Optimal time delays in a class of reaction-diffusion equations

A class of semilinear parabolic reaction diffusion equations with multiple time delays is considered. These time delays and corresponding weights are to be optimized such that the associated solution of the delay equation is the best approximation of a desired state function. The differentiability of the mapping is proved that associates the solution of the delay equation to the vector of weights and delays. Based on an adjoint calculus, first-order necessary optimality conditions are derived. Numerical test examples show the applicability of the concept of optimizing time delays.Comment: 17 pages, 2 figure

Optimization with nonstationary, nonlinear monolithic fluid-structure interaction

Within this work, we consider optimization settings for nonlinear, nonstationary fluid-structure interaction. The problem is formulated in a monolithic fashion using the arbitrary Lagrangian-Eulerian framework to set-up the fluid-structure forward problem. In the optimization approach, either optimal control or parameter estimation problems are treated. In the latter, the stiffness of the solid is estimated from given reference values. In the numerical solution, the optimization problem is solved with a gradient-based solution algorithm. The nonlinear subproblems of the FSI forward problem are solved with a Newton method including line search. Specifically, we will formally provide the backward-in-time running adjoint state used for gradient computations. Our algorithmic developments are demonstrated with some numerical examples as for instance extensions of the well-known fluid-structure benchmark settings and a flapping membrane test in a channel flow with elastic walls.Comment: 23 pages, 6 figures, 6 table

Iterative Surrogate Model Optimization (ISMO): An active learning algorithm for PDE constrained optimization with deep neural networks

We present a novel active learning algorithm, termed as iterative surrogate model optimization (ISMO), for robust and efficient numerical approximation of PDE constrained optimization problems. This algorithm is based on deep neural networks and its key feature is the iterative selection of training data through a feedback loop between deep neural networks and any underlying standard optimization algorithm. Under suitable hypotheses, we show that the resulting optimizers converge exponentially fast (and with exponentially decaying variance), with respect to increasing number of training samples. Numerical examples for optimal control, parameter identification and shape optimization problems for PDEs are provided to validate the proposed theory and to illustrate that ISMO significantly outperforms a standard deep neural network based surrogate optimization algorithm

Memory efficient approaches of second order for optimal control problems

Consider a time-dependent optimal control problem, where the state evolution is described by an initial value problem. There are a variety of numerical methods to solve these problems. The so-called indirect approach is considered detailed in this thesis. The indirect methods solve decoupled boundary value problems resulting from the necessary conditions for the optimal control problem. The so-called Pantoja method describes a computationally efficient stage-wise construction of the Newton direction for the discrete-time optimal control problem. There are many relationships between multiple shooting techniques and Pantoja method, which are investigated in this thesis. In this context, the equivalence of Pantoja method and multiple shooting method of Riccati type is shown. Moreover, Pantoja method is extended to the case where the state equations are discretised using one of implicit numerical methods. Furthermore, the concept of symplecticness and Hamiltonian systems is introduced. In this regard, a suitable numerical method is presented, which can be applied to unconstrained optimal control problems. It is proved that this method is a symplectic one. The iterative solution of optimal control problems in ordinary differential equations by Pantoja or Riccati equivalent methods leads to a succession of triple sweeps through the discretised time interval. The second (adjoint) sweep relies on information from the first (original) sweep, and the third (final) sweep depends on both of them. Typically, the steps on the adjoint sweep involve more operations and require more storage than the other two. The key difficulty is given by the enormous amount of memory required for the implementation of these methods if all states throughout forward and adjoint sweeps are stored. One of goals of this thesis is to present checkpointing techniques for memory reduced implementation of these methods. For this purpose, the well known aspect of checkpointing has to be extended to a `nested checkpointing` for multiple transversals. The proposed nested reversal schedules drastically reduce the required spatial complexity. The schedules are designed to minimise the overall execution time given a certain total amount of storage for the checkpoints. The proposed scheduling schemes are applied to the memory reduced implementation of the optimal control problem of laser surface hardening and other optimal control problems.Es wird ein Problem der optimalen Steuerung betrachtet. Die dazugehoerigen Zustandsgleichungen sind mit einer Anfangswertaufgabe definiert. Es existieren zahlreiche numerische Methoden, um Probleme der optimalen Steuerung zu loesen. Der so genannte indirekte Ansatz wird in diesen Thesen detailliert betrachtet. Die indirekten Methoden loesen das aus den Notwendigkeitsbedingungen resultierende Randwertproblem. Das so genannte Pantoja Verfahren beschreibt eine zeiteffiziente schrittweise Berechnung der Newton Richtung fuer diskrete Probleme der optimalen Steuerung. Es gibt mehrere Beziehungen zwischen den unterschiedlichen Mehrzielmethoden und dem Pantoja Verfahren, die in diesen Thesen detailliert zu untersuchen sind. In diesem Zusammenhang wird die aequivalence zwischen dem Pantoja Verfahren und der Mehrzielmethode vom Riccati Typ gezeigt. Ausserdem wird das herkoemlige Pantoja Verfahren dahingehend erweitert, dass die Zustandsgleichungen mit Hilfe einer impliziten numerischen Methode diskretisiert sind. Weiterhin wird das Symplektische Konzept eingefuehrt. In diesem Zusammenhang wird eine geeignete numerische Methode praesentiert, die fuer ein unrestringiertes Problem der optimalen Steuerung angewendet werden kann. In diesen Thesen wird bewiesen, dass diese Methode symplectisch ist. Das iterative Loesen eines Problems der optimalen Steuerung in gewoenlichen Differentialgleichungen mit Hilfe von Pantoja oder Riccati aequivalenten Verfahren fuehrt auf eine Aufeinanderfolge der Durchlaeufetripeln in einem diskretisierten Zeitintervall. Der zweite (adjungierte) Lauf haengt von der Information des ersten (primalen) Laufes, und der dritte (finale) Lauf haeng von den beiden vorherigen ab. Ueblicherweise beinhalten Schritte und Zustaende des adjungierten Laufes wesentlich mehr Operationen und benoetigen auch wesentlich mehr Speicherplatzkapazitaet als Schritte und Zustaende der anderen zwei Durchlaeufe. Das Grundproblem besteht in einer enormen Speicherplatzkapazitaet, die fuer die Implementierung dieser Methoden benutzt wird, falls alle Zustaende des primalen und des adjungierten Durchlaufes zu speichern sind. Ein Ziel dieser Thesen besteht darin, Checkpointing Strategien zu praesentieren, um diese Methoden speichereffizient zu implementieren. Diese geschachtelten Umkehrschemata sind so konstruiert, dass fuer einen gegebenen Speicherplatz die gesamte Laufzeit zur Abarbeitung des Umkehrschemas minimiert wird. Die aufgestellten Umkehrschemata wurden fuer eine speichereffiziente Implementierung von Problemen der optimalen Steuerung angewendet. Insbesondere betrifft dies das Problem einer Oberflaechenabhaertung mit Laserbehandlung

Discrete Adjoints: Theoretical Analysis, Efficient Computation, and Applications

The technique of automatic differentiation provides directional derivatives and discrete adjoints with working accuracy. A complete complexity analysis of the basic modes of automatic differentiation is available. Therefore, the research activities are focused now on different aspects of the derivative calculation, as for example the efficient implementation by exploitation of structural information, studies of the theoretical properties of the provided derivatives in the context of optimization problems, and the development and analysis of new mathematical algorithms based on discrete adjoint information. According to this motivation, this habilitation presents an analysis of different checkpointing strategies to reduce the memory requirement of the discrete adjoint computation. Additionally, a new algorithm for computing sparse Hessian matrices is presented including a complexity analysis and a report on practical experiments. Hence, the first two contributions of this thesis are dedicated to an efficient computation of discrete adjoints. The analysis of discrete adjoints with respect to their theoretical properties is another important research topic. The third and fourth contribution of this thesis focus on the relation of discrete adjoint information and continuous adjoint information for optimal control problems. Here, differences resulting from different discretization strategies as well as convergence properties of the discrete adjoints are analyzed comprehensively. In the fifth contribution, checkpointing approaches that are successfully applied for the computation of discrete adjoints, are adapted such that they can be used also for the computation of continuous adjoints. Additionally, the fifth contributions presents a new proof of optimality for the binomial checkpointing that is based on new theoretical results. Discrete adjoint information can be applied for example for the approximation of dense Jacobian matrices. The development and analysis of new mathematical algorithms based on these approximate Jacobians is the topic of the sixth contribution. Is was possible to show global convergence to first-order critical points for a whole class of trust-region methods. Here, the usage of inexact Jacobian matrices allows a considerable reduction of the computational complexity