@article{BorndoerferEsserFrankenbergeretal.2021, author = {Bornd{\"o}rfer, Ralf and Eßer, Thomas and Frankenberger, Patrick and Huck, Andreas and Jobmann, Christoph and Krostitz, Boris and Kuchenbecker, Karsten and Moorhagen, Kai and Nagl, Philipp and Peterson, Michael and Reuther, Markus and Schang, Thilo and Schoch, Michael and Sch{\"u}lldorf, Hanno and Sch{\"u}tz, Peter and Therolf, Tobias and Waas, Kerstin and Weider, Steffen}, title = {Deutsche Bahn Schedules Train Rotations Using Hypergraph Optimization}, volume = {51}, journal = {Informs Journal on Applied Analytics}, number = {1}, doi = {10.1287/inte.2020.1069}, pages = {42 -- 62}, year = {2021}, abstract = {Deutsche Bahn (DB) operates a large fleet of rolling stock (locomotives, wagons, and train sets) that must be combined into trains to perform rolling stock rotations. This train composition is a special characteristic of railway operations that distinguishes rolling stock rotation planning from the vehicle scheduling problems prevalent in other industries. DB models train compositions using hyperarcs. The resulting hypergraph models are ad-dressed using a novel coarse-to-fine method that implements a hierarchical column genera-tion over three levels of detail. This algorithm is the mathematical core of DB's fleet em-ployment optimization (FEO) system for rolling stock rotation planning. FEO's impact within DB's planning departments has been revolutionary. DB has used it to support the company's procurements of its newest high-speed passenger train fleet and its intermodal cargo locomotive fleet for cross-border operations. FEO is the key to successful tendering in regional transport and to construction site management in daily operations. DB's plan-ning departments appreciate FEO's high-quality results, ability to reoptimize (quickly), and ease of use. Both employees and customers benefit from the increased regularity of operations. DB attributes annual savings of 74 million euro, an annual reduction of 34,000 tons of CO2 emissions, and the elimination of 600 coupling operations in cross-border operations to the implementation of FEO.}, language = {en} } @article{SahinAhmadiBorndoerferetal.2020, author = {Sahin, Guvenc and Ahmadi, Amin and Bornd{\"o}rfer, Ralf and Schlechte, Thomas}, title = {Multi-period line planning with resource transfers}, volume = {119}, journal = {Transportation Research Part C: Emerging Technologies}, doi = {10.1016/j.trc.2020.102726}, pages = {102726}, year = {2020}, abstract = {Urban transportation systems are subject to a high level of variation and fluctuation in demand over the day. When this variation and fluctuation are observed in both time and space, it is crucial to develop line plans that are responsive to demand. A multi-period line planning approach that considers a changing demand during the planning horizon is proposed. If such systems are also subject to limitations of resources, a dynamic transfer of resources from one line to another throughout the planning horizon should also be considered. A mathematical modelling framework is developed to solve the line planning problem with a cost-oriented approach considering transfer of resources during a finite length planning horizon of multiple periods. We use real-life public transportation network data for our computational results. We analyze whether or not multi-period solutions outperform single period solutions in terms of feasibility and relevant costs. The importance of demand variation on multi-period solutions is investigated. We evaluate the impact of resource transfer constraints on the effectiveness of solutions. We also study the effect of period lengths along with the problem parameters that are significant for and sensitive to the optimality of solutions.}, language = {en} } @inproceedings{LoebelBorndoerferWeider2023, author = {L{\"o}bel, Fabian and Bornd{\"o}rfer, Ralf and Weider, Steffen}, title = {Non-Linear Charge Functions for Electric Vehicle Scheduling with Dynamic Recharge Rates}, volume = {115}, booktitle = {23rd Symposium on Algorithmic Approaches for Transportation Modelling, Optimization, and Systems (ATMOS 2023)}, doi = {10.4230/OASIcs.ATMOS.2023.15}, url = {http://nbn-resolving.de/urn:nbn:de:0030-drops-187765}, pages = {15:1 -- 15:6}, year = {2023}, abstract = {The ongoing electrification of logistics systems and vehicle fleets increases the complexity of associated vehicle routing or scheduling problems. Battery-powered vehicles have to be scheduled to recharge in-service, and the relationship between charging time and replenished driving range is non-linear. In order to access the powerful toolkit offered by mixed-integer and linear programming techniques, this battery behavior has to be linearized. Moreover, as electric fleets grow, power draw peaks have to be avoided to save on electricity costs or to adhere to hard grid capacity limits, such that it becomes desirable to keep recharge rates dynamic. We suggest a novel linearization approach of battery charging behavior for vehicle scheduling problems, in which the recharge rates are optimization variables and not model parameters.}, language = {en} } @misc{Loebel2020, type = {Master Thesis}, author = {L{\"o}bel, Fabian}, title = {Implementing the Network Simplex for Hypergraphs}, year = {2020}, abstract = {The well-known network simplex algorithm is a powerful tool to solve flow problems on graphs. Based on a recent dissertation by Isabel Beckenbach, we develop the necessary theory to extend the network simplex to capacitated flow problems on hypergraphs and implement this new variant. We then attempt to solve instances arising from real-life vehicle rotation planning problems.}, language = {en} } @article{EulerLindnerBorndoerfer2024, author = {Euler, Ricardo and Lindner, Niels and Bornd{\"o}rfer, Ralf}, title = {Price optimal routing in public transportation}, volume = {13}, journal = {EURO Journal on Transportation and Logistics}, publisher = {Elsevier BV}, issn = {2192-4376}, doi = {10.1016/j.ejtl.2024.100128}, pages = {1 -- 15}, year = {2024}, language = {en} } @inproceedings{KlugReutherSchlechte2022, author = {Klug, Torsten and Reuther, Markus and Schlechte, Thomas}, title = {Does Laziness Pay Off? - A Lazy-Constraint Approach to Timetabling}, volume = {106}, booktitle = {22nd Symposium on Algorithmic Approaches for Transportation Modelling, Optimization, and Systems (ATMOS 2022)}, publisher = {Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik}, doi = {10.4230/OASIcs.ATMOS.2022.11}, pages = {11:1 -- 11:8}, year = {2022}, abstract = {Timetabling is a classical and complex task for public transport operators as well as for railway undertakings. The general question is: Which vehicle is taking which route through the transportation network in which order? In this paper, we consider the special setting to find optimal timetables for railway systems under a moving block regime. We directly set up on our work of [8 ], i.e., we consider the same model formulation and real-world instances of a moving block headway system. In this paper, we present a repair heuristic and a lazy-constraint approach utilizing the callback features of Gurobi, see [3]. We provide an experimental study of the different algorithmic approaches for a railway network with 100 and up to 300 train requests. The computational results show that the lazy-constraint approach together with the repair heuristic significantly improves our previous approaches.}, language = {en} } @article{MaristanydelasCasasSedenoNodaBorndoerfer2021, author = {Maristany de las Casas, Pedro and Sedeno-Noda, Antonio and Bornd{\"o}rfer, Ralf}, title = {An Improved Multiobjective Shortest Path Algorithm}, volume = {135}, journal = {Computers \& Operations Research}, doi = {10.1016/j.cor.2021.105424}, year = {2021}, abstract = {We present a new label-setting algorithm for the Multiobjective Shortest Path (MOSP) problem that computes a minimum 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 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 2 to 9 times faster on all used graph types. On some instances the speedup reaches an order of magnitude.}, language = {en} } @article{SagnolSchmidtgenanntWaldschmidt2021, author = {Sagnol, Guillaume and Schmidt genannt Waldschmidt, Daniel}, title = {Restricted Adaptivity in Stochastic Scheduling}, volume = {204}, journal = {29th Annual European Symposium on Algorithms (ESA 2021)}, doi = {10.4230/LIPIcs.ESA.2021.79}, pages = {79:1 -- 79:14}, year = {2021}, abstract = {We consider the stochastic scheduling problem of minimizing the expected makespan on m parallel identical machines. While the (adaptive) list scheduling policy achieves an approximation ratio of 2, any (non-adaptive) fixed assignment policy has performance guarantee Ω(logm/loglogm). Although the performance of the latter class of policies are worse, there are applications in which non-adaptive policies are desired. In this work, we introduce the two classes of δ-delay and τ-shift policies whose degree of adaptivity can be controlled by a parameter. We present a policy - belonging to both classes - which is an O(loglogm)-approximation for reasonably bounded parameters. In other words, an exponential improvement on the performance of any fixed assignment policy can be achieved when allowing a small degree of adaptivity. Moreover, we provide a matching lower bound for any δ-delay and τ-shift policy when both parameters, respectively, are in the order of the expected makespan of an optimal non-anticipatory policy.}, language = {en} } @article{PronzatoSagnol2021, author = {Pronzato, Luc and Sagnol, Guillaume}, title = {Removing inessential points in c- and A-optimal design}, volume = {213}, journal = {Journal of Statistical Planning and Inference}, doi = {10.1016/j.jspi.2020.11.011}, pages = {233 -- 252}, year = {2021}, abstract = {A design point is inessential when it does not contribute to an optimal design, and can therefore be safely discarded from the design space. We derive three inequalities for the detection of such inessential points in c-optimal design: the first two are direct consequences of the equivalence theorem for c-optimality; the third one is derived from a second-order cone programming formulation of c-optimal design. Elimination rules for A-optimal design are obtained as a byproduct. When implemented within an optimization algorithm, each inequality gives a screening test that may provide a substantial acceleration by reducing the size of the problem online. Several examples are presented with a multiplicative algorithm to illustrate the effectiveness of the approach.}, language = {en} } @misc{Loebel1997, author = {L{\"o}bel, Andreas}, title = {Solving Large-Scale Multiple-Depot Vehicle Scheduling Problems}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-2866}, number = {SC-97-17}, year = {1997}, abstract = {This paper presents an integer linear programming approach with delayed column generation for the {\em NP} Multiple-Depot Vehicle Scheduling Problem (MDVSP) in public mass transit. We describe in detail all basic ingredients of our approach that are indispensable to solve truly large-scale real-world instances to optimality, and we report on computational investigations that are based on real-world instances from the city of Berlin, the city of Hamburg, and the region around Hamburg. These real-world instances have up to 25 thousand timetabled trips and 70 million dead-head trips. Computational tests using the data of the Hamburger Hochbahn AG indicate savings of several vehicles and a cost reduction of about 10\\% compared with the solution provided by HOT II, the vehicle scheduling tool of the HanseCom GmbH, Hamburg. Parts of our algorithms are already integrated in the BERTA system of the Berliner Verkehrsbetriebe (BVG) and will soon be integrated in the MICROBUS system of the Gesellschaft f{\"u}r Informatik, Verkehrs- und Umweltplanung mbH (IVU), Berlin.}, language = {en} } @phdthesis{Schultz1995, author = {Schultz, R{\"u}diger}, title = {Structure and Stability in Two-Stage Stochastic Programming}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-1819}, number = {SC-95-15}, year = {1995}, abstract = {{\begin{footnotesize} This thesis is concerned with structural properties and the stability behaviour of two-stage stochastic programs. Chapter~1 gives an introduction into stochastic programming and a summary of the main results of the thesis. In Chapter~2 we present easily verifiable sufficient conditions for the strong convexity of the expected-recourse function in a stochastic program with linear complete recourse. Different levels of randomness in the data are considered. We start with models where only the right-hand side of the constraints is random and extend these results to the situation where also the technology matrix contains random entries. The statements on strong convexity imply new stability estimates for sets of optimal solutions when perturbing the underlying probability measure. We work out H{\"o}lder estimates (in terms of the \$\mbox{L}_1\$-Wasserstein distance) for optimal solution sets to linear recourse models with random technology matrix. In Chapter~3 ({\it joint work with Werner R{\"o}misch, Berlin}) we are aiming at the Lipschitz stability of optimal solution sets to linear recourse models with random right-hand side. To this end , we first adapt the distance notion for the underlying probability measures to the structure of the model and derive a Lipschitz estimate for optimal solutions based on that distance. Here, the strong convexity established in Chapter~2 turns out as an essential assumption. For applications, however, a Lipschitz estimate with respect to a more accesssible probability distance is desirable. Structural properties of the expected-recourse function finally permit such an estimate in terms of the Kolmogorov-Smirnov distance of linear transforms of the underlying measures. The general analysis is specified to estimation via empirical measures. We obtain a law of iterated logarithm, a large deviation estimate and an estimate for the asymptotic distribution of optimal solution sets. Chapters~4 and~5 deal with two-stage linear stochastic programs where integrality constraints occur in the second stage. In Chapter~4 we study basic continuity properties of the expected-recourse function for models with random right-hand side and random technology matrix. The joint continuity with respect to the decision variable and the underlying probability measure leads to qualitative statements on the stability of local optimal values and local optimal solutions. In Chapter~5 we demonstrate that a variational distance of probability measures based on a suitable Vapnik-\v{C}ervonenkis class of Borel sets leads to convergence rates of the H{\"o}lder type for the expected recourse as a function of the underlying probability measure. The rates carry over to the convergence of local optimal values. As an application we again consider estimation via empirical measures. Beside qualitative asymptotic results for optimal values and optimal solutions we obtain a law of iterated logarithm for optimal values. \end{footnotesize}}}, language = {en} } @misc{Koch1995, type = {Master Thesis}, author = {Koch, Thorsten}, title = {Jack-III Ein Branch \& Cut-Verfahren zur L{\"o}sung des gewichteten Steinerbaumproblems in Graphen}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-9946}, school = {Zuse Institute Berlin (ZIB)}, year = {1995}, abstract = {In der vorliegenden Arbeit werden die grundlegenden Gedanken und die Implementierung eines Branch \& Cut-Algorithmus zur L{\"o}sung des gewichteten Steinerbaumproblems in Graphen beschrieben. Der Algorithmus basiert auf der linearen Relaxierung einer bidirektionalen ganzzahligen Formulierung des Problems. Wir werden das Problem einf{\"u}hren, drei ganzzahlige Modellierungen vorstellen, auf Reduktionsverfahren und Heuristiken eingehen sowie das Verfahren und seine Implementierung darstellen. Am Ende werden wir die Implementierung an 191 bekannten Probleminstanzen testen und auch optimale L{\"o}sungen f� ur zwei nach Wissen des Autors bis zu diesem Zeitpunkt ungel{\"o}ste Instanzen liefern.}, language = {de} } @misc{BorndoerferFerreiraMartin1997, author = {Bornd{\"o}rfer, Ralf and Ferreira, Carlos E. and Martin, Alexander}, title = {Decomposing Matrices into Blocks}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-2849}, number = {SC-97-15}, year = {1997}, abstract = {In this paper we investigate whether matrices arising from linear or integer programming problems can be decomposed into so-called {\em bordered block diagonal form}. More precisely, given some matrix \$A\$, we try to assign as many rows as possible to some number of blocks of limited size such that no two rows assigned to different blocks intersect in a common column. Bordered block diagonal form is desirable because it can guide and speed up the solution process for linear and integer programming problems. We show that various matrices from the LP- and MIP-libraries NETLIB and MITLIB can indeed be decomposed into this form by computing optimal decompositions or decompositions with proven quality. These computations are done with a branch-and-cut algorithm based on polyhedral investigations of the matrix decomposition problem. In practice, however, one would use heuristics to find a good decomposition. We present several heuristic ideas and test their performance. Finally, we investigate the usefulness of optimal matrix decompositions into bordered block diagonal form for integer programming by using such decompositions to guide the branching process in a branch-and-cut code for general mixed integer programs.}, language = {en} } @misc{AscheuerJuengerReinelt1997, author = {Ascheuer, Norbert and J{\"u}nger, Michael and Reinelt, Gerhard}, title = {A Branch \& Cut Algorithm for the Asymmetric Traveling Salesman Problem with Precedence Constraints}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-3391}, number = {SC-97-70}, year = {1997}, abstract = {In this paper we consider a variant of the classical ATSP, namely the asymmetric Hamiltonian path problem (or equivalently ATSP) with precedence constraints. In this problem precedences among the nodes are present, stating that a certain node has to precede others in any feasible sequence. This problem occurs as a basic model in scheduling and routing and has a wide range of applications varying from helicopter routing[Timlin89], sequencing in flexible manufacturing [AscheuerEscuderoGroetschelStoer90,AscheuerEscuderoGroetschelStoer93], to stacker crane routing in an automatic storage system[Ascheuer95]. We give an integer programming model and summarize known classes of valid inequalities. We describe in detail the implementation of a branch\&-cut algorithm and give computational results on real world instances and benchmark problems from TSPLIB. The results we achieve indicate that our implementation outperforms other implementations found in the literature. Real world instances up to 174 nodes could be solved to optimality within a few minutes of CPU-time. As a side product we obtained a branch\&cut-algorithm for the ATSP. All instances in TSPLIB could be solved to optimality in a reasonable amount of computing time.}, language = {en} } @misc{BorndoerferGroetschelKlostermeieretal.1997, author = {Bornd{\"o}rfer, Ralf and Gr{\"o}tschel, Martin and Klostermeier, Fridolin and K{\"u}ttner, Christian}, title = {Telebus Berlin: Vehicle Scheduling in a Dial-a-Ride System}, doi = {10.1007/978-3-642-85970-0_19}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-2925}, number = {SC-97-23}, year = {1997}, abstract = {{\em Telebus\/} is Berlin's dial-a-ride system for handicapped people that cannot use the public transportation system. The service is provided by a fleet of about 100 mini-busses and includes aid to get in and out of the vehicle. Telebus has between 1,000 and 1,500 transportation requests per day. The problem arises to schedule these requests into the vehicles such that punctual service is provided while operation costs should be minimum. Additional constraints include pre-rented vehicles, fixed bus driver shift lengths, obligatory breaks, and different vehicle capacities. We use a {\em set partitioning\/} approach for the solution of the bus scheduling problem that consists of two steps. The first {\em clustering\/} step identifies segments of possible bus tours (``orders'') such that more than one person is transported at a time; the aim in this step is to reduce the size of the problem and to make use of larger vehicle capacities. The problem to select a set of orders such that the traveling distance of the vehicles within the orders is minimal is a set partitioning problem that we can solve to optimality. In the second step the selected orders are {\em chained\/} to yield possible bus tours respecting all side constraints. The problem to select a set of such bus tours such that each order is serviced once and the total traveling distance of the vehicles is minimum is again a set partitioning problem that we solve approximately. We have developed a computer system for the solution of the bus scheduling problem that includes a branch-and-cut algorithm for the solution of the set partitioning problems. A version of this system is in operation at Telebus since July 1995. Its use made it possible that Telebus can service today about 30\\% more requests per day for the same amount of money than before.}, language = {en} } @misc{BorndoerferWeismantel1997, author = {Bornd{\"o}rfer, Ralf and Weismantel, Robert}, title = {Set Packing Relaxations of Some Integer Programs}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-2998}, number = {SC-97-30}, year = {1997}, abstract = {This paper is about {\em set packing relaxations\/} of combinatorial optimization problems associated with acyclic digraphs and linear orderings, cuts and multicuts, and vertex packings themselves. Families of inequalities that are valid for such a relaxation as well as the associated separation routines carry over to the problems under investigation.}, language = {en} } @misc{BorndoerferWeismantel1997, author = {Bornd{\"o}rfer, Ralf and Weismantel, Robert}, title = {Discrete Relaxations of Combinatorial Programs}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-3230}, number = {SC-97-54}, year = {1997}, abstract = {This paper investigates {\em relations\/} among combinatorial optimization problems. To establish such relations we introduce a transformation technique \mbox{---{\em aggregation}---} that allows to relax an integer program by means of another integer program. We prove that various families of prominent inequalities for the acyclic subdigraph problem, the multiple knapsack problem, the max cut, graph, and the clique partitioning problem, the set covering problem, and the set packing problem can be derived and separated in polynomial time in this way. Our technique is algorithmic. It has been implemented and used in a set partitioning code.}, language = {en} } @misc{BorndoerferGroetschelKlostermeieretal.1997, author = {Bornd{\"o}rfer, Ralf and Gr{\"o}tschel, Martin and Klostermeier, Fridolin and K{\"u}ttner, Christian}, title = {Optimierung des Berliner Behindertenfahrdienstes}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-2799}, number = {SC-97-10}, year = {1997}, abstract = {In diesem Artikel geben wir einen {\"U}berblick {\"u}ber das Telebus-Projekt am Konrad-Zuse-Zentrum, Berlin, durch das der Behindertenfahrdienst in Berlin reorganisiert und optimiert wurde. Wir berichten kurz {\"u}ber die mathematischen Probleme und, etwas ausf{\"u}hrlicher, {\"u}ber die nicht-mathematischen Schwierigkeiten, die bei der Durchf{\"u}hrung dieses Projektes auftraten.}, language = {de} } @inproceedings{PrauseBorndoerfer2024, author = {Prause, Felix and Bornd{\"o}rfer, Ralf}, title = {A Bayesian Rolling Horizon Approach for Rolling Stock Rotation Planning with Predictive Maintenance}, volume = {123}, booktitle = {24th Symposium on Algorithmic Approaches for Transportation Modelling, Optimization, and Systems (ATMOS 2024)}, doi = {10.4230/OASIcs.ATMOS.2024.13}, pages = {13:1 -- 13:19}, year = {2024}, abstract = {We consider the rolling stock rotation planning problem with predictive maintenance (RSRP-PdM), where a timetable given by a set of trips must be operated by a fleet of vehicles. Here, the health states of the vehicles are assumed to be random variables, and their maintenance schedule should be planned based on their predicted failure probabilities. Utilizing the Bayesian update step of the Kalman filter, we develop a rolling horizon approach for RSRP-PdM, in which the predicted health state distributions are updated as new data become available. This approach reduces the uncertainty of the health states and thus improves the decision-making basis for maintenance planning. To solve the instances, we employ a local neighborhood search, which is a modification of a heuristic for RSRP-PdM, and demonstrate its effectiveness. Using this solution algorithm, the presented approach is compared with the results of common maintenance strategies on test instances derived from real-world timetables. The obtained results show the benefits of the rolling horizon approach.}, language = {en} } @article{BestuzhevaChmielaMuelleretal.2023, author = {Bestuzheva, Ksenia and Chmiela, Antonia and M{\"u}ller, Benjamin and Serrano, Felipe and Vigerske, Stefan and Wegscheider, Fabian}, title = {Global Optimization of Mixed-Integer Nonlinear Programs with SCIP 8.0}, journal = {Journal of Global Optimization}, doi = {10.1007/s10898-023-01345-1}, year = {2023}, abstract = {For over ten years, the constraint integer programming framework SCIP has been extended by capabilities for the solution of convex and nonconvex mixed-integer nonlinear programs (MINLPs). With the recently published version 8.0, these capabilities have been largely reworked and extended. This paper discusses the motivations for recent changes and provides an overview of features that are particular to MINLP solving in SCIP. Further, difficulties in benchmarking global MINLP solvers are discussed and a comparison with several state-of-the-art global MINLP solvers is provided.}, language = {en} } @inproceedings{ChmielaGleixnerLichockietal.2023, author = {Chmiela, Antonia and Gleixner, Ambros and Lichocki, Pawel and Pokutta, Sebastian}, title = {Online Learning for Scheduling MIP Heuristics}, volume = {13884}, booktitle = {Integration of Constraint Programming, Artificial Intelligence, and Operations Research}, publisher = {Springer, Cham}, doi = {10.1007/978-3-031-33271-5_8}, pages = {114 -- 123}, year = {2023}, abstract = {Mixed Integer Programming (MIP) is NP-hard, and yet modern solvers often solve large real-world problems within minutes. This success can partially be attributed to heuristics. Since their behavior is highly instance-dependent, relying on hard-coded rules derived from empirical testing on a large heterogeneous corpora of benchmark instances might lead to sub-optimal performance. In this work, we propose an online learning approach that adapts the application of heuristics towards the single instance at hand. We replace the commonly used static heuristic handling with an adaptive framework exploiting past observations about the heuristic's behavior to make future decisions. In particular, we model the problem of controlling Large Neighborhood Search and Diving - two broad and complex classes of heuristics - as a multi-armed bandit problem. Going beyond existing work in the literature, we control two different classes of heuristics simultaneously by a single learning agent. We verify our approach numerically and show consistent node reductions over the MIPLIB 2017 Benchmark set. For harder instances that take at least 1000 seconds to solve, we observe a speedup of 4\%.}, language = {en} } @inproceedings{ChmielaMunozSerrano2023, author = {Chmiela, Antonia and Mu{\~n}oz, Gonzalo and Serrano, Felipe}, title = {Monoidal strengthening and unique lifting in MIQCPs}, volume = {13904}, booktitle = {Integer Programming and Combinatorial Optimization. IPCO 2023.}, doi = {10.1007/978-3-031-32726-1_7}, pages = {87 -- 99}, year = {2023}, abstract = {Using the recently proposed maximal quadratic-free sets and the well-known monoidal strengthening procedure, we show how to improve inter- section cuts for quadratically-constrained optimization problems by exploiting integrality requirements. We provide an explicit construction that allows an efficient implementation of the strengthened cuts along with computational results showing their improvements over the standard intersection cuts. We also show that, in our setting, there is unique lifting which implies that our strengthening procedure is generating the best possible cut coefficients for the integer variables.}, language = {en} } @article{GorgullaGarzaKapiletal.2025, author = {Gorgulla, Christoph and Garza, Alejandro J. and Kapil, Venkat and Fackeldey, Konstantin}, title = {QUASAR: A Flexible QM-MM Method for Biomolecular Systems based on Restraining Spheres}, volume = {320}, journal = {Computer Physics Communications}, issn = {0010-4655}, doi = {10.1016/j.cpc.2025.109949}, year = {2025}, abstract = {Quantum mechanical models of molecules theoretically offer unprecedented accuracy in predicting values associated with these systems, including the free energy of interaction between two molecules. However, high-accuracy quantum mechanical methods are computationally too expensive to be applied to larger systems, including most biomolecular systems such as proteins. To circumvent this challenge, the hybrid quantum mechanics/molecular mechanics (QM/MM) method was developed, allowing one to treat only the most important part of the system on the quantum mechanical level and the remaining part on the classical level. To date, QM/MM simulations for biomolecular systems have been carried out almost exclusively on the electronic structure level, neglecting nuclear quantum effects (NQEs). Yet NQEs can play a major role in biomolecular systems [1]. Here, we present i-QI, a QM/MM client for the path integral molecular dynamics (PIMD) software i-PI [2, 3, 4]. i-QI allows for carrying out QM/MM simulations simultaneously, allowing for the inclusion of electronic as well as nuclear quantum effects. i-QI implements a new QM/MM scheme based on constraining potentials called QUASAR, which allows handling diffusive systems, such as biomolecules solvated in water solvent. The QUASAR method is suitable in particular when the properties of interest are equilibrium properties, such as the free energy of binding. i-QI is freely available and open source, and we demonstrate it on a test system.}, language = {en} } @inproceedings{BortolettoLindner2025, author = {Bortoletto, Enrico and Lindner, Niels}, title = {Scaling and Rounding Periodic Event Scheduling Instances to Different Period Times}, booktitle = {Operations Research Proceedings 2023}, editor = {Voigt, Guido and Fliedner, Malte and Haase, Knut and Br{\"u}ggemann, Wolfgang and Hoberg, Kai and Meissner, J{\"o}rn}, doi = {10.1007/978-3-031-58405-3_51}, pages = {397 -- 402}, year = {2025}, abstract = {The Periodic Event Scheduling Problem (PESP) is a notoriously hard combinatorial optimization problem, essential for the design of periodic timetables in public transportation. The coefficients of the integer variables in the standard mixed integer linear programming formulations of PESP are the period time, e.g., 60 for a horizon of one hour with a resolution of one minute. In many application scenarios, lines with different frequencies have to be scheduled, leading to period times with many divisors. It then seems natural to consider derived instances, where the period time is a divisor of the original one, thereby smaller, and bounds are scaled and rounded accordingly. To this end, we identify two rounding schemes: wide and tight. We then discuss the approximation performance of both strategies, in theory and practice.}, language = {en} } @misc{BestuzhevaChmielaMuelleretal.2023, author = {Bestuzheva, Ksenia and Chmiela, Antonia and M{\"u}ller, Benjamin and Serrano, Felipe and Vigerske, Stefan and Wegscheider, Fabian}, title = {Global Optimization of Mixed-Integer Nonlinear Programs with SCIP 8.0}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-89348}, year = {2023}, abstract = {For over ten years, the constraint integer programming framework SCIP has been extended by capabilities for the solution of convex and nonconvex mixed-integer nonlinear programs (MINLPs). With the recently published version~8.0, these capabilities have been largely reworked and extended. This paper discusses the motivations for recent changes and provides an overview of features that are particular to MINLP solving in SCIP. Further, difficulties in benchmarking global MINLP solvers are discussed and a comparison with several state-of-the-art global MINLP solvers is provided.}, language = {en} }