@misc{RiedmuellerBuchholzZittel2025, author = {Riedm{\"u}ller, Stephanie and Buchholz, Annika and Zittel, Janina}, title = {Enhancing Multi-Energy Modeling: The Role of Mixed-Integer Optimization Decisions}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-100329}, year = {2025}, abstract = {The goal to decarbonize the energy sector has led to increased research in modeling and optimizing multi-energy systems. One of the most promising and popular techniques for modeling and solving (multi-)energy optimization problems is (multi-objective) mixed-integer programming, valued for its ability to represent the complexities of integrated energy systems. While the literature often focuses on deriving mathematical formulations and parameter settings, less attention is given to critical post-formulation decisions. Modeling multi-energy systems as mixed-integer linear optimization programs demands decisions across multiple degrees of freedom. Key steps include reducing a real-world multi energy network into an abstract topology, defining variables, formulating the relevant (in-)equalities to represent technical requirements, setting (multiple) objectives, and integrating these elements into a mixed-integer program (MIP). However, with these elements fixed, the specific transformation of the abstract topology into a graph structure and the construction of the MIP remain non-uniquely. These choices can significantly impact user-friendliness, problem size, and computational efficiency, thus affecting the feasibility and efficiency of modeling efforts. In this work, we identify and analyze the additional degrees of freedom and describe two distinct approaches to address them. The approaches are compared regarding mathematical equivalence, suitability for solution algorithms, and clarity of the underlying topology. A case study on a realistic subarea of Berlin's district heating network involving tri-objective optimization for a unit commitment problem demonstrates the practical significance of these decisions. By highlighting these critical yet often overlooked aspects, our work equips energy system modelers with insights to improve computational efficiency, scalability, and interpretability in their optimization efforts, ultimately enhancing the practicality and effectiveness of multi-energy system models.}, language = {en} } @misc{PedersenLindnerRehfeldtetal.2025, author = {Pedersen, Jaap and Lindner, Niels and Rehfeldt, Daniel and Koch, Thorsten}, title = {Comparing Branching Rules for the Quota Steiner Tree Problem with Interference}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-101250}, year = {2025}, abstract = {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 to meet a given quota. The extended version, 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. While exact solvers for standard STP-related problems often rely heavily on reduction techniques and cutting-plane methods - rarely generating large branch-and-bound trees - experiments reveal that large instances of QSTPI 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.}, language = {en} } @misc{KempkeKoch2025, author = {Kempke, Nils-Christian and Koch, Thorsten}, title = {A GPU accelerated variant of Schroeppel-Shamir's algorithm for solving the market split problem}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-100554}, year = {2025}, abstract = {The market split problem (MSP), introduced by Cornu{\´e}jols and Dawande (1998), is a challenging binary optimization problem that performs poorly on state-of-the-art linear programming-based branch-and-cut solvers. We present a novel algorithm for solving the feasibility version of this problem, derived from Schroeppel-Shamir's algorithm for the one-dimensional subset sum problem. Our approach is based on exhaustively enumerating one-dimensional solutions of MSP and utilizing GPUs to evaluate candidate solutions across the entire problem. The resulting hybrid CPU-GPU implementation efficiently solves instances with up to 10 constraints and 90 variables. We demonstrate the algorithm's performance on benchmark problems, solving instances of size (9, 80) in less than fifteen minutes and (10, 90) in up to one day.}, language = {en} } @article{KochBernalNeiraChenetal.2025, author = {Koch, Thorsten and Bernal Neira, David E. and Chen, Ying and Cortiana, Giorgio and Egger, Daniel J. and Heese, Raoul and Hegade, Narendra N. and Gomez Cadavid, Alejandro and Huang, Rhea and Itoko, Toshinari and Kleinert, Thomas and Maciel Xavier, Pedro and Mohseni, Naeimeh and Montanez-Barrera, Jhon A. and Nakano, Koji and Nannicini, Giacomo and O'Meara, Corey and Pauckert, Justin and Proissl, Manuel and Ramesh, Anurag and Schicker, Maximilian and Shimada, Noriaki and Takeori, Mitsuharu and Valls, Victor and Van Bulck, David and Woerner, Stefan and Zoufal, Christa}, title = {Quantum Optimization Benchmark Library -- The Intractable Decathlon}, arxiv = {http://arxiv.org/abs/2504.03832}, year = {2025}, abstract = {Through recent progress in hardware development, quantum computers have advanced to the point where benchmarking of (heuristic) quantum algorithms at scale is within reach. Particularly in combinatorial optimization -- where most algorithms are heuristics -- it is key to empirically analyze their performance on hardware and track progress towards quantum advantage. To this extent, we present ten optimization problem classes that are difficult for existing classical algorithms and can (mostly) be linked to practically-relevant applications, with the goal to enable systematic, fair, and comparable benchmarks for quantum optimization methods. Further, we introduce the Quantum Optimization Benchmark Library (QOBLIB) where the problem instances and solution track records can be found. The individual properties of the problem classes vary in terms of objective and variable type, coefficient ranges, and density. Crucially, they all become challenging for established classical methods already at system sizes ranging from less than 100 to, at most, an order of 100,000 decision variables, allowing to approach them with today's quantum computers. We reference the results from state-of-the-art solvers for instances from all problem classes and demonstrate exemplary baseline results obtained with quantum solvers for selected problems. The baseline results illustrate a standardized form to present benchmarking solutions, which has been designed to ensure comparability of the used methods, reproducibility of the respective results, and trackability of algorithmic and hardware improvements over time. We encourage the optimization community to explore the performance of available classical or quantum algorithms and hardware platforms with the benchmarking problem instances presented in this work toward demonstrating quantum advantage in optimization.}, language = {en} } @inproceedings{RiedmuellerBuchholzZittel2025, author = {Riedm{\"u}ller, Stephanie and Buchholz, Annika and Zittel, Janina}, title = {Enhancing Multi-Energy Modeling: The Role of Mixed-Integer Optimization Decisions}, booktitle = {The 38th International Conference on Efficiency, Cost, Optimization, Simulation and Environmental Impact of Energy Systems - ECOS 2025}, arxiv = {http://arxiv.org/abs/2505.14492}, year = {2025}, abstract = {The goal to decarbonize the energy sector has led to increased research in modeling and optimizing multi-energy systems. One of the most promising and popular techniques for modeling and solving (multi-)energy optimization problems is (multi-objective) mixed-integer programming, valued for its ability to represent the complexities of integrated energy systems. While the literature often focuses on deriving mathematical formulations and parameter settings, less attention is given to critical post-formulation decisions. Modeling multi-energy systems as mixed-integer linear optimization programs demands decisions across multiple degrees of freedom. Key steps include reducing a real-world multi energy network into an abstract topology, defining variables, formulating the relevant (in-)equalities to represent technical requirements, setting (multiple) objectives, and integrating these elements into a mixed-integer program (MIP). However, with these elements fixed, the specific transformation of the abstract topology into a graph structure and the construction of the MIP remain non-uniquely. These choices can significantly impact user-friendliness, problem size, and computational efficiency, thus affecting the feasibility and efficiency of modeling efforts. In this work, we identify and analyze the additional degrees of freedom and describe two distinct approaches to address them. The approaches are compared regarding mathematical equivalence, suitability for solution algorithms, and clarity of the underlying topology. A case study on a realistic subarea of Berlin's district heating network involving tri-objective optimization for a unit commitment problem demonstrates the practical significance of these decisions. By highlighting these critical yet often overlooked aspects, our work equips energy system modelers with insights to improve computational efficiency, scalability, and interpretability in their optimization efforts, ultimately enhancing the practicality and effectiveness of multi-energy system models.}, language = {en} } @misc{MehlLindnerBartoszuketal.2025, author = {Mehl, Lukas and Lindner, Niels and Bartoszuk, Karolina and Zittel, Janina}, title = {Prototypical warm-starts for demand-robust LP-based energy system optimization}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-101242}, year = {2025}, abstract = {The expressiveness of energy system optimization models (ESOMs) depends on a multitude of exogenous parameters. For example, sound estimates of the future energy demand are essential to enable qualified decisions on long-term investments. However, the enormous demand fluctuations even on a fine-grained scale diminish the computational performance of large-scale ESOMs. We therefore propose a clustering-and-decomposition method for linear programming based ESOMs that first identifies and solves prototypical demand scenarios with the dual simplex algorithm, and then composes dual optimal prototype bases to a warm-start basis for the full model. We evaluate the feasibility and computational efficiency our approach on a real-world case study, using a sector-coupled ESOM with hourly resolution for the Berlin-Brandenburg area in Germany, based on the oemof framework.}, language = {en} } @misc{RiedmuellerZittelKoch2025, author = {Riedm{\"u}ller, Stephanie and Zittel, Janina and Koch, Thorsten}, title = {Warm-starting Strategies in Scalarization Methods for Multi-Objective Optimization}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-101073}, year = {2025}, abstract = {We explore how warm-starting strategies can be integrated into scalarization-based approaches for multi-objective optimization in (mixed) integer linear programming. Scalarization methods remain widely used classical techniques to compute Pareto-optimal solutions in applied settings. They are favored due to their algorithmic simplicity and broad applicability across continuous and integer programs with an arbitrary number of objectives. While warm-starting has been applied in this context before, a systematic methodology and analysis remain lacking. We address this gap by providing a theoretical characterization of warm-starting within scalarization methods, focusing on the sequencing of subproblems. However, optimizing the order of subproblems to maximize warm-start efficiency may conflict with alternative criteria, such as early identification of infeasible regions. We quantify these trade-offs through an extensive computational study.}, language = {en} } @incollection{GotzesBuchholzKallrathetal.2025, author = {Gotzes, Uwe and Buchholz, Annika and Kallrath, Josef and Lindner, Niels and Koch, Thorsten}, title = {Flexible Pooling Pattern Design with Integer Programming}, volume = {226}, booktitle = {Theory, Algorithms and Experiments in Applied Optimization. In Honor of the 70th Birthday of Panos Pardalos}, publisher = {Springer}, year = {2025}, abstract = {Sample pooling has the potential to significantly enhance large-scale screening procedures, especially in scenarios like the COVID-19 pandemic, where rapid and widespread PCR testing has been crucial. Efficient strategies are essential to increase the testing capacity, i.e., the number of tests that can be processed within a given timeframe. Non-adaptive pooling strategies can further streamline the testing process by reducing the required testing rounds. In contrast to adaptive strategies, where subsequent tests depend on prior results, non-adaptive pooling processes all samples in a single round, eliminating the need for sequential retesting and reducing delays. This paper presents a highly flexible method based on integer programming to design optimized pooling patterns suitable for various applications, including medical diagnostics and quality control in industrial production. Using coronavirus testing as a case study, we formulate and solve optimization and satisfiability models that compute efficient pool designs. Our optimized pooling does not only increase testing capacity, but also accelerates the testing process and reduces overall costs. The proposed method is adaptable and can be seamlessly integrated into automated testing systems.}, language = {en} } @article{ZhouChenPengetal.2025, author = {Zhou, Lei and Chen, Ying and Peng, Hanqiu and Koch, Thorsten}, title = {Is innovation slowing down? Insights from the AIMS framework of patent values}, volume = {280}, journal = {Expert Systems with Applications}, doi = {10.1016/j.eswa.2025.127355}, pages = {127355}, year = {2025}, abstract = {Amidst the unprecedented expansion of scientific and technological knowledge over the past century, concerns persist regarding a slowdown in innovation. To address this, we introduce the AIMS framework, which categorizes patents into four types—Aurora, Invisible, Mirage, and Success—based on their respective inherent scientific values and market-recognized economic values. Utilizing USPTO patent and citation data from 1976 to 2022, our analysis reveals an increasing volume of patent issuances but a concerning dilution in scientific quality starting in the 2000s. This trend is primarily attributed to the rise of low scientific value patents—categorized as Mirage and Invisible—and a modest decline in high-impact scientific patents—categorized as Success and Aurora. Meanwhile, the economic value of patents has risen, especially noted with the growth in Mirage patents since the 2010s, indicating a shift towards strategies that prioritize market-driven patenting. This study highlights the evolving nature of patents from mere indicators of scientific innovation to strategic tools for market dominance, providing an alternative understanding of patent value and its implications for firms' strategic decisions over patent issuance across different sectors.}, language = {en} } @article{RiedmuellerKoch2025, author = {Riedm{\"u}ller, Stephanie and Koch, Thorsten}, title = {Exact Objective Space Contraction for the Preprocessing of Multi-objective Integer Programs}, arxiv = {http://arxiv.org/abs/2512.01535}, year = {2025}, abstract = {Solving integer optimization problems with large or widely ranged objective coefficients can lead to numerical instability and increased runtimes. When the problem also involves multiple objectives, the impact of the objective coefficients on runtimes and numerical issues multiplies. We address this issue by transforming the coefficients of linear objective functions into smaller integer coefficients. To the best of our knowledge, this problem has not been defined before. Next to a straightforward scaling heuristic, we introduce a novel exact transformation approach for the preprocessing of multi-objective binary problems. In this exact approach, the large or widely ranged integer objective coefficients are transformed into the minimal integer objective coefficients that preserve the dominance relation of the points in the objective space. The transformation problem is solved with an integer programming formulation with an exponential number of constraints. We present a cutting-plane algorithm that can efficiently handle the problem size. In a first computational study, we analyze how often and in which settings the transformation actually leads to smaller coefficients. In a second study, we evaluate how the exact transformation and a typical scaling heuristic, when used as preprocessing, affect the runtime and numerical stability of the Defining Point Algorithm.}, language = {en} } @article{ChenKochPengetal.2025, author = {Chen, Ying and Koch, Thorsten and Peng, Hanqui and Zhang, Hongrui}, title = {Benchmarking of Quantum and Classical Computing in Large-Scale Dynamic Portfolio Optimization Under Market Frictions}, arxiv = {http://arxiv.org/abs/2502.05226}, year = {2025}, abstract = {Quantum computing is poised to transform the financial industry, yet its advantages over traditional methods have not been evidenced. As this technology rapidly evolves, benchmarking is essential to fairly evaluate and compare different computational strategies. This study presents a challenging yet solvable problem of large-scale dynamic portfolio optimization under realistic market conditions with frictions. We frame this issue as a Quadratic Unconstrained Binary Optimization (QUBO) problem, compatible with digital computing and ready for quantum computing, to establish a reliable benchmark. By applying the latest solvers to real data, we release benchmarks that help verify true advancements in dynamic trading strategies, either quantum or digital computing, ensuring that reported improvements in portfolio optimization are based on robust, transparent, and comparable metrics.}, language = {en} } @article{PetkovicZittel2025, author = {Petkovic, Milena and Zittel, Janina}, title = {Leveraging Transfer Learning to Overcome Data Limitations in Czochralski Crystal Growth}, volume = {8}, journal = {Advanced Theory and Simulations}, number = {11}, doi = {10.1002/adts.202500677}, year = {2025}, language = {en} } @inproceedings{RiedmuellerRivettaZittel2025, author = {Riedm{\"u}ller, Stephanie and Rivetta, Fabian and Zittel, Janina}, title = {Long-Term Multi-Objective Optimization for Integrated Unit Commitment and Investment Planning for District Heating Networks}, booktitle = {Operations Research Proceedings 2024}, publisher = {Springer Cham}, arxiv = {http://arxiv.org/abs/2410.06673}, doi = {10.1007/978-3-031-92575-7_33}, pages = {235 -- 241}, year = {2025}, abstract = {The need to decarbonize the energy system has intensified the focus on district heating networks in urban and suburban areas. Therefore, exploring transformation pathways with reasonable trade-offs between economic viability and environmental goals became necessary. We introduce a network-flow-based model class integrating unit commitment and long-term investment planning for multi-energy systems. While the integration of unit commitment and investment planning has been applied to multi-energy systems, a formal introduction and suitability for the application of long-term portfolio planning of an energy provider on an urban scale has yet to be met. Based on mixed integer linear programming, the model bridges the gap between overly detailed industrial modeling tools not designed for computational efficiency at scale and rather abstract academic models. The formulation is tested on Berlin's district heating network. Hence, the challenge lies in a large number of variables and constraints and the coupling of time steps, for example, through investment decisions. A case study explores different solutions on the Pareto front defined by optimal trade-offs between minimizing costs and CO2 emissions through a lexicographic optimization approach. The resulting solution catalog can provide decision-makers valuable insights into feasible transformation pathways, highlighting distinctions between robust and target-dependent investments.}, language = {en} } @inproceedings{PetkovicZittel2025, author = {Petkovic, Milena and Zittel, Janina}, title = {Resilient Forecasting of High-Dimensional Network Time Series in the Energy Domain: A Hybrid Approach}, booktitle = {Operations Research Proceedings 2023. OR 2023}, publisher = {Springer}, doi = {10.1007/978-3-031-58405-3_48}, pages = {375 -- 381}, year = {2025}, abstract = {Energy systems are complex networks consisting of various interconnected components. Accurate energy demand and supply forecasts are crucial for efficient system operation and decision-making. However, high-dimensional data, complex network structures, and dynamic changes and disruptions in energy networks pose significant challenges for forecasting models. To address this, we propose a hybrid approach for resilient forecasting of network time series (HRF-NTS) in the energy domain. Our approach combines mathematical optimization methods with state-of-the-art machine learning techniques to achieve accurate and robust forecasts for high-dimensional energy network time series. We incorporate an optimization framework to account for uncertainties and disruptive changes in the energy system. The effectiveness of the proposed approach is demonstrated through a case study of forecasting energy demand and supply in a complex, large-scale natural gas transmission network. The results show that the hybrid approach outperforms alternative prediction models in terms of accuracy and resilience to structural changes and disruptions, providing stable, multi-step ahead forecasts for different short to mid-term forecasting horizons.}, language = {en} } @inproceedings{YuekselErguenKochZittel2025, author = {Yueksel-Erguen, Inci and Koch, Thorsten and Zittel, Janina}, title = {Consistent flow scenario generation based on open data for operational analysis of European gas transport networks}, booktitle = {Operations Research Proceedings 2023. OR 2023}, publisher = {Springer}, doi = {10.1007/978-3-031-58405-3_63}, pages = {493 -- 499}, year = {2025}, abstract = {In recent years, European gas transport has been affected by major disruptive events like political issues such as, most recently, the Russian war on Ukraine. To incorporate the impacts of such events into decision-making during the energy transition, more complex models for gas network analysis are required. However, the limited availability of consistent data presents a significant obstacle in this endeavor. We use a mathematical-modeling-based scenario generator to deal with this obstacle. The scenario generator consists of capacitated network flow models representing the gas network at different aggregation levels. In this study, we present the coarse-to-fine approach utilized in this scenario generator.}, language = {en} } @inproceedings{KochRehfeldtShinano2025, author = {Koch, Thorsten and Rehfeldt, Daniel and Shinano, Yuji}, title = {On the state of QUBO solving}, booktitle = {Operations Research Proceedings 2023. OR 2023}, publisher = {Springer}, doi = {10.1007/978-3-031-58405-3_46}, pages = {357 -- 365}, year = {2025}, abstract = {It is regularly claimed that quantum computers will bring breakthrough progress in solving challenging combinatorial optimization problems relevant in practice. In particular, Quadratic Unconstrained Binary Optimization (QUBO) problems are said to be the model of choice for use in (adiabatic) quantum systems during the noisy intermediate- scale quantum (NISQ) era. Even the first commercial quantum-based systems are advertised to solve such problems. Theoretically, any Integer Program can be converted into a QUBO. In practice, however, there are some caveats, as even for problems that can be nicely modeled as a QUBO, this might not be the most effective way to solve them. We review the state of QUBO solving on digital and quantum computers and provide insights regarding current benchmark instances and modeling.}, language = {en} } @inproceedings{YuekselErguenLitzelPeng2025, author = {Yueksel Erguen, Inci and Litzel, Ida and Peng, Hanqiu}, title = {Integrating Large Citation Datasets}, booktitle = {Operations Research Proceedings 2024. OR 2024}, doi = {10.1007/978-3-031-92575-7_7}, pages = {46 -- 52}, year = {2025}, abstract = {This paper explores methods for building a comprehensive citation graph using big data techniques to evaluate scientific impact more accurately. Traditional citation metrics have limitations, and this work investigates merging large citation datasets to create a more accurate picture. Challenges of big data, like inconsistent data formats and lack of unique identifiers, are addressed through deduplication efforts, resulting in a streamlined and reliable merged dataset with over 119 million records and 1.4 billion citations. We demonstrate that merging large citation datasets builds a more accurate citation graph facilitating a more robust evaluation of scientific impact.}, language = {en} } @article{ZakiyevaPetkovic2025, author = {Zakiyeva, Nazgul and Petkovic, Milena}, title = {High-dimensional high-frequency time series prediction with a mixed integer optimisation method}, journal = {Operations Research Proceedings 2023. OR 2023}, issn = {1438-0064}, doi = {10.1007/978-3-031-58405-3_54}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-93068}, pages = {423 -- 429}, year = {2025}, abstract = {We study a functional autoregressive model for high-frequency time series. We approach the estimation of the proposed model using a Mixed Integer Optimisation method. The proposed model captures serial dependence in the functional time series by including high-dimensional curves. We illustrate our methodology on large-scale natural gas network data. Our model provides more accurate day-ahead hourly out-of-sample forecast of the gas in and out-flows compared to alternative prediction models.}, language = {en} } @misc{VuLitzelKoch2025, author = {Vu, Thi Huong and Litzel, Ida and Koch, Thorsten}, title = {Similarity-based fuzzy clustering scientific articles: potentials and challenges from mathematical and computational perspectives}, arxiv = {http://arxiv.org/abs/2506.04045}, year = {2025}, abstract = {Fuzzy clustering, which allows an article to belong to multiple clusters with soft membership degrees, plays a vital role in analyzing publication data. This problem can be formulated as a constrained optimization model, where the goal is to minimize the discrepancy between the similarity observed from data and the similarity derived from a predicted distribution. While this approach benefits from leveraging state-of-the-art optimization algorithms, tailoring them to work with real, massive databases like OpenAlex or Web of Science -- containing about 70 million articles and a billion citations -- poses significant challenges. We analyze potentials and challenges of the approach from both mathematical and computational perspectives. Among other things, second-order optimality conditions are established, providing new theoretical insights, and practical solution methods are proposed by exploiting the problem's structure. Specifically, we accelerate the gradient projection method using GPU-based parallel computing to efficiently handle large-scale data.}, language = {en} } @misc{ZakiyevaPetkovic2025, author = {Zakiyeva, Nazgul and Petkovic, Milena}, title = {Large-scale functional network time series model solved with mathematical programming approach}, journal = {Econometrics and Statistics}, doi = {10.1016/j.ecosta.2025.10.001}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-101936}, year = {2025}, abstract = {A functional network autoregressive model is proposed for studying large-scale network time series observed at high temporal resolution. The model incorporates high-dimensional curves to capture both serial and cross-sectional dependence in large-scale network functional time series. Estimation of the model is approached using a Mixed Integer Optimization method. Simulation studies confirm the consistency of parameter and adjacency matrix estimation. The method is applied to data from a real-life natural gas supply network. Compared to alternative prediction models, the proposed model delivers more accurate day-ahead hourly out-of-sample forecasts of the gas inflows and outflows at most gas nodes.}, language = {en} }