@article{LangSchmitt, author = {Lang, Jens and Schmitt, Bernhard A.}, title = {A Stiff MOL Boundary Control Problem for the 1D Heat Equation with Exact Discrete Solution}, volume = {Journal of Optimization Theory and Applications}, number = {Vol. 196}, doi = {https://doi.org/10.1007/s10957-022-02154-4}, pages = {1106 -- 1118}, abstract = {Method-of-lines discretizations are demanding test problems for stiff inte- gration methods. However, for PDE problems with known analytic solution the presence of space discretization errors or the need to use codes to compute reference solutions may limit the validity of numerical test results. To over- come these drawbacks we present in this short note a simple test problem with boundary control, a situation where one-step methods may suffer from order reduction. We derive exact formulas for the solution of an optimal boundary control problem governed by a one-dimensional discrete heat equation and an objective function that measures the distance of the final state from the target and the control costs. This analytical setting is used to compare the numeri- cally observed convergence orders for selected implicit Runge-Kutta and Peer two-step methods of classical order four which are suitable for optimal control problems.}, language = {en} } @article{StrelowGerischLangetal., author = {Strelow, Erik Laurin and Gerisch, Alf and Lang, Jens and Pfetsch, Marc E.}, title = {Physics-Informed Neural Networks: A Case Study for Gas Transport Problems}, volume = {Journal of Computational Physics}, number = {Vol. 481}, pages = {112041}, abstract = {Physics informed neural networks have been recently proposed and offer a new promising method to solve differential equations. They have been adapted to many more scenarios and different variations of the original method have been proposed. In this case study we review many of these variations. We focus on variants that can compensate for imbalances in the loss function and perform a comprehensive numerical comparison of these variants with application to gas transport problems. Our case study includes different formulations of the loss function, different algorithmic loss balancing methods, different optimization schemes and different numbers of parameters and sampling points. We conclude that the original PINN approach with specifically chosen constant weights in the loss function gives the best results in our tests. These weights have been obtained by a computationally expensive random-search scheme. We further conclude for our test case that loss balancing methods which were developed for other differential equations have no benefit for gas transport problems, that the control volume physics informed formulation has no benefit against the initial formulation and that the best optimization strategy is the L-BFGS method.}, language = {en} } @article{LangSchmitt, author = {Lang, Jens and Schmitt, Bernhard A.}, title = {Implicit A-Stable Peer Triplets for ODE Constrained Optimal Control Problems}, volume = {Algorithms}, number = {Vol. 15}, doi = {https://doi.org/10.3390/a15090310}, abstract = {This paper is concerned with the construction and convergence analysis of novel implicit Peer triplets of two-step nature with four stages for nonlinear ODE constrained optimal control problems. We combine the property of superconvergence of some standard Peer method for inner grid points with carefully designed starting and end methods to achieve order four for the state variables and order three for the adjoint variables in a first-discretize-then-optimize approach together with A-stability. The notion triplets emphasizes that these three different Peer methods have to satisfy additional matching conditions. Four such Peer triplets of practical interest are constructed. Also as a benchmark method, the well-known backward differentiation formula BDF4, which is only A(73.35)-stable, is extended to a special Peer triplet to supply an adjoint consistent method of higher order and BDF type with equidistant nodes. Within the class of Peer triplets, we found a diagonally implicit A(84)-stable method with nodes symmetric in [0,1] to a common center that performs equally well. Numerical tests with three well established optimal control problems confirm the theoretical findings also concerning A-stability.}, language = {en} } @unpublished{DomschkeGiesselmannLangetal.2023, author = {Domschke, Pia and Giesselmann, Jan and Lang, Jens and Breiten, Tobias and Mehrmann, Volker and Morandin, Riccardo and Hiller, Benjamin and Tischendorf, Caren}, title = {Gas Network Modeling: An Overview (Extended English Version)}, pages = {54}, year = {2023}, abstract = {With this overview we want to provide a compilation of different models for the description of gas flow in networks in order to facilitate the introduction to the topic. Special attention is paid to the hierarchical structure inherent to the modeling, and the detailed description of individual components such as valves and compressors. Also included are network model classes based on purely algebraic relations, and energy-based port-Hamiltonian models. A short overview of basic numerical methods and concepts for the treatment of hyperbolic balance equations is also given. We do not claim completeness and refer in many places to the existing literature.}, language = {en} } @unpublished{LangSchmitt2023, author = {Lang, Jens and Schmitt, Bernhard A.}, title = {Implicit Peer Triplets in Gradient-Based Solution Algorithms for ODE Constrained Optimal Control}, volume = {http://arxiv.org/abs/2303.18180}, year = {2023}, abstract = {It is common practice to apply gradient-based optimization algorithms to numerically solve large-scale ODE constrained optimal control problems. Gradients of the objective function are most efficiently computed by approximate adjoint variables. High accuracy with moderate computing time can be achieved by such time integration methods that satisfy a sufficiently large number of adjoint order conditions and supply gradients with higher orders of consistency. In this paper, we upgrade our former implicit two-step Peer triplets constructed in [Algorithms, 15:310, 2022] to meet those new requirements. Since Peer methods use several stages of the same high stage order, a decisive advantage is their lack of order reduction as for semi-discretized PDE problems with boundary control. Additional order conditions for the control and certain positivity requirements now intensify the demands on the Peer triplet. We discuss the construction of 4-stage methods with order pairs (4,3) and (3,3) in detail and provide three Peer triplets of practical interest. We prove convergence for s-stage methods, for instance, order s for the state variables even if the adjoint method and the control satisfy the conditions for order s-1, only. Numerical tests show the expected order of convergence for the new Peer triplets.}, language = {en} } @unpublished{GraserKreimeierWalther2024, author = {Graser, Gertrud and Kreimeier, Timo and Walther, Andrea}, title = {Solving Linear Generalized Nash Games Using an Active Signature Method}, year = {2024}, abstract = {We propose a method to solve linear generalized Nash equilibrium problems (LGNEPs). For this purpose, a reformulation of the LGNEPs as piecewise linear problems is considered. This requires the calculation of all vertices for a special kind of unbounded convex polyhedra. Then the active signature method for constrained abs-linear problems can be used to determine the Nash equilibria. We analyse the computational effort for the resulting solution procedure. This includes also the verification of suitable optimality conditions. Finally, we present and analyse numerical results for some test problems.}, language = {en} } @unpublished{AlldredgeFrankGiesselmann2023, author = {Alldredge, Graham and Frank, Martin and Giesselmann, Jan}, title = {On the convergence of the regularized entropy-based moment method for kinetic equations}, volume = {9}, doi = {https://doi.org/10.5802/smai-jcm.93}, pages = {1-29}, year = {2023}, abstract = {The entropy-based moment method is a well-known discretization for the velocity variable in kinetic equations which has many desirable theoretical properties but is difficult to implement with high-order numerical methods. The regularized entropy-based moment method was recently introduced to remove one of the main challenges in the implementation of the entropy-based moment method, namely the requirement of the realizability of the numerical solution. In this work we use the method of relative entropy to prove the convergence of the regularized method to the original method as the regularization parameter goes to zero and give convergence rates. Our main assumptions are the boundedness of the velocity domain and that the original moment solution is Lipschitz continuous in space and bounded away from the boundary of realizability. We provide results from numerical simulations showing that the convergence rates we prove are optimal.}, language = {en} } @unpublished{GiesselmannKolbe2023, author = {Giesselmann, Jan and Kolbe, Niklas}, title = {A posteriori error analysis of a positivity preserving scheme for the power-law diffusion Keller-Segel model}, year = {2023}, abstract = {We study a finite volume scheme approximating a parabolic-elliptic Keller-Segel system with power law diffusion with exponent γ∈[1,3] and periodic boundary conditions. We derive conditional a posteriori bounds for the error measured in the L∞(0,T;H1(Ω)) norm for the chemoattractant and by a quasi-norm-like quantity for the density. These results are based on stability estimates and suitable conforming reconstructions of the numerical solution. We perform numerical experiments showing that our error bounds are linear in mesh width and elucidating the behaviour of the error estimator under changes of γ.}, language = {en} } @unpublished{GiesselmannKwon2023, author = {Giesselmann, Jan and Kwon, Kiwoong}, title = {A posteriori error control for a Discontinuous Galerkin approximation of a Keller-Segel model}, year = {2023}, abstract = {We provide a posteriori error estimates for a discontinuous Galerkin scheme for the parabolic-elliptic Keller-Segel system in 2 or 3 space dimensions. The estimates are conditional, in the sense that an a posteriori computable quantity needs to be small enough - which can be ensured by mesh refinement - and optimal in the sense that the error estimator decays with the same order as the error under mesh refinement. A specific feature of our error estimator is that it can be used to prove existence of a weak solution up to a certain time based on numerical results.}, language = {en} } @unpublished{GiesselmannKrupa2023, author = {Giesselmann, Jan and Krupa, Sam}, title = {Theory of shifts, shocks, and the intimate connections to L2-type a posteriori error analysis of numerical schemes for hyperbolic problems}, year = {2023}, abstract = {In this paper, we develop reliable a posteriori error estimates for numerical approximations of scalar hyperbolic conservation laws in one space dimension. Our methods have no inherent small-data limitations and are a step towards error control of numerical schemes for systems. We are careful not to appeal to the Kruzhkov theory for scalar conservation laws. Instead, we derive novel quantitative stability estimates that extend the theory of shifts, and in particular, the framework for proving stability first developed by the second author and Vasseur. This is the first time this methodology has been used for quantitative estimates. We work entirely within the context of the theory of shifts and a-contraction, techniques which adapt well to systems. In fact, the stability framework by the second author and Vasseur has itself recently been pushed to systems [Chen-Krupa-Vasseur. Uniqueness and weak-BV stability for 2×2 conservation laws. Arch. Ration. Mech. Anal., 246(1):299--332, 2022]. Our theoretical findings are complemented by a numerical implementation in MATLAB and numerical experiments.}, language = {en} }