still grows or if there already is a decline in population size which leads to the extinction of the population. Using the combination of all these models, we are able to evaluate the conflict of wind turbines and bats and to predict the result of this conflict. Furthermore, it is possible to find better positions for wind turbines such that the local bat population has a better chance to survive. Since bats tend to move in swarm formations under certain circumstances, we introduce swarm simulation using partial integro-differential equations. Thereby, we have a closer look at existence and uniqueness properties of solutions.
In der modernen Survey-Statistik treten immer häufifiger Optimierungsprobleme auf, die es zu lösen gilt. Diese sind oft von hoher Dimension und Simulationsstudien erfordern das mehrmalige Lösen dieser Optimierungsprobleme. Um dies in angemessener Zeit durchführen zu können, sind spezielle Algorithmen und Lösungsansätze erforderlich, welche in dieser Arbeit entwickelt und untersucht werden. Bei den Optimierungsproblemen handelt es sich zum einen um Allokationsprobleme zur Bestimmung optimaler Teilstichprobenumfänge. Hierbei werden neben auf einem Nullstellenproblem basierende, stetige Lösungsmethoden auch ganzzahlige, auf der Greedy-Idee basierende Lösungsmethoden untersucht und die sich ergebenden Optimallösungen miteinander verglichen.Zum anderen beschäftigt sich diese Arbeit mit verschiedenen Kalibrierungsproblemen. Hierzu wird ein alternativer Lösungsansatz zu den bisher praktizierten Methoden vorgestellt. Dieser macht das Lösen eines nichtglatten Nullstellenproblemes erforderlich, was mittels desrnnichtglatten Newton Verfahrens erfolgt. Im Zusammenhang mit nichtglatten Optimierungsalgorithmen spielt die Schrittweitensteuerung eine große Rolle. Hierzu wird ein allgemeiner Ansatz zur nichtmonotonen Schrittweitensteuerung bei Bouligand-differenzierbaren Funktionen betrachtet. Neben der klassischen Kalibrierung wird ferner ein Kalibrierungsproblem zur kohärenten Small Area Schätzung unter relaxierten Nebenbedingungen und zusätzlicher Beschränkung der Variation der Designgewichte betrachtet. Dieses Problem lässt sich in ein hochdimensionales quadratisches Optimierungsproblem umwandeln, welches die Verwendung von Lösern für dünn besetzte Optimierungsprobleme erfordert.Die in dieser Arbeit betrachteten numerischen Probleme können beispielsweise bei Zensen auftreten. In diesem Zusammenhang werden die vorgestellten Ansätze abschließend in Simulationsstudien auf eine mögliche Anwendung auf den Zensus 2011 untersucht, die im Rahmen des Zensus-Stichprobenforschungsprojektes untersucht wurden.
In this thesis we study structure-preserving model reduction methods for the efficient and reliable approximation of dynamical systems. A major focus is the approximation of a nonlinear flow problem on networks, which can, e.g., be used to describe gas network systems. Our proposed approximation framework guarantees so-called port-Hamiltonian structure and is general enough to be realizable by projection-based model order reduction combined with complexity reduction. We divide the discussion of the flow problem into two parts, one concerned with the linear damped wave equation and the other one with the general nonlinear flow problem on networks.
The study around the linear damped wave equation relies on a Galerkin framework, which allows for convenient network generalizations. Notable contributions of this part are the profound analysis of the algebraic setting after space-discretization in relation to the infinite dimensional setting and its implications for model reduction. In particular, this includes the discussion of differential-algebraic structures associated to the network-character of our problem and the derivation of compatibility conditions related to fundamental physical properties. Amongst the different model reduction techniques, we consider the moment matching method to be a particularly well-suited choice in our framework.
The Galerkin framework is then appropriately extended to our general nonlinear flow problem. Crucial supplementary concepts are required for the analysis, such as the partial Legendre transform and a more careful discussion of the underlying energy-based modeling. The preservation of the port-Hamiltonian structure after the model-order- and complexity-reduction-step represents a major focus of this work. Similar as in the analysis of the model order reduction, compatibility conditions play a crucial role in the analysis of our complexity reduction, which relies on a quadrature-type ansatz. Furthermore, energy-stable time-discretization schemes are derived for our port-Hamiltonian approximations, as structure-preserving methods from literature are not applicable due to our rather unconventional parametrization of the solution.
Apart from the port-Hamiltonian approximation of the flow problem, another topic of this thesis is the derivation of a new extension of moment matching methods from linear systems to quadratic-bilinear systems. Most system-theoretic reduction methods for nonlinear systems rely on multivariate frequency representations. Our approach instead uses univariate frequency representations tailored towards user-defined families of inputs. Then moment matching corresponds to a one-dimensional interpolation problem rather than to a multi-dimensional interpolation as for the multivariate approaches, i.e., it involves fewer interpolation frequencies to be chosen. The notion of signal-generator-driven systems, variational expansions of the resulting autonomous systems as well as the derivation of convenient tensor-structured approximation conditions are the main ingredients of this part. Notably, our approach allows for the incorporation of general input relations in the state equations, not only affine-linear ones as in existing system-theoretic methods.
The main achievement of this thesis is an analysis of the accuracy of computations with Loader's algorithm for the binomial density. This analysis in later progress of work could be used for a theorem about the numerical accuracy of algorithms that compute rectangle probabilities for scan statistics of a multinomially distributed random variable. An example that shall illustrate the practical use of probabilities for scan statistics is the following, which arises in epidemiology: Let n patients arrive at a clinic in d = 365 days, each of the patients with probability 1/d at each of these d days and all patients independently from each other. The knowledge of the probability, that there exist 3 adjacent days, in which together more than k patients arrive, helps deciding, after observing data, if there is a cluster which we would not suspect to have occurred randomly but for which we suspect there must be a reason. Formally, this epidemiological example can be described by a multinomial model. As multinomially distributed random variables are examples of Markov increments, which is a fact already used implicitly by Corrado (2011) to compute the distribution function of the multinomial maximum, we can use a generalized version of Corrado's Algorithm to compute the probability described in our example. To compute its result, the algorithm for rectangle probabilities for Markov increments always uses transition probabilities of the corresponding Markov Chain. In the multinomial case, the transition probabilities of the corresponding Markov Chain are binomial probabilities. Therefore, we start an analysis of accuracy of Loader's algorithm for the binomial density, which for example the statistical software R uses. With the help of accuracy bounds for the binomial density we would be able to derive accuracy bounds for the computation of rectangle probabilities for scan statistics of multinomially distributed random variables. To figure out how sharp derived accuracy bounds are, in examples these can be compared to rigorous upper bounds and rigorous lower bounds which we obtain by interval-arithmetical computations.
Recently, optimization has become an integral part of the aerodynamic design process chain. However, because of uncertainties with respect to the flight conditions and geometrical uncertainties, a design optimized by a traditional design optimization method seeking only optimality may not achieve its expected performance. Robust optimization deals with optimal designs, which are robust with respect to small (or even large) perturbations of the optimization setpoint conditions. The resulting optimization tasks become much more complex than the usual single setpoint case, so that efficient and fast algorithms need to be developed in order to identify, quantize and include the uncertainties in the overall optimization procedure. In this thesis, a novel approach towards stochastic distributed aleatory uncertainties for the specific application of optimal aerodynamic design under uncertainties is presented. In order to include the uncertainties in the optimization, robust formulations of the general aerodynamic design optimization problem based on probabilistic models of the uncertainties are discussed. Three classes of formulations, the worst-case, the chance-constrained and the semi-infinite formulation, of the aerodynamic shape optimization problem are identified. Since the worst-case formulation may lead to overly conservative designs, the focus of this thesis is on the chance-constrained and semi-infinite formulation. A key issue is then to propagate the input uncertainties through the systems to obtain statistics of quantities of interest, which are used as a measure of robustness in both robust counterparts of the deterministic optimization problem. Due to the highly nonlinear underlying design problem, uncertainty quantification methods are used in order to approximate and consequently simplify the problem to a solvable optimization task. Computationally demanding evaluations of high dimensional integrals resulting from the direct approximation of statistics as well as from uncertainty quantification approximations arise. To overcome the curse of dimensionality, sparse grid methods in combination with adaptive refinement strategies are applied. The reduction of the number of discretization points is an important issue in the context of robust design, since the computational effort of the numerical quadrature comes up in every iteration of the optimization algorithm. In order to efficiently solve the resulting optimization problems, algorithmic approaches based on multiple-setpoint ideas in combination with one-shot methods are presented. A parallelization approach is provided to overcome the amount of additional computational effort involved by multiple-setpoint optimization problems. Finally, the developed methods are applied to 2D and 3D Euler and Navier-Stokes test cases verifying their industrial usability and reliability. Numerical results of robust aerodynamic shape optimization under uncertain flight conditions as well as geometrical uncertainties are presented. Further, uncertainty quantification methods are used to investigate the influence of geometrical uncertainties on quantities of interest in a 3D test case. The results demonstrate the significant effect of uncertainties in the context of aerodynamic design and thus the need for robust design to ensure a good performance in real life conditions. The thesis proposes a general framework for robust aerodynamic design attacking the additional computational complexity of the treatment of uncertainties, thus making robust design in this sense possible.