TY - GEN A1 - Hoppmann-Baum, Kai A1 - Hennings, Felix A1 - Zittel, Janina A1 - Gotzes, Uwe A1 - Spreckelsen, Eva-Maria A1 - Spreckelsen, Klaus A1 - Koch, Thorsten T1 - From Natural Gas towards Hydrogen - A Feasibility Study on Current Transport Network Infrastructure and its Technical Control N2 - This study examines the usability of a real-world, large-scale natural gas transport infrastructure for hydrogen transport. We investigate whether a converted network can transport the amounts of hydrogen necessary to satisfy current energy demands. After introducing an optimization model for the robust transient control of hydrogen networks, we conduct computational experiments based on real-world demand scenarios. Using a representative network, we demonstrate that replacing each turbo compressor unit by four parallel hydrogen compressors, each of them comprising multiple serial compression stages, and imposing stricter rules regarding the balancing of in- and outflow suffices to realize transport in a majority of scenarios. However, due to the reduced linepack there is an increased need for technical and non-technical measures leading to a more dynamic network control. Furthermore, the amount of energy needed for compression increases by 364% on average. T3 - ZIB-Report - 20-27 KW - Hydrogen Transport KW - Hydrogen Infrastructure KW - Network Flows KW - Mixed Integer Programming KW - Energiewende Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-79901 SN - 1438-0064 ER - TY - GEN A1 - Yueksel-Erguen, Inci A1 - Zittel, Janina A1 - Wang, Ying A1 - Hennings, Felix A1 - Koch, Thorsten T1 - Lessons learned from gas network data preprocessing N2 - The German high-pressure natural gas transport network consists of thousands of interconnected elements spread over more than 120,000 km of pipelines built during the last 100 years. During the last decade, we have spent many person-years to extract consistent data out of the available sources, both public and private. Based on two case studies, we present some of the challenges we encountered. Preparing consistent, high-quality data is surprisingly hard, and the effort necessary can hardly be overestimated. Thus, it is particularly important to decide which strategy regarding data curation to adopt. Which precision of the data is necessary? When is it more efficient to work with data that is just sufficiently correct on average? In the case studies we describe our experiences and the strategies we adopted to deal with the obstacles and to minimize future effort. Finally, we would like to emphasize that well-compiled data sets, publicly available for research purposes, provide the grounds for building innovative algorithmic solutions to the challenges of the future. T3 - ZIB-Report - 20-13 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78262 SN - 1438-0064 ER - TY - GEN A1 - Griewank, Andreas A1 - Streubel, Tom A1 - Tischendorf, Caren T1 - On the abs-polynomial expansion of piecewise smooth functions N2 - Tom Streubel has observed that for functions in abs-normal form, generalized Taylor expansions of arbitrary order $\bar d-1$ can be generated by algorithmic piecewise differentiation. Abs-normal form means that the real or vector valued function is defined by an evaluation procedure that involves the absolute value function $|...|$ apart from arithmetic operations and $\bar d$ times continuously differentiable univariate intrinsic functions. The additive terms in Streubel's expansion are abs-polynomial, i.e. involve neither divisions nor intrinsics. When and where no absolute values occur, Moore's recurrences can be used to propagate univariate Taylor polynomials through the evaluation procedure with a computational effort of $\mathcal O({\bar d}^2)$, provided all univariate intrinsics are defined as solutions of linear ODEs. This regularity assumption holds for all standard intrinsics, but for irregular elementaries one has to resort to Faa di Bruno's formula, which has exponential complexity in $\bar d$. As already conjectured we show that the Moore recurrences can be adapted for regular intrinsics to the abs-normal case. Finally, we observe that where the intrinsics are real analytic the expansions can be extended to infinite series that converge absolutely on spherical domains. T3 - ZIB-Report - 20-14 KW - Nonsmooth Taylor polynomial/series KW - forward mode propagation KW - abs-normal form KW - abs-linear form KW - absolute convergence KW - Moore recurrences KW - quadratic complexity Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78448 SN - 1438-0064 ER - TY - GEN A1 - Becker, Kai-Helge A1 - Hiller, Benjamin T1 - Improved optimization models for potential-driven network flow problems via ASTS orientations N2 - The class of potential-driven network flow problems provides important models for a range of infrastructure networks that lead to hard-to-solve MINLPs in real-world applications. On large-scale meshed networks the relaxations usually employed are rather weak due to cycles in the network. To address this situation, we introduce the concept of ASTS orientations, a generalization of bipolar orientations, as a combinatorial relaxation of feasible solutions of potential-driven flow problems, study their structure, and show how they can be used to strengthen existing relaxations and thus provide improved optimization models. Our computational results indicate that ASTS orientations can be used to derive much stronger bounds on the flow variables than existing bound tightening methods and to yield significant performance improvements for an existing state-of-the-art MILP model for large-scale gas networks. T3 - ZIB-Report - 19-58 KW - potential-driven network flows KW - mixed-integer nonlinear programming KW - ASTS orientations KW - bipolar orientations Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-75347 SN - 1438-0064 ER - TY - GEN A1 - Gamrath, Gerald A1 - Koch, Thorsten A1 - Martin, Alexander A1 - Miltenberger, Matthias A1 - Weninger, Dieter T1 - Progress in Presolving for Mixed Integer Programming N2 - Presolving attempts to eliminate redundant information from the problem formulation and simultaneously tries to strengthen the formulation. It can be very effective and is often essential for solving instances. Especially for mixed integer programming problems, fast and effective presolving algorithms are very important. In this paper, we report on three new presolving techniques. The first method searches for singleton continuous columns and tries to fix the corresponding variables. Then we present a presolving technique which exploits a partial order of the variables to induce fixings. Finally, we show an approach based on connected components in graphs. Our computational results confirm the profitable use of the algorithms in practice. T3 - ZIB-Report - 13-48 KW - mixed-integer programming KW - presolving KW - preprocessing Y1 - 2013 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-42530 SN - 1438-0064 ER - TY - GEN A1 - Hasenfelder, Richard A1 - Lehmann, Lutz A1 - Radons, Manuel A1 - Streubel, Tom A1 - Strohm, Christian A1 - Griewank, Andreas T1 - Computational aspects of the Generalized Trapezoidal Rule N2 - In this article we analyze a generalized trapezoidal rule for initial value problems with piecewise smooth right hand side F:IR^n -> IR^n. When applied to such a problem, the classical trapezoidal rule suffers from a loss of accuracy if the solution trajectory intersects a non-differentiability of F. In such a situation the investigated generalized trapezoidal rule achieves a higher convergence order than the classical method. While the asymptotic behavior of the generalized method was investigated in a previous work, in the present article we develop the algorithmic structure for efficient implementation strategies and estimate the actual computational cost of the latter. Moreover, energy preservation of the generalized trapezoidal rule is proved for Hamiltonian systems with piecewise linear right hand side. T3 - ZIB-Report - 18-23 KW - Algorithmic Differentiation KW - Automatic Differentiation KW - Lipschitz Continuity KW - Piecewise Linearization KW - Nonsmooth KW - Trapezoidal Rule KW - Implementation KW - Computational Cost Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-68615 SN - 1438-0064 ER - TY - GEN A1 - Streubel, Tom A1 - Tischendorf, Caren A1 - Griewank, Andreas T1 - Piecewise Polynomial Taylor Expansions – The Generalization of Faà di Bruno’s Formula N2 - We present an extension of Taylor’s theorem towards nonsmooth evalua- tion procedures incorporating absolute value operaions. Evaluations procedures are computer programs of mathematical functions in closed form expression and al- low a different treatment of smooth operations and calls to the absolute value value function. The well known classical Theorem of Taylor defines polynomial approx- imation of sufficiently smooth functions and is widely used for the derivation and analysis of numerical integrators for systems of ordinary differential or differential algebraic equations, for the construction of solvers for the continuous nonlinear op- timization of finite dimensional objective functions and for root solving of nonlinear systems of equations. The herein provided proof is construtive and allow efficiently designed algorithms for the execution and computation of generalized piecewise polynomial expansions. As a demonstration we will derive a k-step method on the basis of polynomial interpolation and the proposed generalized expansions. T3 - ZIB-Report - 18-24 KW - generalized Taylor expansion KW - implicit generation of splines KW - nonsmooth integration of differential algebraic equations (DAE and ODE) KW - multistep methods KW - generalized hermite interpolation KW - algorithmic piecewise differentiation (AD and APD) KW - evaluation procedures KW - treating absolute values (abs, max and min) Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-68859 SN - 1438-0064 ER - TY - GEN A1 - Lenz, Ralf A1 - Becker, Kai-Helge T1 - Optimization of Capacity Expansion in Potential-driven Networks including Multiple Looping - A comparison of modelling approaches N2 - In commodity transport networks such as natural gas, hydrogen and water networks, flows arise from nonlinear potential differences between the nodes, which can be represented by so-called "potential-driven" network models. When operators of these networks face increasing demand or the need to handle more diverse transport situations, they regularly seek to expand the capacity of their network by building new pipelines parallel to existing ones ("looping"). The paper introduces a new mixed-integer non-linear programming (MINLP) model and a new non-linear programming (NLP) model and compares these with existing models for the looping problem and related problems in the literature, both theoretically and experimentally. On this basis, we give recommendations about the circumstances under which a certain model should be used. In particular, it turns out that one of our novel models outperforms the existing models. Moreover, the paper is the first to include the practically relevant option that a particular pipeline may be looped several times. T3 - ZIB-Report - 18-44 KW - OR in energy KW - Network expansion KW - MINLP Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-69726 SN - 1438-0064 ER - TY - GEN A1 - Radons, Manuel A1 - Lehmann, Lutz A1 - Streubel, Tom A1 - Griewank, Andreas T1 - An Open Newton Method for Piecewise Smooth Systems N2 - Recent research has shown that piecewise smooth (PS) functions can be approximated by piecewise linear functions with second order error in the distance to a given reference point. A semismooth Newton type algorithm based on successive application of these piecewise linearizations was subsequently developed for the solution of PS equation systems. For local bijectivity of the linearization at a root, a radius of quadratic convergence was explicitly calculated in terms of local Lipschitz constants of the underlying PS function. In the present work we relax the criterium of local bijectivity of the linearization to local openness. For this purpose a weak implicit function theorem is proved via local mapping degree theory. It is shown that there exist PS functions f:IR^2 --> IR^2 satisfying the weaker criterium where every neighborhood of the root of f contains a point x such that all elements of the Clarke Jacobian at x are singular. In such neighborhoods the steps of classical semismooth Newton are not defined, which establishes the new method as an independent algorithm. To further clarify the relation between a PS function and its piecewise linearization, several statements about structure correspondences between the two are proved. Moreover, the influence of the specific representation of the local piecewise linear models on the robustness of our method is studied. An example application from cardiovascular mathematics is given. T3 - ZIB-Report - 18-43 Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-70418 SN - 1438-0064 ER - TY - GEN A1 - Becker, Kai-Helge A1 - Hiller, Benjamin T1 - ASTS Orientations on Undirected Graphs: Structural analysis and enumeration N2 - All feasible flows in potential-driven networks induce an orientation on the undirected graph underlying the network. Clearly, these orientations must satisfy two conditions: they are acyclic and there are no "dead ends" in the network, i.e. each source requires outgoing flows, each sink requires incoming flows, and each transhipment vertex requires both an incoming and an outgoing flow. In this paper we will call orientations that satisfy these conditions acyclic source-transhipment-sink orientations (ASTS-orientation) and study their structure. In particular, we characterize graphs that allow for such an orientation, describe a way to enumerate all possible ASTS-orientations of a given graph, present an algorithm to simplify and decompose a graph before such an enumeration and shed light on the role of zero flows in the context of ASTS-orientations. T3 - ZIB-Report - 18-31 Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-69632 SN - 1438-0064 ER - TY - GEN A1 - Hiller, Benjamin A1 - Becker, Kai-Helge T1 - Improving relaxations for potential-driven network flow problems via acyclic flow orientations N2 - The class of potential-driven network flow problems provides important models for a range of infrastructure networks. For real-world applications, they need to be combined with integer models for switching certain network elements, giving rise to hard-to-solve MINLPs. We observe that on large-scale real-world meshed networks the usually employed relaxations are rather weak due to cycles in the network. We propose acyclic flow orientations as a combinatorial relaxation of feasible solutions of potential-driven flow problems and show how they can be used to strengthen existing relaxations. First computational results indicate that the strengthend model is much tighter than the original relaxation, thus promising a computational advantage. T3 - ZIB-Report - 18-30 KW - potential-driven network flows KW - acyclic orientations KW - flow orientations KW - MINLPs Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-69622 SN - 1438-0064 ER - TY - GEN A1 - Schweiger, Jonas T1 - Exploiting structure in non-convex quadratic optimization N2 - 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 poses principal difficulties. This paper summarizes the dissertation of Jonas Schweiger for the occasion of the GOR dissertation award 2018. We focus on the work on non-convex quadratic programs and show how problem specific structure can be used to obtain tight relaxations and speed up Branch&Bound methods. Both a classic general QP and the Pooling Problem as an important practical application serve as showcases. T3 - ZIB-Report - 18-35 KW - Nonconvexity KW - Quadratic Programming KW - Relaxations KW - Cutting Planes KW - Standard Quadratic Programming KW - Pooling Problem Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-69476 SN - 1438-0064 ER - TY - GEN A1 - Anderson, Lovis A1 - Hiller, Benjamin T1 - A Sweep-Plane Algorithm for the Computation of the Volume of a Union of Polytopes N2 - Optimization models often feature disjunctions of polytopes as submodels. Such a disjunctive set is initially (at best) relaxed to its convex hull, which is then refined by branching. To measure the error of the convex relaxation, the (relative) difference between the volume of the convex hull and the volume of the disjunctive set may be used. This requires a method to compute the volume of the disjunctive set. Naively, this can be done via inclusion/exclusion and leveraging the existing code for the volume of polytopes. However, this is often inefficient. We propose a revised variant of an old algorithm by Bieri and Nef (1983) for this purpose. The algorithm uses a sweep-plane to incrementally calculate the volume of the disjunctive set as a function of the offset parameter of the sweep-plane. T3 - ZIB-Report - 18-37 KW - Disjunctive Programming KW - Volume Algorithm KW - Union of Polytopes Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-69489 SN - 1438-0064 ER -