TY - GEN A1 - Borndörfer, Ralf A1 - Schwartz, Stephan A1 - Surau, William T1 - Rooted Maximum Weight Connected Subgraphs with Balancing and Capacity Constraints T3 - ZIB-Report - 21-34 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-84427 SN - 1438-0064 ER - TY - GEN A1 - Tack, Alexander A1 - Shestakov, Alexey A1 - Lüdke, David A1 - Zachow, Stefan T1 - A deep multi-task learning method for detection of meniscal tears in MRI data from the Osteoarthritis Initiative database N2 - We present a novel and computationally efficient method for the detection of meniscal tears in Magnetic Resonance Imaging (MRI) data. Our method is based on a Convolutional Neural Network (CNN) that operates on a complete 3D MRI scan. Our approach detects the presence of meniscal tears in three anatomical sub-regions (anterior horn, meniscal body, posterior horn) for both the Medial Meniscus (MM) and the Lateral Meniscus (LM) individually. For optimal performance of our method, we investigate how to preprocess the MRI data or how to train the CNN such that only relevant information within a Region of Interest (RoI) of the data volume is taken into account for meniscal tear detection. We propose meniscal tear detection combined with a bounding box regressor in a multi-task deep learning framework to let the CNN implicitly consider the corresponding RoIs of the menisci. We evaluate the accuracy of our CNN-based meniscal tear detection approach on 2,399 Double Echo Steady-State (DESS) MRI scans from the Osteoarthritis Initiative database. In addition, to show that our method is capable of generalizing to other MRI sequences, we also adapt our model to Intermediate-Weighted Turbo Spin-Echo (IW TSE) MRI scans. To judge the quality of our approaches, Receiver Operating Characteristic (ROC) curves and Area Under the Curve (AUC) values are evaluated for both MRI sequences. For the detection of tears in DESS MRI, our method reaches AUC values of 0.94, 0.93, 0.93 (anterior horn, body, posterior horn) in MM and 0.96, 0.94, 0.91 in LM. For the detection of tears in IW TSE MRI data, our method yields AUC values of 0.84, 0.88, 0.86 in MM and 0.95, 0.91, 0.90 in LM. In conclusion, the presented method achieves high accuracy for detecting meniscal tears in both DESS and IW TSE MRI data. Furthermore, our method can be easily trained and applied to other MRI sequences. T3 - ZIB-Report - 21-33 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-84415 SN - 1438-0064 ER - TY - GEN A1 - Masing, Berenike A1 - Lindner, Niels A1 - Borndörfer, Ralf T1 - Optimal Line Plans in the Parametric City and the Impact of In-Motion Costs N2 - Line planning in public transport involves determining vehicle routes and assigning frequencies of service such that travel demands are satisfied. We evaluate how line plans, which are optimal with respect to in-motion costs (IMC), the objective function depending purely on arc-lengths for both user and operator costs, performs with respect to the value of resources consumed (VRC). The latter is an elaborate, socio-economic cost function which includes discomfort caused by delay, boarding and alighting times, and transfers. Even though discomfort is a large contributing factor to VRC and is entirely disregarded in IMC, we observe that the two cost functions are qualitatively comparable. T3 - ZIB-Report - 21-27 KW - line planning KW - public transport KW - mixed-integer prgramming Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-84195 SN - 1438-0064 ER - TY - GEN A1 - Euler, Ricardo A1 - Borndörfer, Ralf A1 - Strunk, Timo A1 - Takkula, Tuomo T1 - ULD Build-Up Scheduling with Dynamic Batching in an Air Freight Hub N2 - Air freight is usually shipped in standardized unit load devices (ULDs). The planning process for the consolidation of transit cargo from inbound flights or locally emerging shipments into ULDs for outbound flights is called build-up scheduling. More specifically, outbound ULDs must be assigned a time and a workstation subject to both workstation capacity constraints and the availability of shipments which in turn depends on break-down decisions for incoming ULDs. ULDs scheduled for the same outbound flight should be built up in temporal and spatial proximity. This serves both to minimize overhead in transportation times and to allow workers to move freight between ULDs. We propose to address this requirement by processing ULDs for the same outbound flight in batches. For the above build-up scheduling problem, we introduce a multi-commodity network design model. Outbound flights are modeled as commodities; transit cargo is represented by cargo flow volume and unpack and batch decisions are represented as design variables. The model is solved with standard MIP solvers on a set of benchmark data. For instances with a limited number of resource conflicts, near-optimal solutions are found in under two hours for a whole week of operations. T3 - ZIB-Report - 21-31 KW - Logistics KW - Airline Applications Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-83482 SN - 1438-0064 ER - TY - GEN A1 - Hosoda, Junko A1 - Maher, Stephen J. A1 - Shinano, Yuji A1 - Villumsen, Jonas Christoffer T1 - Location, transshipment and routing: An adaptive transportation network integrating long-haul and local vehicle routing N2 - The routing of commodities is a tactical problem in supply chain management that aims to synchronise transportation services connecting a network of warehouses and consolidation locations. This paper considers the routing of commodities in a transportation network that is flexible in response to demand through changes to regional warehouse clustering and the designation of consolidation locations. Traditionally, warehouse clustering and consolidation locations are determined as part of strategic planning that is performed months to years in advance of operations---limiting the flexibility in transportation networks to respond to changes in demand. A mathematical programming-based algorithmic framework is proposed to integrate the strategic decisions of location planning with tactical decisions of vehicle routing and synchronisation. A multi-armed bandit problem is developed to explore warehouse clustering decisions and exploit those that lead to small transportation costs. An extensive computational study will show that the proposed algorithmic framework effectively integrates strategic and tactical planning decisions to reduce the overall transportation costs. T3 - ZIB-Report - 21-12 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-83438 ER - TY - GEN A1 - Lindner, Niels A1 - van Lieshout, Rolf T1 - Benders Decomposition for the Periodic Event Scheduling Problem N2 - The Periodic Event Scheduling Problem (PESP) is the central mathematical model behind the optimization of periodic timetables in public transport. We apply Benders decomposition to the incidence-based MIP formulation of PESP. The resulting formulation exhibits particularly nice features: The subproblem is a minimum cost network flow problem, and feasibility cuts are equivalent to the well-known cycle inequalities by Odijk. We integrate the Benders approach into a branch-and-cut framework, and assess the performance of this method on instances derived from the benchmarking library PESPlib. T3 - ZIB-Report - 21-29 KW - Periodic Timetabling KW - Periodic Event Scheduling Problem KW - Benders Decomposition KW - Mixed-Integer Programming Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-83338 SN - 1438-0064 ER - TY - GEN A1 - Masing, Berenike T1 - Optimal Line Planning in the Parametric City N2 - We formulate the line planning problem in public transport as a mixed integer linear program (MILP), which selects both passenger and vehicle routes, such that travel demands are met with respect to minimized travel times for both operators and users. We apply MILP to the Parametric City, a generic city model developed by Fielbaum et al. While the infrastructure graph and demand are entirely rotation symmetric, asymmetric optimal line plans can occur. Using group theory, we analyze the properties of symmetric solutions and introduce a symmetry gap to measure their deviation of the optimum. We also develop a 1+(1+\sqrt{2})/g-approximation algorithm, depending only on the cost related parameter g. Supported by computational experiments, we conclude that in practice symmetric line plans provide good solutions for the line planning problem in the Parametric City. T3 - ZIB-Report - 21-26 KW - line planning KW - city modelling KW - symmetry KW - mixed integer programming KW - approximation algorithm Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-83238 SN - 1438-0064 ER - TY - CHAP A1 - Borndörfer, Ralf A1 - Schwartz, Stephan A1 - Surau, William T1 - Finding Minimum Balanced Separators - an Exact Approach T2 - Operations Research Proceedings 2021 N2 - Balanced separators are node sets that split the graph into size bounded components. They find applications in different theoretical and practical problems. In this paper we discuss how to find a minimum set of balanced separators in node weighted graphs. Our contribution is a new and exact algorithm that solves Minimum Balanced Separators by a sequence of Hitting Set problems. The only other exact method appears to be a mixed-integer program (MIP) for the edge weighted case. We adapt this model to node weighted graphs and compare it to our approach on a set of instances, resembling transit networks. It shows that our algorithm is far superior on almost all test instances. T3 - ZIB-Report - 21-25 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-83138 SN - 1438-0064 SP - 154 EP - 159 ER - TY - JOUR A1 - Zakiyeva, Nazgul A1 - Xu, X. T1 - Nonlinear network autoregressive model with application to natural gas network forecasting JF - Mathematics Japonica T3 - ZIB-Report - 21-24 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81025 ER - TY - GEN A1 - Zakiyeva, Nazgul A1 - Petkovic, Milena T1 - Modeling and forecasting gas network flows with multivariate time series and mathematical programming approach N2 - With annual consumption of approx. 95 billion cubic me-ters and similar amounts of gas just transshipped through Germany toother EU states, Germany’s gas transport system plays a vital role inEuropean energy supply. The complex, more than 40,000 km long high-pressure transmission network is controlled by several transmission sys-tem operators (TSOs) whose main task is to provide security of supplyin a cost-efficient way. Given the slow speed of gas flows through the gastransmission network pipelines, it has been an essential task for the gasnetwork operators to enhance the forecast tools to build an accurate andeffective gas flow prediction model for the whole network. By incorpo-rating the recent progress in mathematical programming and time seriesmodeling, we aim to model natural gas network and predict gas in- andout-flows at multiple supply and demand nodes for different forecastinghorizons. Our model is able to describe the dynamics in the network bydetecting the key nodes, which may help to build an optimal manage-ment strategy for transmission system operators. T3 - ZIB-Report - 21-23 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82966 SN - 1438-0064 ER - TY - GEN A1 - Petkovic, Milena A1 - Zakiyeva, Nazgul A1 - Zittel, Janina T1 - Statistical analysis and modeling for detecting regime changes in gas nomination time series N2 - As a result of the legislation for gas markets introduced by the European Union in 2005, separate independent companies have to conduct the transport and trading of natural gas. The current gas market of Germany, which has a market value of more than 54 billion USD, consists of Transmission System Operators (TSO), network users, and traders. Traders can nominate a certain amount of gas anytime and anywhere in the network. Such unrestricted access for the traders, on the other hand, increase the uncertainty in the gas supply management. Some customers’ behaviors may cause abrupt structural changes in gas flow time series. In particular, it is a challenging task for the TSO operators to predict gas nominations 6 to 10 hours ahead. In our study, we aim to investigate the regime changes in the time series of nominations to predict the 6 to 10 hours ahead of gas nominations. T3 - ZIB-Report - 21-22 KW - Time series Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82988 SN - 1438-0064 ER - TY - GEN A1 - Koch, Thorsten A1 - Berthold, Timo A1 - Pedersen, Jaap A1 - Vanaret, Charlie T1 - Progress in Mathematical Programming Solvers from 2001 to 2020 N2 - This study investigates the progress made in LP and MILP solver performance during the last two decades by comparing the solver software from the beginning of the millennium with the codes available today. On average, we found out that for solving LP/MILP, computer hardware got about 20 times faster, and the algorithms improved by a factor of about nine for LP and around 50 for MILP, which gives a total speed-up of about 180 and 1,000 times, respectively. However, these numbers have a very high variance and they considerably underestimate the progress made on the algorithmic side: many problem instances can nowadays be solved within seconds, which the old codes are not able to solve within any reasonable time. T3 - ZIB-Report - 21-20 Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82779 SN - 1438-0064 ER - TY - GEN A1 - Pedersen, Jaap A1 - Hoppmann-Baum, Kai A1 - Zittel, Janina A1 - Koch, Thorsten T1 - Blending hydrogen into natural gas: An assessment of the capacity of the German gas grid; Technical Report N2 - In the transition towards a pure hydrogen infrastructure, utilizing the existing natural gas infrastructure is a necessity. In this study, the maximal technically feasible injection of hydrogen into the existing German natural gas transmission network is analysed with respect to regulatory limits regarding the gas quality. We propose a transient tracking model based on the general pooling problem including linepack. The analysis is conducted using real-world hourly gas flow data on a network of about 10,000 km length. T3 - ZIB-Report - 21-21 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82838 SN - 1438-0064 ER - TY - GEN A1 - Tateiwa, Nariaki A1 - Shinano, Yuji A1 - Yamamura, Keiichiro A1 - Yoshida, Akihiro A1 - Kaji, Shizuo A1 - Yasuda, Masaya A1 - Fujisawa, Katsuki T1 - CMAP-LAP: Configurable Massively Parallel Solver for Lattice Problems N2 - Lattice problems are a class of optimization problems that are notably hard. There are no classical or quantum algorithms known to solve these problems efficiently. Their hardness has made lattices a major cryptographic primitive for post-quantum cryptography. Several different approaches have been used for lattice problems with different computational profiles; some suffer from super-exponential time, and others require exponential space. This motivated us to develop a novel lattice problem solver, CMAP-LAP, based on the clever coordination of different algorithms that run massively in parallel. With our flexible framework, heterogeneous modules run asynchronously in parallel on a large-scale distributed system while exchanging information, which drastically boosts the overall performance. We also implement full checkpoint-and-restart functionality, which is vital to high-dimensional lattice problems. Through numerical experiments with up to 103,680 cores, we evaluated the performance and stability of our system and demonstrated its high capability for future massive-scale experiments. T3 - ZIB-Report - 21-16 KW - Discrete optimization KW - Lattice problem KW - Lattice-based cryptography KW - Shortest vector problem KW - Parallel algorithms KW - Ubiquity Generator Framework Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82802 SN - 1438-0064 N1 - Revised version is accepted to HiPC 2021 ER - TY - GEN A1 - Ray, Sourav A1 - Thies, Arne A1 - Sunkara, Vikram A1 - Wulkow, Hanna A1 - Celik, Özgür A1 - Yergöz, Fatih A1 - Schütte, Christof A1 - Stein, Christoph A1 - Weber, Marcus A1 - Winkelmann, Stefanie T1 - Modelling altered signalling of G-protein coupled receptors in inflamed environment to advance drug design N2 - Initiated by mathematical modelling of extracellular interactions between G-protein coupled receptors (GPCRs) and ligands in normal versus diseased (inflamed) environments, we previously reported the successful design, synthesis and testing of the prototype opioid painkiller NFEPP that does not elicit adverse side effects. Uniquely, this design recognised that GPCRs function differently under pathological versus healthy conditions. We now present a novel stochastic model of GPCR function that includes intracellular dissociation of G-protein subunits and modulation of plasma membrane calcium channels associated with parameters of inflamed tissue (pH, radicals). By means of molecular dynamics simulations, we also assessed qualitative changes of the reaction rates due to additional disulfide bridges inside the GPCR binding pocket and used these rates for stochastic simulations of the corresponding reaction jump process. The modelling results were validated with in vitro experiments measuring calcium currents and G-protein activation. We found markedly reduced G-protein dissociation and calcium channel inhibition induced by NFEPP at normal pH, and enhanced constitutive G-protein activation but lower probability of ligand binding with increasing radical concentrations. These results suggest that, compared to radicals, low pH is a more important determinant of overall GPCR function in an inflamed environment. Future drug design efforts should take this into account. T3 - ZIB-Report - 21-19 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82797 SN - 1438-0064 ER - TY - GEN A1 - Lindner, Niels A1 - Liebchen, Christian A1 - Masing, Berenike T1 - Forward Cycle Bases and Periodic Timetabling N2 - Periodic timetable optimization problems in public transport can be modeled as mixed-integer linear programs by means of the Periodic Event Scheduling Problem (PESP). In order to keep the branch-and-bound tree small, minimum integral cycle bases have been proven successful. We examine forward cycle bases, where no cycle is allowed to contain a backward arc. After reviewing the theory of these bases, we describe the construction of an integral forward cycle basis on a line-based event-activity network. Adding turnarounds to the instance \texttt{R1L1} of the benchmark library PESPlib, we computationally evaluate three types of forward cycle bases in the Pareto sense, and come up with significant improvements concerning dual bounds. T3 - ZIB-Report - 21-18 KW - Periodic Timetabling KW - Cycle Bases KW - Mixed Integer Programming Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82756 SN - 1438-0064 ER - TY - GEN A1 - Lindner, Niels A1 - Maristany de las Casas, Pedro A1 - Schiewe, Philine T1 - Optimal Forks: Preprocessing Single-Source Shortest Path Instances with Interval Data N2 - We investigate preprocessing for single-source shortest path queries in digraphs, where arc costs are only known to lie in an interval. More precisely, we want to decide for each arc whether it is part of some shortest path tree for some realization of costs. We show that this problem is solvable in polynomial time by giving a combinatorial algorithm, using optimal structures that we call forks. Our algorithm turns out to be very efficient in practice, and is sometimes even superior in quality to a heuristic developed for the one-to-one shortest path problem in the context of passenger routing in public transport. T3 - ZIB-Report - 21-17 KW - Preprocessing Shortest Path Problems KW - Interval Data KW - Graph Algorithms Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82716 SN - 1438-0064 ER - TY - GEN A1 - Ernst, Ariane A1 - Schütte, Christof A1 - Sigrist, Stephan A1 - Winkelmann, Stefanie T1 - Variance of filtered signals: Characterization for linear reaction networks and application to neurotransmission dynamics N2 - Neurotransmission at chemical synapses relies on the calcium-induced fusion of synaptic vesicles with the presynaptic membrane. The distance to the calcium channels determines the release probability and thereby the postsynaptic signal. Suitable models of the process need to capture both the mean and the variance observed in electrophysiological measurements of the postsynaptic current. In this work, we propose a method to directly compute the exact first- and second-order moments for signals generated by a linear reaction network under convolution with an impulse response function, rendering computationally expensive numerical simulations of the underlying stochastic counting process obsolete. We show that the autocorrelation of the process is central for the calculation of the filtered signal’s second-order moments, and derive a system of PDEs for the cross-correlation functions (including the autocorrelations) of linear reaction networks with time-dependent rates. Finally, we employ our method to efficiently compare different spatial coarse graining approaches for a specific model of synaptic vesicle fusion. Beyond the application to neurotransmission processes, the developed theory can be applied to any linear reaction system that produces a filtered stochastic signal. T3 - ZIB-Report - 21-15 KW - linear reaction networks KW - cross-correlation KW - neurotransmission Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82674 SN - 1438-0064 ER - TY - GEN A1 - Borndörfer, Ralf A1 - Schwartz, Stephan A1 - Surau, William T1 - Vertex Covering with Capacitated Trees N2 - The covering of a graph with (possibly disjoint) connected subgraphs is a fundamental problem in graph theory. In this paper, we study a version to cover a graph's vertices by connected subgraphs subject to lower and upper weight bounds, and propose a column generation approach to dynamically generate feasible and promising subgraphs. Our focus is on the solution of the pricing problem which turns out to be a variant of the NP-hard Maximum Weight Connected Subgraph Problem. We compare different formulations to handle connectivity, and find that a single-commodity flow formulation performs best. This is notable since the respective literature seems to have dismissed this formulation. We improve it to a new coarse-to-fine flow formulation that is theoretically and computationally superior, especially for large instances with many vertices of degree 2 like highway networks, where it provides a speed-up factor of 10 over the non-flow-based formulations. We also propose a preprocessing method that exploits a median property of weight constrained subgraphs, a primal heuristic, and a local search heuristic. In an extensive computational study we evaluate the presented connectivity formulations on different classes of instances, and demonstrate the effectiveness of the proposed enhancements. Their speed-ups essentially multiply to an overall factor of 20. Overall, our approach allows the reliabe solution of instances with several hundreds of nodes in a few minutes. These findings are further corroborated in a comparison to existing districting models on a set of test instances from the literature. T3 - ZIB-Report - 21-14 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82616 SN - 1438-0064 ER - TY - GEN A1 - Borndörfer, Ralf A1 - Denißen, Jonas A1 - Heller, Simon A1 - Klug, Torsten A1 - Küpper, Michael A1 - Lindner, Niels A1 - Reuther, Markus A1 - Schlechte, Thomas A1 - Söhlke, Andreas A1 - Steadman, William T1 - Microscopic Timetable Optimization for a Moving Block System N2 - We present an optimization model which is capable of routing and ordering trains on a microscopic level under a moving block regime. Based on a general timetabling definition (GTTP) that allows the plug in of arbitrarily detailed methods to compute running and headway times, we describe a layered graph approach using velocity expansion, and develop a mixed integer linear programming formulation. Finally, we present promising results for a German corridor scenario with mixed traffic, indicating that applying branch-and-cut to our model is able to solve reasonably sized instances with up to hundred trains to optimality. T3 - ZIB-Report - 21-13 KW - Moving Block KW - Railway Track Allocation KW - Railway Timetabling KW - Train Routing Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82547 SN - 1438-0064 ER - TY - GEN A1 - Schmitt, Carlo A1 - Wyrwoll, Lothar A1 - Moser, Albert A1 - Yueksel-Erguen, Inci T1 - Integration of Flexible Distributed Energy Resource Models into a Market Coupling-based Lagrangian Relaxation of the pan-European Electricity Market N2 - This report presents a method to integrate highly flexible technology models for distributed energy resources such as electric vehicles, power-to-heat systems, or home battery systems into a Lagrangian relaxation of the pan-European day-ahead electricity market (EULR). These flexible technology models are highly sensitive to the changes of Lagrangian multipliers within the iterative Lagrangian relaxation process, leading to volatile behavior. Furthermore, they show a high concurrency in their market behavior due to their technical homogeneity. Therefore, the method proposed in this report is an extension of the existing EULR modeling approach to improve the model's convergence. The methodological extension comprises a convex combination of iteration solutions for the Lagrangian relaxation subproblems similar to Dantzig-Wolfe decomposition. An exemplary case study shows the effectiveness of this extended approach. T3 - ZIB-Report - 21-11 KW - Electricity Market Simulation KW - Lagrangian Relaxation KW - Distributed Energy Resources Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82238 SN - 1438-0064 ER - TY - GEN A1 - Lenz, Ralf T1 - Pipe Merging for Transient Gas Network Problems N2 - In practice, transient gas transport problems frequently have to be solved for large-scale gas networks. Gas network optimization problems typically belong to the class of Mixed-Integer Nonlinear Programming Problems (MINLP). However current state-of-the-art MINLP solvers are not yet mature enough to solve large-scale real-world instances. Therefore, an established approach in practice is to solve the problems with respect to a coarser representation of the network and thereby reducing the size of the underlying model. Two well-known aggregation methods that effectively reduce the network size are parallel and serial pipe merges. However, these methods have only been studied in stationary gas transport problems so far. This paper closes this gap and presents parallel and serial pipe merging methods in the context of transient gas transport. To this end, we introduce the concept of equivalent and heuristic subnetwork replacements. For the heuristic methods, we conduct a huge empirical evaluation based on real-world data taken from one of the largest gas networks in Europe. It turns out that both, parallel and serial pipe merging can be considered as appropriate aggregation methods for real-world transient gas flow problems. T3 - ZIB-Report - 21-10 KW - Pipe merging KW - Network aggregation KW - Gas network optimization KW - Transient gas flow transport KW - Nonlinear Programming Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-82116 SN - 1438-0064 ER - TY - GEN A1 - Maristany de las Casas, Pedro A1 - Borndörfer, Ralf A1 - Kraus, Luitgard A1 - Sedeño-Noda, Antonio T1 - An FPTAS for Dynamic Multiobjective Shortest Path Problems N2 - We propose in this paper the Dynamic Multiobjective Shortest Problem. It features multidimensional states that can depend on several variables and not only on time; this setting is motivated by flight planning and electric vehicle routing applications. We give an exact algorithm for the FIFO case and derive from it an FPTAS, which is computationally efficient. It also features the best known complexity in the static case. T3 - ZIB-Report - 20-31 KW - Multiobjective Shortest Paths KW - Time Dependent Shortest Paths KW - Multiobjective Approximation Algorithms KW - Flight Planning Problem Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-80954 ER - TY - GEN A1 - Ambellan, Felix A1 - Zachow, Stefan A1 - von Tycowicz, Christoph T1 - Geodesic B-Score for Improved Assessment of Knee Osteoarthritis N2 - Three-dimensional medical imaging enables detailed understanding of osteoarthritis structural status. However, there remains a vast need for automatic, thus, reader-independent measures that provide reliable assessment of subject-specific clinical outcomes. To this end, we derive a consistent generalization of the recently proposed B-score to Riemannian shape spaces. We further present an algorithmic treatment yielding simple, yet efficient computations allowing for analysis of large shape populations with several thousand samples. Our intrinsic formulation exhibits improved discrimination ability over its Euclidean counterpart, which we demonstrate for predictive validity on assessing risks of total knee replacement. This result highlights the potential of the geodesic B-score to enable improved personalized assessment and stratification for interventions. T3 - ZIB-Report - 21-09 KW - Statistical shape analysis KW - Osteoarthritis KW - Geometric statistics KW - Riemannian manifolds Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81930 SN - 1438-0064 ER - TY - GEN A1 - Hennings, Felix T1 - Large-scale empirical study on the momentum equation's inertia term N2 - A common approach to reduce the Euler equations' complexity for the simulation and optimization of gas networks is to neglect small terms that contribute little to the overall equations. An example is the inertia term of the momentum equation since it is said to be of negligible size under real-world operating conditions. However, this justification has always only been based on experience or single sets of artificial data points. This study closes this gap by presenting a large-scale empirical evaluation of the absolute and relative size of the inertia term when operating a real-world gas network. Our data consists of three years of fine-granular state data of one of the largest gas networks in Europe, featuring over 6,000 pipes with a total length of over 10,000 km. We found that there are only 120 events in which a subnetwork consisting of multiple pipes has an inertia term of high significance for more than three minutes. On average, such an event occurs less often than once every ten days. Therefore, we conclude that the inertia term is indeed negligible for real-world transient gas network control problems. T3 - ZIB-Report - 21-08 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81881 SN - 1438-0064 ER - TY - GEN A1 - Bestuzheva, Ksenia A1 - Gleixner, Ambros A1 - Vigerske, Stefan T1 - A Computational Study of Perspective Cuts N2 - The benefits of cutting planes based on the perspective function are well known for many specific classes of mixed-integer nonlinear programs with on/off structures. However, we are not aware of any empirical studies that evaluate their applicability and computational impact over large, heterogeneous test sets in general-purpose solvers. This paper provides a detailed computational study of perspective cuts within a linear programming based branch-and-cut solver for general mixed-integer nonlinear programs. Within this study, we extend the applicability of perspective cuts from convex to nonconvex nonlinearities. This generalization is achieved by applying a perspective strengthening to valid linear inequalities which separate solutions of linear relaxations. The resulting method can be applied to any constraint where all variables appearing in nonlinear terms are semi-continuous and depend on at least one common indicator variable. Our computational experiments show that adding perspective cuts for convex constraints yields a consistent improvement of performance, and adding perspective cuts for nonconvex constraints reduces branch-and-bound tree sizes and strengthens the root node relaxation, but has no significant impact on the overall mean time. T3 - ZIB-Report - 21-07 KW - perspective cuts, mixed-integer nonlinear programming, nonconvex optimization, computational study Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81821 SN - 1438-0064 ER - TY - GEN A1 - Lindner, Niels A1 - Liebchen, Christian T1 - Timetable Merging for the Periodic Event Scheduling Problem N2 - We propose a new mixed integer programming based heuristic for computing new benchmark primal solutions for instances of the PESPlib. The PESPlib is a collection of instances for the Periodic Event Scheduling Problem (PESP), comprising periodic timetabling problems inspired by real-world railway timetabling settings, and attracting several international research teams during the last years. We describe two strategies to merge a set of good periodic timetables. These make use of the instance structure and minimum weight cycle bases, finally leading to restricted mixed integer programming formulations with tighter variable bounds. Implementing this timetable merging approach in a concurrent solver, we improve the objective values of the best known solutions for the smallest and largest PESPlib instances by 1.7 and 4.3 percent, respectively. T3 - ZIB-Report - 21-06 KW - Periodic Event Scheduling Problem KW - Periodic Timetabling KW - Railway Timetabling KW - PESPlib KW - Benchmark Solutions KW - Mixed Integer Programming Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81587 SN - 1438-0064 ER - TY - GEN A1 - Bertelmann, Roland A1 - Boltze, Julia A1 - Ceynowa, Klaus A1 - Christof, Jürgen A1 - Faensen, Katja A1 - Groß, Matthias A1 - Hoffmann, Cornelia A1 - Koch, Thorsten A1 - Kuberek, Monika A1 - Lohrum, Stefan A1 - Pampel, Heinz A1 - Putnings, Markus A1 - Retter, Regina A1 - Rusch, Beate A1 - Schäffler, Hildegard A1 - Söllner, Konstanze A1 - Steffen, Ronald A1 - Wannick, Eike T1 - DeepGreen: Open-Access-Transformation in der Informationsinfrastruktur – Anforderungen und Empfehlungen, Version 1.0 N2 - DeepGreen ist ein Service, der es teilnehmenden institutionellen Open-Access-Repositorien,Open-Access-Fachrepositorien und Forschungsinformationssystemen erleichtert, für sie relevante Verlagspublikationen in zyklischer Abfolge mithilfe von Schnittstellen Open Access zur Verfügung zu stellen. Die entsprechende Bandbreite an Relationen zwischen den Akteuren, diverse lizenzrechtliche Rahmenbedingungen sowie technische Anforderungen gestalten das Thema komplex. Ziel dieser Handreichung ist es, neben all diesen Themen, die begleitend beleuchtet werden, im Besonderen Empfehlungen für die reibungslose Nutzung der Datenübertragung zu liefern. Außerdem werden mithilfe einer vorangestellten Workflow- Evaluierung Unterschiede und Besonderheiten in den Arbeitsschritten bei institutionellen Open-Access-Repositorien und Open-Access-Fachrepositorien aufgezeigt und ebenfalls mit Empfehlungen angereichert. T3 - ZIB-Report - 21-03 KW - Open Access KW - Zweitveröffentlichung KW - Bibliotheken KW - Verlage Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81503 SN - 1438-0064 ER - TY - GEN A1 - Lenz, Ralf A1 - Serrano, Felipe T1 - Tight Convex Relaxations for the Expansion Planning Problem N2 - Secure energy transport is considered as highly relevant for the basic infrastructure of nowadays society and economy. To satisfy increasing demands and to handle more diverse transport situations, operators of energy networks regularly expand the capacity of their network by building new network elements, known as the expansion planning problem. A key constraint function in expansion planning problems is a nonlinear and nonconvex potential loss function. In order to improve the algorithmic performance of state-of-the-art MINLP solvers, this paper presents an algebraic description for the convex envelope of this function. Through a thorough computational study, we show that this tighter relaxation tremendously improve the performance of the MINLP solver SCIP on a large test set of practically relevant instances for the expansion planning problem. In particular, the results show that our achievements lead to an improvement of the solver performance for a development version by up to 58%. T3 - ZIB-Report - 21-05 KW - Convex envelopes KW - Mixed-Integer Nonlinear Programming KW - Expansion planning of energy networks Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81459 SN - 1438-0064 ER - TY - GEN A1 - Borndörfer, Ralf A1 - Danecker, Fabian A1 - Weiser, Martin T1 - A Discrete-Continuous Algorithm for Free Flight Planning N2 - We propose a hybrid discrete-continuous algorithm for flight planning in free flight airspaces. In a first step, our DisCOptER method discrete-continuous optimization for enhanced resolution) computes a globally optimal approximate flight path on a discretization of the problem using the A* method. This route initializes a Newton method that converges rapidly to the smooth optimum in a second step. The correctness, accuracy, and complexity of the method are goverened by the choice of the crossover point that determines the coarseness of the discretization. We analyze the optimal choice of the crossover point and demonstrate the asymtotic superority of DisCOptER over a purely discrete approach. T3 - ZIB-Report - 20-33 KW - shortest path KW - flight planning KW - free flight KW - discrete-continuous algorithm KW - optimal control KW - discrete optimization Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81343 SN - 1438-0064 ER - TY - GEN A1 - Fujii, Koichi A1 - Ito, Naoki A1 - Kim, Sunyoung A1 - Kojima, Masakazu A1 - Shinano, Yuji A1 - Toh, Kim-Chuan T1 - Solving Challenging Large Scale QAPs N2 - We report our progress on the project for solving larger scale quadratic assignment problems (QAPs). Our main approach to solve large scale NP-hard combinatorial optimization problems such as QAPs is a parallel branch-and-bound method efficiently implemented on a powerful computer system using the Ubiquity Generator(UG) framework that can utilize more than 100,000 cores. Lower bounding procedures incorporated in the branch-and-bound method play a crucial role in solving the problems. For a strong lower bounding procedure, we employ the Lagrangian doubly nonnegative (DNN) relaxation and the Newton-bracketing method developed by the authors’ group. In this report, we describe some basic tools used in the project including the lower bounding procedure and branching rules, and present some preliminary numerical results. Our next target problem is QAPs with dimension at least 50, as we have succeeded to solve tai30a and sko42 from QAPLIB for the first time. T3 - ZIB-Report - 21-02 KW - QAP KW - Parallel Branch-and-Bound Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81303 SN - 1438-0064 ER - TY - GEN A1 - Eifler, Leon A1 - Gleixner, Ambros T1 - A Computational Status Update for Exact Rational Mixed Integer Programming N2 - The last milestone achievement for the roundoff-error-free solution of general mixed integer programs over the rational numbers was a hybrid-precision branch-and-bound algorithm published by Cook, Koch, Steffy, and Wolter in 2013. We describe a substantial revision and extension of this framework that integrates symbolic presolving, features an exact repair step for solutions from primal heuristics, employs a faster rational LP solver based on LP iterative refinement, and is able to produce independently verifiable certificates of optimality. We study the significantly improved performance and give insights into the computational behavior of the new algorithmic components. On the MIPLIB 2017 benchmark set, we observe an average speedup of 6.6x over the original framework and 2.8 times as many instances solved within a time limit of two hours. T3 - ZIB-Report - 21-04 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81298 SN - 1438-0064 ER - TY - GEN A1 - Petkovic, Milena A1 - Koch, Thorsten A1 - Zittel, Janina T1 - Deep learning for spatio-temporal supply and demand forecasting in natural gas transmission networks N2 - Germany is the largest market for natural gas in the European Union, with an annual consumption of approx. 95 billion cubic meters. Germany's high-pressure gas pipeline network is roughly 40,000 km long, which enables highly fluctuating quantities of gas to be transported safely over long distances. Considering that similar amounts of gas are also transshipped through Germany to other EU states, it is clear that Germany's gas transport system is essential to the European energy supply. Since the average velocity of gas in a pipeline is only 25km/h, an adequate high-precision, high-frequency forecasting of supply and demand is crucial for efficient control and operation of such a transmission network. We propose a deep learning model based on spatio-temporal convolutional neural networks (DLST) to tackle the problem of gas flow forecasting in a complex high-pressure transmission network. Experiments show that our model effectively captures comprehensive spatio-temporal correlations through modeling gas networks and consistently outperforms state-of-the-art benchmarks on real-world data sets by at least 21$\%$. The results demonstrate that the proposed model can deal with complex nonlinear gas network flow forecasting with high accuracy and effectiveness. T3 - ZIB-Report - 21-01 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81221 SN - 1438-0064 ER - TY - GEN A1 - Anderson, Lovis A1 - Turner, Mark A1 - Koch, Thorsten T1 - Generative deep learning for decision making in gas networks N2 - A decision support system relies on frequent re-solving of similar problem instances. While the general structure remains the same in corresponding applications, the input parameters are updated on a regular basis. We propose a generative neural network design for learning integer decision variables of mixed-integer linear programming (MILP) formulations of these problems. We utilise a deep neural network discriminator and a MILP solver as our oracle to train our generative neural network. In this article, we present the results of our design applied to the transient gas optimisation problem. With the trained network we produce a feasible solution in 2.5s, use it as a warm-start solution, and thereby decrease global optimal solution solve time by 60.5%. T3 - ZIB-Report - 20-38 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81103 SN - 1438-0064 ER - TY - GEN A1 - Prause, Felix A1 - Hoppmann-Baum, Kai A1 - Defourny, Boris A1 - Koch, Thorsten T1 - The Maximum Diversity Assortment Selection Problem N2 - In this paper, we introduce the Maximum Diversity Assortment Selection Problem (MADASS), which is a generalization of the 2-dimensional Cutting Stock Problem (2CSP). Given a set of rectangles and a rectangular container, the goal of 2CSP is to determine a subset of rectangles that can be placed in the container without overlapping, i.e., a feasible assortment, such that a maximum area is covered. In MADASS, we need to determine a set of feasible assortments, each of them covering a certain minimum threshold of the container, such that the diversity among them is maximized. Thereby, diversity is defined as minimum or average normalized Hamming-Distance of all assortment pairs. The MADASS Problem was used in the 11th AIMMS-MOPTA Competition in 2019. The methods we describe in this article and the computational results won the contest. In the following, we give a definition of the problem, introduce a mathematical model and solution approaches, determine upper bounds on the diversity, and conclude with computational experiments conducted on test instances derived from the 2CSP literature. T3 - ZIB-Report - 20-34 KW - Combinatorial Optimization KW - Mixed Integer Programming KW - 2-dim Cutting Stock Problem KW - Maximum Diversity Problem Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-81039 SN - 1438-0064 ER - TY - JOUR A1 - Schienle, Adam A1 - Maristany de las Casas, Pedro A1 - Blanco, Marco T1 - A Priori Search Space Pruning in the Flight Planning Problem N2 - We study the Flight Planning Problem for a single aircraft, where we look for a minimum cost path in the airway network, a directed graph. Arc evaluation, such as weather computation, is computationally expensive due to non-linear functions, but required for exactness. We propose several pruning methods to thin out the search space for Dijkstra's algorithm before the query commences. We do so by using innate problem characteristics such as an aircraft's tank capacity, lower and upper bounds on the total costs, and in particular, we present a method to reduce the search space even in the presence of regional crossing costs. We test all pruning methods on real-world instances, and show that incorporating crossing costs into the pruning process can reduce the number of nodes by 90\% in our setting. T3 - ZIB-Report - 20-32 Y1 - 2019 U6 - https://doi.org/https://doi.org/10.4230/OASIcs.ATMOS.2019.8 SN - 1438-0064 ER - TY - GEN A1 - Hoppmann-Baum, Kai A1 - Mexi, Gioni A1 - Burdakov, Oleg A1 - Casselgren, Carl Johan A1 - Koch, Thorsten T1 - Length-Constrained Cycle Partition with an Application to UAV Routing N2 - In this article, we discuss the Length-Constrained Cycle Partition Problem (LCCP). Besides edge weights, the undirected graph in LCCP features an individual critical weight value for each vertex. A cycle partition, i.e., a vertex disjoint cycle cover, is a feasible solution if the length of each cycle is not greater than the critical weight of each of the vertices in the cycle. The goal is to find a feasible partition with the minimum number of cycles. In this article, we discuss theoretical properties, preprocessing techniques, and two mixed-integer programming models (MIP) for LCCP both inspired by formulations for the closely related Travelling Salesperson Problem (TSP). Further, we introduce conflict hypergraphs, whose cliques yield valid constraints for the MIP models. We conclude with a report on computational experiments conducted on (A)TSPLIB-based instances. As an example, we use a routing problem in which a fleet of uncrewed aerial vehicles (UAVs) patrols a set of areas. T3 - ZIB-Report - 20-30 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-80489 SN - 1438-0064 ER - TY - GEN A1 - Rehfeldt, Daniel A1 - Koch, Thorsten T1 - Implications, conflicts, and reductions for Steiner trees T3 - ZIB-Report - 20-28 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-80039 SN - 1438-0064 ER - 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 - Maristany de las Casas, Pedro A1 - Sedeno-Noda, Antonio A1 - Borndörfer, Ralf T1 - An Improved Multiobjective Shortest Path Algorithm N2 - We present a new label-setting algorithm for the Multiobjective Shortest Path (MOSP) problem that computes the minimal complete set of efficient paths for a given instance. The size of the priority queue used in the algorithm is bounded by the number of nodes in the input graph and extracted labels are guaranteed to be efficient. These properties allow us to give a tight output-sensitive running time bound for the new algorithm that can almost be expressed in terms of the running time of Dijkstra's algorithm for the Shortest Path problem. Hence, we suggest to call the algorithm \emph{Multiobjective Dijkstra Algorithm} (MDA). The simplified label management in the MDA allows us to parallelize some subroutines. In our computational experiments, we compare the MDA and the classical label-setting MOSP algorithm by Martins', which we improved using new data structures and pruning techniques. On average, the MDA is $\times2$ to $\times9$ times faster on all used graph types. On some instances the speedup reaches an order of magnitude. T3 - ZIB-Report - 20-26 KW - Multiobjective Shortest Path Problem KW - Output-Sensitive Multiobjective Combinatorial Problems KW - Network Optimization Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-79712 SN - 1438-0064 ER - TY - GEN A1 - Sunkara, Vikram A1 - Raharinirina, N. Alexia A1 - Peppert, Felix A1 - von Kleist, Max A1 - Schütte, Christof T1 - Inferring Gene Regulatory Networks from Single Cell RNA-seq Temporal Snapshot Data Requires Higher Order Moments N2 - Due to the increase in accessibility and robustness of sequencing technology, single cell RNA-seq (scRNA-seq) data has become abundant. The technology has made significant contributions to discovering novel phenotypes and heterogeneities of cells. Recently, there has been a push for using single-- or multiple scRNA-seq snapshots to infer the underlying gene regulatory networks (GRNs) steering the cells' biological functions. To date, this aspiration remains unrealised. In this paper, we took a bottom-up approach and curated a stochastic two gene interaction model capturing the dynamics of a complete system of genes, mRNAs, and proteins. In the model, the regulation was placed upstream from the mRNA on the gene level. We then inferred the underlying regulatory interactions from only the observation of the mRNA population through~time. We could detect signatures of the regulation by combining information of the mean, covariance, and the skewness of the mRNA counts through time. We also saw that reordering the observations using pseudo-time did not conserve the covariance and skewness of the true time course. The underlying GRN could be captured consistently when we fitted the moments up to degree three; however, this required a computationally expensive non-linear least squares minimisation solver. There are still major numerical challenges to overcome for inference of GRNs from scRNA-seq data. These challenges entail finding informative summary statistics of the data which capture the critical regulatory information. Furthermore, the statistics have to evolve linearly or piece-wise linearly through time to achieve computational feasibility and scalability. T3 - ZIB-Report - 20-25 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-79664 SN - 1438-0064 ER - TY - GEN A1 - Schwartz, Stephan T1 - An Overview of Graph Covering and Partitioning N2 - While graph covering is a fundamental and well-studied problem, this field lacks a broad and unified literature review. The holistic overview of graph covering given in this article attempts to close this gap. The focus lies on a characterization and classification of the different problems discussed in the literature. In addition, notable results and common approaches are also included. Whenever appropriate, our review extends to the corresponding partioning problems. T3 - ZIB-Report - 20-24 KW - Graph Covering KW - Graph Partitioning Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-79431 SN - 1438-0064 ER - TY - GEN A1 - Rehfeldt, Daniel A1 - Franz, Henriette A1 - Koch, Thorsten T1 - Optimal Connected Subgraphs: Formulations and Algorithms T3 - ZIB-Report - 20-23 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-79094 SN - 1438-0064 ER - TY - GEN A1 - Oltmanns, Elias A1 - Hasler, Tim T1 - Outline of an archiving strategy for digital audiovisual material N2 - This is the documentation on current results of a research project jointly conducted by Stiftung Deutsche Kinemathek (SDK) and Zuse Institute Berlin (ZIB). In this project, we are working on a practical yet sustainable archiving solution for audiovisual material. In the course of the project two major obstacles were identified: 1) Metadata is collected according to standards established in the community but lacking a prescribed serialisation format. 2) Storage size of audiovisual material and time scales of production processes make it often impractical to defer submission for archival storage until all components have arrived and can be processed in one go. T3 - ZIB-Report - 20-22 KW - long term preservation, digital audiovisual material, METS, EBUCore, PID, handle Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78840 SN - 1438-0064 ER - TY - GEN A1 - Berthold, Timo A1 - Witzig, Jakob T1 - Conflict Analysis for MINLP N2 - The generalization of MIP techniques to deal with nonlinear, potentially non-convex, constraints have been a fruitful direction of research for computational MINLP in the last decade. In this paper, we follow that path in order to extend another essential subroutine of modern MIP solvers towards the case of nonlinear optimization: the analysis of infeasible subproblems for learning additional valid constraints. To this end, we derive two different strategies, geared towards two different solution approaches. These are using local dual proofs of infeasibility for LP-based branch-and-bound and the creation of nonlinear dual proofs for NLP-based branch-and-bound, respectively. We discuss implementation details of both approaches and present an extensive computational study, showing that both techniques can significantly enhance performance when solving MINLPs to global optimality. T3 - ZIB-Report - 20-20 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78964 SN - 1438-0064 ER - TY - GEN A1 - Lindner, Niels A1 - Liebchen, Christian T1 - Determining all integer vertices of the PESP polytope by flipping arcs N2 - We investigate polyhedral aspects of the Periodic Event Scheduling Problem (PESP), the mathematical basis for periodic timetabling problems in public transport. Flipping the orientation of arcs, we obtain a new class of valid inequalities, the flip inequalities, comprising both the known cycle and change-cycle inequalities. For a point of the LP relaxation, a violated flip inequality can be found in pseudo-polynomial time, and even in linear time for a spanning tree solution. Our main result is that the integer vertices of the polytope described by the flip inequalities are exactly the vertices of the PESP polytope, i.e., the convex hull of all feasible periodic slacks with corresponding modulo parameters. Moreover, we show that this flip polytope equals the PESP polytope in some special cases. On the computational side, we devise several heuristic approaches concerning the separation of cutting planes from flip inequalities. These produce better dual bounds for the smallest and largest instance of the benchmarking library PESPlib. T3 - ZIB-Report - 20-19 KW - Periodic Event Scheduling Problem KW - Periodic Timetabling KW - Mixed Integer Programming Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78793 SN - 1438-0064 ER - TY - GEN A1 - Bittracher, Andreas A1 - Schütte, Christof T1 - A probabilistic algorithm for aggregating vastly undersampled large Markov chains N2 - Model reduction of large Markov chains is an essential step in a wide array of techniques for understanding complex systems and for efficiently learning structures from high-dimensional data. We present a novel aggregation algorithm for compressing such chains that exploits a specific low-rank structure in the transition matrix which, e.g., is present in metastable systems, among others. It enables the recovery of the aggregates from a vastly undersampled transition matrix which in practical applications may gain a speedup of several orders of mag- nitude over methods that require the full transition matrix. Moreover, we show that the new technique is robust under perturbation of the transition matrix. The practical applicability of the new method is demonstrated by identifying a reduced model for the large-scale traffic flow patterns from real-world taxi trip data. T3 - ZIB-Report - 20-21 Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78688 UR - https://opus4.kobv.de/opus4-zib/frontdoor/index/index/docId/7587 SN - 1438-0064 ER - TY - GEN A1 - Clausecker, Robert T1 - The Quality of Heuristic Functions for IDA* N2 - The aim of this thesis is to deepen our understand of how IDA* heuristics influence the number of nodes expanded during search. To this end, we develop Korf's formula for the number of expanded nodes into a heuristic quality η which expresses the quality of a heuristic function as a constant factor on the number of expanded nodes, independent of a particular problem instance. We proceed to show how to compute η for some common kinds of heuristics and how to estimate η by means of a random sample for arbitrary heuristics. Using the value of η for some concrete examples, we then inspect for which parts of the search space the values of h(v) are particularly critical to the performance of the heuristic, allowing us to build better heuristics for future problems. This report originally appeared as a master thesis at Humboldt University of Berlin. T3 - ZIB-Report - 20-17 KW - IDA* heuristic search sampling random walks Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-78489 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 -