Fast iterative solution of reaction-diffusion control problems arising from chemical processes

PDE-constrained optimization problems, and the development of preconditioned iterative methods for the efficient solution of the arising matrix system, is a field of numerical analysis that has recently been attracting much attention. In this paper, we analyze and develop preconditioners for matrix systems that arise from the optimal control of reaction-diffusion equations, which themselves result from chemical processes. Important aspects in our solvers are saddle point theory, mass matrix representation and effective Schur complement approximation, as well as the outer (Newton) iteration to take account of the nonlinearity of the underlying PDEs

Computing multiple solutions of topology optimization problems

Topology optimization problems often support multiple local minima due to a lack of convexity. Typically, gradient-based techniques combined with continuation in model parameters are used to promote convergence to more optimal solutions; however, these methods can fail even in the simplest cases. In this paper, we present an algorithm to perform a systematic exploratory search for the solutions of the optimization problem via second-order methods without a good initial guess. The algorithm combines the techniques of deflation, barrier methods and primal-dual active set solvers in a novel way. We demonstrate this approach on several numerical examples, observe mesh-independence in certain cases and show that multiple distinct local minima can be recovered

Preconditioning for Allen-Cahn variational inequalities with non-local constraints

The solution of Allen-Cahn variational inequalities with mass constraints is of interest in many applications. This problem can be solved both in its scalar and vector-valued form as a PDE-constrained optimization problem by means of a primal-dual active set method. At the heart of this method lies the solution of linear systems in saddle point form. In this paper we propose the use of Krylov-subspace solvers and suitable preconditioners for the saddle point systems. Numerical results illustrate the competitiveness of this approach

A Frame Work for the Error Analysis of Discontinuous Finite Element Methods for Elliptic Optimal Control Problems and Applications to C0C^0 IP methods

In this article, an abstract framework for the error analysis of discontinuous Galerkin methods for control constrained optimal control problems is developed. The analysis establishes the best approximation result from a priori analysis point of view and delivers reliable and efficient a posteriori error estimators. The results are applicable to a variety of problems just under the minimal regularity possessed by the well-posed ness of the problem. Subsequently, applications of $C^0$ interior penalty methods for a boundary control problem as well as a distributed control problem governed by the biharmonic equation subject to simply supported boundary conditions are discussed through the abstract analysis. Numerical experiments illustrate the theoretical findings. Finally, we also discuss the variational discontinuous discretization method (without discretizing the control) and its corresponding error estimates.Comment: 23 pages, 5 figures, 1 tabl

Preconditioners for state constrained optimal control problems with Moreau-Yosida penalty function

Optimal control problems with partial differential equations as constraints play an important role in many applications. The inclusion of bound constraints for the state variable poses a significant challenge for optimization methods. Our focus here is on the incorporation of the constraints via the Moreau-Yosida regularization technique. This method has been studied recently and has proven to be advantageous compared to other approaches. In this paper we develop robust preconditioners for the efficient solution of the Newton steps associated with solving the Moreau-Yosida regularized problem. Numerical results illustrate the efficiency of our approach

Simultaneous single-step one-shot optimization with unsteady PDEs

The single-step one-shot method has proven to be very efficient for PDE-constrained optimization where the partial differential equation (PDE) is solved by an iterative fixed point solver. In this approach, the simulation and optimization tasks are performed simultaneously in a single iteration. If the PDE is unsteady, finding an appropriate fixed point iteration is non-trivial. In this paper, we provide a framework that makes the single-step one-shot method applicable for unsteady PDEs that are solved by classical time-marching schemes. The one-shot method is applied to an optimal control problem with unsteady incompressible Navier-Stokes equations that are solved by an industry standard simulation code. With the Van-der-Pol oscillator as a generic model problem, the modified simulation scheme is further improved using adaptive time scales. Finally, numerical results for the advection-diffusion equation are presented. Keywords: Simultaneous optimization; One-shot method; PDE-constrained optimization; Unsteady PDE; Adaptive time scal

A Sequential Quadratic Programming Method for Volatility Estimation in Option Pricing

Our goal is to identify the volatility function in Dupire's equation from given option prices. Following an optimal control approach in a Lagrangian framework, we propose a globalized sequential quadratic programming (SQP) algorithm with a modified Hessian - to ensure that every SQP step is a descent direction - and implement a line search strategy. In each level of the SQP method a linear-quadratic optimal control problem with box constraints is solved by a primal-dual active set strategy. This guarantees L1 constraints for the volatility, in particular assuring its positivity. The proposed algorithm is founded on a thorough first- and second-order optimality analysis. We prove the existence of local optimal solutions and of a Lagrange multiplier associated with the inequality constraints. Furthermore, we prove a sufficient second-order optimality condition and present some numerical results underlining the good properties of the numerical scheme.Dupire equation, parameter identification, optimal control, optimality conditions, SQP method, primal-dual active set strategy