TY - JOUR A1 - Chmiela, Antonia A1 - Muñoz, Gonzalo A1 - Serrano, Felipe T1 - On the implementation and strengthening of intersection cuts for QCQPs JF - Mathematical Programming B Y1 - 2023 U6 - https://doi.org/10.1007/s10107-022-01808-5 VL - 197 SP - 549 EP - 586 ER - TY - CHAP A1 - Chmiela, Antonia A1 - Khalil, Elias B. A1 - Gleixner, Ambros A1 - Lodi, Andrea A1 - Pokutta, Sebastian T1 - Learning to Schedule Heuristics in Branch and Bound T2 - Thirty-fifth Conference on Neural Information Processing Systems, NeurIPS 2021 N2 - Primal heuristics play a crucial role in exact solvers for Mixed Integer Programming (MIP). While solvers are guaranteed to find optimal solutions given sufficient time, real-world applications typically require finding good solutions early on in the search to enable fast decision-making. While much of MIP research focuses on designing effective heuristics, the question of how to manage multiple MIP heuristics in a solver has not received equal attention. Generally, solvers follow hard-coded rules derived from empirical testing on broad sets of instances. Since the performance of heuristics is instance-dependent, using these general rules for a particular problem might not yield the best performance. In this work, we propose the first data-driven framework for scheduling heuristics in an exact MIP solver. By learning from data describing the performance of primal heuristics, we obtain a problem-specific schedule of heuristics that collectively find many solutions at minimal cost. We provide a formal description of the problem and propose an efficient algorithm for computing such a schedule. Compared to the default settings of a state-of-the-art academic MIP solver, we are able to reduce the average primal integral by up to 49% on a class of challenging instances. Y1 - 2021 ER - TY - CHAP A1 - Chmiela, Antonia A1 - Muñoz, Gonzalo A1 - Serrano, Felipe T1 - Monoidal strengthening and unique lifting in MIQCPs T2 - Integer Programming and Combinatorial Optimization. IPCO 2023. N2 - 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. Y1 - 2023 U6 - https://doi.org/10.1007/978-3-031-32726-1_7 VL - 13904 SP - 87 EP - 99 ER - TY - CHAP A1 - Chmiela, Antonia A1 - Muñoz, Gonzalo A1 - Serrano, Felipe T1 - On the implementation and strengthening of intersection cuts for QCQPs T2 - Integer Programming and Combinatorial Optimization: 22nd International Conference, IPCO 2021 N2 - The generation of strong linear inequalities for QCQPs has been recently tackled by a number of authors using the intersection cut paradigm - a highly studied tool in integer programming whose flexibility has triggered these renewed efforts in non-linear settings. In this work, we consider intersection cuts using the recently proposed construction of maximal quadratic-free sets. Using these sets, we derive closed-form formulas to compute intersection cuts which allow for quick cut-computations by simply plugging-in parameters associated to an arbitrary quadratic inequality being violated by a vertex of an LP relaxation. Additionally, we implement a cut-strengthening procedure that dates back to Glover and evaluate these techniques with extensive computational experiments. Y1 - 2021 U6 - https://doi.org/10.1007/978-3-030-73879-2_10 VL - 22 SP - 134 EP - 147 ER - TY - JOUR A1 - Kotil, Ayse A1 - Pelofske, Elijah A1 - Riedmüller, Stephanie A1 - Egger, Daniel J. A1 - Eidenbenz, Stephan A1 - Koch, Thorsten A1 - Woerner, Stefan T1 - Quantum Approximate Multi-Objective Optimization JF - Nature Computational Science N2 - The goal of multi-objective optimization is to understand optimal trade-offs between competing objective functions by finding the Pareto front, i.e., the set of all Pareto optimal solutions, where no objective can be improved without degrading another one. Multi-objective optimization can be challenging classically, even if the corresponding single-objective optimization problems are efficiently solvable. Thus, multi-objective optimization represents a compelling problem class to analyze with quantum computers. In this work, we use low-depth Quantum Approximate Optimization Algorithm to approximate the optimal Pareto front of certain multi-objective weighted maximum cut problems. We demonstrate its performance on an IBM Quantum computer, as well as with Matrix Product State numerical simulation, and show its potential to outperform classical approaches. Y1 - 2025 U6 - https://doi.org/10.1038/s43588-025-00873-y SP - 1168 EP - 1177 ER - TY - CHAP A1 - Bortoletto, Enrico A1 - Lindner, Niels ED - Voigt, Guido ED - Fliedner, Malte ED - Haase, Knut ED - Brüggemann, Wolfgang ED - Hoberg, Kai ED - Meissner, Jörn T1 - Scaling and Rounding Periodic Event Scheduling Instances to Different Period Times T2 - Operations Research Proceedings 2023 N2 - 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. Y1 - 2025 U6 - https://doi.org/10.1007/978-3-031-58405-3_51 SP - 397 EP - 402 ER - TY - JOUR A1 - Sikeler, Christoph A1 - Kempter, Susanne A1 - Sekulic, Ivan A1 - Burger, Sven A1 - Liedl, Tim T1 - Chiral Plasmonic Crystals Self-Assembled by DNA Origami JF - J. Phys. Chem. C Y1 - 2025 U6 - https://doi.org/10.1021/acs.jpcc.4c08768 VL - 129 IS - 10 SP - 5116 EP - 5121 ER - TY - JOUR A1 - Zittel, Janina A1 - Petkovic, Milena A1 - Einck, Mathias T1 - Forecasting Hourly Gas Flows JF - Foresight - The International Journal of Applied Forecasting Y1 - 2025 UR - https://econpapers.repec.org/RePEc:for:ijafaa:y:2025:i:79:p:40-44 VL - 79 SP - 40 EP - 44 ER - TY - JOUR A1 - Woodstock, Zev A1 - Pokutta, Sebastian T1 - Splitting the conditional gradient algorithm JF - SIAM Journal on Optimization Y1 - 2025 U6 - https://doi.org/10.1137/24M1638008 VL - 35 IS - 1 SP - 347 EP - 368 ER - TY - JOUR A1 - Shimada, Naoki A1 - Mako, Sato A1 - Yaegashi, Yuta A1 - Koch, Thorsten A1 - Le, Thi Thai T1 - An Application of Modified S-CLSVOF Method to Kelvin-Helmholtz Instability and Comparison with Theoretical Result JF - Journal of Chemical Engineering of Japan N2 - This study focuses on validating a two-phase flow solver based on the modified Simple Coupled Level Set and Volume of Fluid method (Uchihashi et al. (2023)) through viscous Kelvin-Helmholtz instability simulations. Our numerical simulation results are compared with the ones given by Funada and Joseph (2001) to provide reliable predictions of interface behavior under the influence of viscosity. The primary goal is to accurately assess the solver's ability to replicate theoretical analysis of interface behaviors under various conditions. First, the wave between two fluids of identical density is calculated. In addition, the effect of surface tension is investigated. By comparing growth rates, numerical simulations obtain well-agreements with the analytical results on the effect of the fluid viscosity, the wave number, and the surface tension. Finally, fluid density is changed to an air-water system. When relative velocity U is smaller than the criteria of relative velocity U_c given by analytical solutions, the wave is not broken. However, waves are splashed into droplets in the condition of U>U_c. This result agrees with the analysis by Funada and Joseph (2001). These findings provide a robust framework for applying the solver to more complex two-phase flow problems, supporting advancements in numerical simulations of fluid interfaces. Y1 - 2025 U6 - https://doi.org/10.1080/00219592.2025.2451953 VL - 58 IS - 1 PB - Taylor and Francis ER - TY - JOUR A1 - Rong, Guoyang A1 - Chen, Ying A1 - Koch, Thorsten A1 - Honda, Keisuke T1 - Assessing data quality in citation analysis: A case study of web of science and Crossref JF - Journal of Informetrics Y1 - 2026 U6 - https://doi.org/10.1016/j.joi.2026.101775 SN - 1751-1577 VL - 20 IS - 1 PB - Elsevier BV ER - TY - CHAP A1 - Ebert, Patricia A1 - Masing, Berenike A1 - Lindner, Niels A1 - Gleixner, Ambros T1 - Sorting Criteria for Line-based Periodic Timetabling Heuristics T2 - Operations Research Proceedings 2024. OR 2024 N2 - It is well-known that optimal solutions are notoriously hard to find for the Periodic Event Scheduling Problem (PESP), which is the standard mathematical formulation to optimize periodic timetables in public transport. We consider a class of incremental heuristics that have been demonstrated to be effective by Lindner and Liebchen (2023), however, for only one fixed sorting strategy of lines along which a solution is constructed. Thus, in this paper, we examine a variety of sortings based on the number, weight, weighted span, and lower bound of arcs, and test for each setting various combinations of the driving, dwelling, and transfer arcs of lines. Additionally, we assess the impact on the incremental extension of the event-activity network by minimizing resp. maximizing a connectivity measure between subsets of lines. We compare our 27 sortings on the railway instances of the benchmarking library PESPlib within the ConcurrentPESP solver framework. We are able to find five new incumbent solutions, resulting in improvements of up to 2%. Y1 - 2025 SP - 348 EP - 354 ER - TY - GEN A1 - Vanaret, Charlie A1 - Leyffer, Sven T1 - Implementing a unified solver for nonlinearly constrained optimization N2 - SQP and interior-point methods (also referred to as Lagrange-Newton methods) typically share key algorithmic components, such as strategies for computing descent directions and mechanisms that promote global convergence. Building on this insight, we introduce a unifying framework with eight building blocks that abstracts the workflows of Lagrange-Newton methods. We then present Uno, a modular C++ solver that implements our unifying framework and allows the automatic combination of a wide range of strategies with no programming effort from the user. Uno is meant to (1) organize mathematical optimization strategies into a coherent hierarchy; (2) offer a wide range of efficient and robust methods that can be compared for a given instance; (3) enable researchers to experiment with novel optimization strategies; and (4) reduce the cost of development and maintenance of multiple optimization solvers. Uno's software design allows user to compose new customized solvers for emerging optimization areas such as robust optimization or optimization problems with complementarity constraints, while building on reliable nonlinear optimization techniques. We demonstrate that Uno is highly competitive against state-of-the-art solvers filterSQP, IPOPT, SNOPT, MINOS, LANCELOT, LOQO, and CONOPT on a subset of 429 small problems from the CUTE collection. Uno is available as open-source software under the MIT license at this https URL and via its C, Julia, Python, Fortran, and AMPL interfaces. Y1 - 2026 ER - TY - JOUR A1 - Halbig, Katrin A1 - Hoen, Alexander A1 - Gleixner, Ambros A1 - Witzig, Jakob A1 - Weninger, Dieter T1 - A diving heuristic for mixed-integer problems with unbounded semi-continuous variables JF - EURO Journal on Computational Optimization Y1 - 2025 U6 - https://doi.org/10.1016/j.ejco.2025.100107 VL - 13 ER - TY - JOUR A1 - Bestuzheva, Ksenia A1 - Gleixner, Ambros A1 - Achterberg, Tobias T1 - Efficient separation of RLT cuts for implicit and explicit bilinear terms JF - Mathematical Programming Y1 - 2025 U6 - https://doi.org/10.1007/s10107-024-02104-0 VL - 210 SP - 47 EP - 74 ER - TY - CHAP A1 - Ghannam, Mohammed A1 - Gleixner, Ambros T1 - Hybrid Genetic Search for Dynamic Vehicle Routing with Time Windows T2 - Operations Research Proceedings 2023. OR 2023 Y1 - 2025 U6 - https://doi.org/10.1007/978-3-031-58405-3_35 ER - TY - JOUR A1 - Hoen, Alexander A1 - Kamp, Dominik A1 - Gleixner, Ambros T1 - MIP-DD: Delta Debugging for Mixed-Integer Programming Solvers JF - INFORMS Journal on Computing Y1 - 2025 U6 - https://doi.org/10.1287/ijoc.2024.0844 ER - TY - JOUR A1 - Mehrmann, Carolin A1 - Johny, Jacob A1 - Ebbinghaus, Petra A1 - Hammerschmidt, Martin A1 - Das, Ankita A1 - Wei, Xin A1 - Tesch, Marc F. A1 - Rabe, Martin T1 - Nano IR spectroscopy on Silicon-Supported Organic–Inorganic Hybrid Materials JF - Phys. Chem. Chem. Phys. Y1 - 2026 U6 - https://doi.org/10.1039/D5CP03815D PB - Royal Society of Chemistry (RSC) ER - TY - CHAP A1 - Pedersen, Jaap A1 - Lindner, Niels A1 - Rehfeldt, Daniel A1 - Koch, Thorsten T1 - Comparing Branching Rules for the Quota Steiner Tree Problem with Interference T2 - Operations Research Proceedings 2025 N2 - Branching decisions play a crucial role in branch-and-bound algorithms for solving combinatorial optimization problems. In this paper, we investigate several branching rules applied to the Quota Steiner Tree Problem with Interference (QSTPI). The Quota Steiner Tree Problem (QSTP) generalizes the classical Steiner Tree Problem (STP) in graphs by seeking a minimum-cost tree that connects a subset of profit-associated vertices whose cumulative profit meets or exceeds a given quota. The QSTPI introduces interference among vertices: Selecting certain vertices simultaneously reduces their individual contributions to the overall profit. This problem arises, for example, in positioning and connecting wind turbines, where turbines possibly shadow other turbines, reducing their energy yield. Unlike classical STP variants, large QSTPI instances require significantly more branching to compute provably optimal solutions. In contrast to branching on variables, we utilize the combinatorial structure of the QSTPI by branching on the graph's vertices. We adapt classical and problem-specific branching rules and present a comprehensive computational study comparing the effectiveness of these branching strategies. Y1 - 2026 ER - TY - CHAP A1 - Franke, Paula A1 - Hamacher, Kay A1 - Manns, Paul T1 - Minimizing and Maximizing the Shannon Entropy for Fixed Marginals T2 - Operations Research Proceedings 2025 N2 - The mutual information (MI) between two random variables is an important correlation measure in data analysis. The Shannon entropy of a joint probability distri- bution is the variable part under fixed marginals. We aim to minimize and maximize it to obtain the largest and smallest MI possible in this case, leading to a scaled MI ratio for better comparability. We present algorithmic approaches and optimal solutions for a set of problem instances based on data from molecular evolution. We show that this allows us to construct a sensible, systematic correction to raw MI values. Y1 - 2026 ER - TY - JOUR A1 - Lelièvre, Tony A1 - Zhang, Wei T1 - Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates JF - Multiscale Modeling and Simulation N2 - Effective dynamics using conditional expectation was proposed in [F. Legoll and T. Lelièvre, Nonlinearity, 2010] to approximate the essential dynamics of high-dimensional diffusion processes along a given reaction coordinate. The approximation error of the effective dynamics when it is used to approximate the behavior of the original dynamics has been considered in recent years. As a continuation of the previous work [F. Legoll, T. Lelièvre, and S. Olla, Stoch. Process. Appl, 2017], in this paper we obtain pathwise estimates for effective dynamics when the reaction coordinate function is either nonlinear or vector-valued. Y1 - 2018 U6 - https://doi.org/10.1137/18M1186034 IS - 17 SP - 1019 EP - 1051 ER -