@article{LiBitterNguyenetal.2025, author = {Li, Jianning and Bitter, Kerstin and Nguyen, Anh Duc and Shemesh, Hagay and Zaslansky, Paul and Zachow, Stefan}, title = {Computational Insights into Root Canal Treatment: A Survey of Selected Methods in Imaging, Segmentation, Morphological Analysis, and Clinical Management}, volume = {13}, journal = {dentistry journal}, number = {12}, publisher = {MDPI}, doi = {https://doi.org/10.3390/dj13120579}, pages = {27}, year = {2025}, abstract = {Background/Objectives: Root canal treatment (RCT) is a common dental procedure performed to preserve teeth by removing infected or at-risk pulp tissue caused by caries, trauma, or other pulpal conditions. A successful outcome, among others, depends on accurate identification of the root canal anatomy, planning a suitable therapeutic strategy, and ensuring a bacteria-tight root canal filling. Despite advances in dental techniques, there remains limited integration of computational methods to support key stages of treatment. This review aims to provide a comprehensive overview of computational methods applied throughout the full workflow of RCT, examining their potential to support clinical decision-making, improve treatment planning and outcome assessment, and help bridge the interdisciplinary gap between dentistry and computational research. Methods: A comprehensive literature review was conducted to identify and analyze computational methods applied to different stages of RCT, including root canal segmentation, morphological analysis, treatment planning, quality evaluation, follow-up, and prognosis prediction. In addition, a taxonomy based on application was developed to categorize these methods based on their function within the treatment process. Insights from the authors' own research experience were also incorporated to highlight implementation challenges and practical considerations. Results: The review identified a wide range of computational methods aimed at enhancing the consistency and efficiency of RCT. Key findings include the use of advanced image processing for segmentation, image analysis for diagnosis and treatment planning, machine learning for morphological classification, and predictive modeling for outcome estimation. While some methods demonstrate high sensitivity and specificity in diagnostic and planning tasks, many remain in experimental stages and lack clinical integration. There is also a noticeable absence of advanced computational techniques for micro-computed tomography and morphological analysis. Conclusions: Computational methods offer significant potential to improve decision-making and outcomes in RCT. However, greater focus on clinical translation and development of cross-modality methodology is needed. The proposed taxonomy provides a structured framework for organizing existing methods and identifying future research directions tailored to specific phases of treatment. This review serves as a resource for both dental professionals, computer scientists and researchers seeking to bridge the gap between clinical practice and computational innovation.}, 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{SchwopeMarshParsonsetal.2025, author = {Schwope, A.D. and Marsh, T.R. and Parsons, S.G. and Vogel, J. and Dhillon, V.S.}, title = {Unveiling the white dwarf in the eclipsing polar HU Aquarii}, journal = {Astronomy \& Astrophysics}, doi = {10.1051/0004-6361/202557306}, year = {2025}, language = {en} } @article{HoelterLemkeWeinzierletal.2025, author = {H{\"o}lter, Arne and Lemke, Mathias and Weinzierl, Stefan and Stein, Lewin}, title = {Non-Reflecting Characteristic Boundary Conditions for Adjoint Time-Domain Acoustic Simulations}, journal = {Journal of Theoretical and Computational Acoustics}, year = {2025}, abstract = {Accurate acoustic simulations in the free field require non-reflective boundary conditions to suppress spurious reflections at the computational domain boundaries. Although several characteristic-based formulations for direct (forward) simulations have been proposed in recent decades, the adjoint formulations of such characteristic-based boundary conditions (CBCs) have received limited atten- tion in the literature and lack a comprehensive analysis. This paper presents the derivation and evaluation of adjoint CBCs complementing the existing direct CBCs. Both the forward and adjoint CBCs are applied to the (nonlinear) Euler equations and linear acoustic equations in time-domain simulations. In this manner, the CBCs are investigated and subsequently compared to assess their respective accuracy and consistency. The CBCs were implemented using both a single-point and a zonal approach, with the former optionally combined with a sponge layer. Both approaches yielded comparable results in direct and adjoint simulations, while the zonal CBC exhibited improved ac- curacy at lower frequencies. Across the evaluated frequency range of approximately 350 - 5600 Hz, spurious reflections were attenuated by up to -70dB in both forward and adjoint cases, demon- strating the effectiveness and consistency of the proposed boundary treatment.}, language = {en} } @misc{LindnerMehlBartoszuketal.2025, author = {Lindner, Niels and Mehl, Lukas and Bartoszuk, Karolina and Berendes, Sarah and Zittel, Janina}, title = {Demand Uncertainty in Energy Systems: Scenario Catalogs vs. Integrated Robust Optimization}, issn = {1438-0064}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-102404}, year = {2025}, abstract = {Designing efficient energy systems is indispensable for shaping a more sustainable society. This involves making infrastructure investment decisions that must be valid for a long-term time horizon. While energy system optimization models constitute a powerful technique to support planning decisions, they need to cope with inherent uncertainty. For example, predicting future demand on a scale of decades is not only an intricate challenge in itself, but small fluctuations in such a forecast might also largely impact the layout of a complex energy system. In this paper, we compare two methodologies of capturing demand uncertainty for linear-programming based energy system optimization models. On one hand, we generate and analyze catalogs of varying demand scenarios, where each individual scenario is considered independently, so that the optimization produces scenario-specific investment pathways. On the other hand, we make use of robust linear programming to meet the demand of all scenarios at once. Since including a multitude of scenarios increases the size and complexity of the optimization model, we will show how to use warm-starting approaches to accelerate the computation process, by exploiting the similar structure of the linear program across different demand inputs. This allows to integrate a meaningful number of demand scenarios with fully-fledged energy system models. We demonstrate the practical use of our methods in a case study of the Berlin-Brandenburg area in Germany, a region that contains both a metropolitan area and its rural surroundings. As a backbone, we use the open-source framework oemof to create a sector-coupled optimization model for planning an energy system with up to 100\% reduction of greenhouse gas emissions. This model features a fine-grained temporal resolution of one hour for the full year 2050. We consider uncertainty in demand for electricity, hydrogen, natural gas, central, and decentral heat. Based on our computations, we analyze the trade-offs in terms of quality and computation time for scenario catalogs and the robust optimization approach. We further demonstrate that our procedure provides a valuable strategy for decision makers to gain insight on the robustness and sensitivity of solutions regarding demand variability.}, 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} } @misc{WeiserHubigShanmugamSubramaniam2025, author = {Weiser, Martin and Hubig, Michael and Shanmugam Subramaniam, Jayant}, title = {Reconstructing Ambient Temperature Changes in Death Time Estimation with a Bayesian Double-Exponential Approach}, journal = {Zenodo}, doi = {10.5281/zenodo.17702240}, year = {2025}, abstract = {Code and data for the reconstruction of ambient temperature drop in time of death estimation We provide Octave code and temperature measurement data for - empirircally estimating thermal sensor likelihood - estimating time and amplitude of a single sudden ambient temperature drop from temperature measurement data in two thermally different compartments.}, language = {en} } @article{KempkeRehfeldtKoch2025, author = {Kempke, Nils-Christian and Rehfeldt, Daniel and Koch, Thorsten}, title = {A Massively Parallel Interior-Point-Method for Arrowhead Linear Programs}, journal = {SIAM Journal on Scientific Computing}, arxiv = {http://arxiv.org/abs/2412.07731}, year = {2025}, language = {en} } @article{Navayazdani2026, author = {Navayazdani, Esfandiar}, title = {Ridge Regression on Riemannian Manifolds for Time-Series Prediction}, journal = {Information Geometry}, arxiv = {http://arxiv.org/abs/2411.18339}, year = {2026}, language = {en} } @article{SenguptaBartoli2025, author = {Sengupta, Agniva and Bartoli, Adrien}, title = {Convex Solutions to SfT and NRSfM under Algebraic Deformation Models}, journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence}, doi = {10.1109/TPAMI.2025.3635039}, year = {2025}, abstract = {We present nonlinear formulations to Shape-from-Template (SfT) and Non-Rigid Structure-from-Motion (NRSfM) faithfully exploiting the isometric, conformal and equiareal deformation models. Existing work uses relaxations such as inextensibility or requires knowing the optic flow field around the correspondences, an impractical assumption. In contrast, the proposed formulations only require point correspondences and resolve all ambiguities using the notions of maximal depth and maximal isometry heuristics. We propose solution methods using Semi-Definite Programming (SDP) for all formulations. We show that straightforward SDP models conflict with the usual maximal depth heuristic and propose an adapted opposite-depth parameterisation demonstrating a lesser relaxation gap. Experimental results on many real-world benchmark datasets demonstrate superior accuracy over existing methods.}, language = {en} } @article{ClauseckerLemireSchintke2025, author = {Clausecker, Robert and Lemire, Daniel and Schintke, Florian}, title = {Faster Positional-Population Counts for AVX2, AVX-512, and ASIMD}, volume = {37}, journal = {Concurrency and Computation: Practice and Experience}, number = {27-28}, publisher = {Wiley}, issn = {1532-0626}, doi = {10.1002/cpe.70435}, year = {2025}, language = {en} } @article{BiernackaCastroFritzschetal.2025, author = {Biernacka, Katarzyna and Castro, Leyla Jael and Fritzsch, Bernadette and Grossmann, Yves Vincent and Reidelbach, Marco and Struck, Alexander and Lanza, Giacomo and Walter, David and Ulusoy, Inga}, title = {From Vision to Implementation: Current Practices and Challenges of Software Management Plans in Research}, journal = {2nd Conference on Research Data Infrastructure (CoRDI)}, doi = {10.5281/zenodo.16735302}, year = {2025}, language = {en} } @article{FischerGerberKopruckietal.2025, author = {Fischer, Kristina and Gerber, Anja and Koprucki, Thomas and Noback, Andres and Reidelbach, Marco and Schrade, Torsten and Thiery, Florian}, title = {Windows on Data: Federating Research Data with FAIR Digital Objects and Linked Open Data}, journal = {2nd Conference on Research Data Infrastructure (CoRDI)}, doi = {10.5281/zenodo.16736222}, year = {2025}, language = {en} } @article{MarcoMarcus2025, author = {Marco, Reidelbach and Marcus, Weber}, title = {From Documentation to Discovery - MaRDMO and the MaRDI Ecosystem}, journal = {2nd Conference on Research Data Infrastructure (CoRDI)}, doi = {10.5281/zenodo.16735889}, year = {2025}, language = {en} } @article{SchemberaWuebbelingShehuetal.2025, author = {Schembera, Bj{\"o}rn and W{\"u}bbeling, Frank and Shehu, Aurela and Biedinger, Christine and Fiedler, Jochen and Reidelbach, Marco and Schmidt, Burkhard and Ferrer, Eloi and Koprucki, Thomas}, title = {FAIR Representation of Mathematical Research Data: MathModDB and MathAlgoDB as Knowledge Graphs for Mathematical Models and Numerical Algorithms}, journal = {2nd Conference on Research Data Infrastructure (CoRDI)}, doi = {10.5281/zenodo.16735911}, year = {2025}, language = {en} } @article{Marco2025, author = {Marco, Reidelbach}, title = {MaRDMO: Future Gateway to FAIR Mathematical Data}, journal = {E-Science-Tage 2025: Research Data Management: Challenges in a Changing World}, doi = {10.11588/heibooks.1652.c23913}, pages = {40 -- 53}, year = {2025}, abstract = {Mathematical research data plays a crucial role across scientific disciplines, yet its documentation and dissemination remain challenging due to the lack of standardized research data management practices. The MaRDMO Plugin addresses these challenges by integrating mathematical models, algorithms, and interdisciplinary workflows into the established framework of the Research Data Management Organiser (RDMO). Built on FAIR principles, MaRDMO enables structured documentation and retrieval of mathematical research data through guided questionnaires. It connects to multiple knowledge graphs, including MathModDB, MathAlgoDB, and the MaRDI Portal. Users can document and search for models, algorithms, and workflows via dynamic selection interfaces that also leverage other sources such as Wikidata. The plugin facilitates the export to the individual MaRDI services, ensuring data quality through automated validation. By embedding mathematical research data management into the widely adopted RDMO platform, MaRDMO represents a significant step toward making mathematical research data more findable, accessible, and reusable.}, language = {en} } @inproceedings{SchemberaWuebbelingKleikampetal.2025, author = {Schembera, Bj{\"o}rn and W{\"u}bbeling, Frank and Kleikamp, Hendrik and Schmidt, Burkhard and Shehu, Aurela and Reidelbach, Marco and Biedinger, Christine and Fiedler, Jochen and Koprucki, Thomas and Iglezakis, Dorothea and G{\"o}ddeke, Dominik}, title = {Towards a Knowledge Graph for Models and Algorithms in Applied Mathematics}, volume = {2331}, booktitle = {Metadata and Semantic Research. MTSR 2024}, publisher = {Springer Nature Switzerland}, address = {Cham}, isbn = {9783031819735}, issn = {1865-0929}, doi = {10.1007/978-3-031-81974-2_8}, pages = {95 -- 109}, year = {2025}, abstract = {Mathematical models and algorithms are an essential part of mathematical research data, as they are epistemically grounding numerical data. To make this research data FAIR, we present how two previously distinct ontologies, MathAlgoDB for algorithms and MathModDB for models, were merged and extended into a living knowledge graph as the key outcome. This was achieved by connecting the ontologies through computational tasks that correspond to algorithmic tasks. Moreover, we show how models and algorithms can be enriched with subject-specific metadata, such as matrix symmetry or model linearity, essential for defining workflows and determining suitable algorithms. Additionally, we propose controlled vocabularies to be added, along with a new class that differentiates base quantities from specific use case quantities. We illustrate the capabilities of the developed knowledge graph using two detailed examples from different application areas of applied mathematics, having already integrated over 250 research assets into the knowledge graph.}, language = {en} } @article{SekulicSchaibleMuelleretal.2025, author = {Sekulic, Ivan and Schaible, Jonas and M{\"u}ller, Gabriel and Plock, Matthias and Burger, Sven and Mart{\´i}nez-Lahuerta, V{\´i}ctor Jos{\´e} and Gaaloul, Naceur and Schneider, Philipp-Immanuel}, title = {Physics-informed Bayesian optimization of expensive-to-evaluate black-box functions}, volume = {6}, journal = {Mach. Learn. Sci. Technol.}, publisher = {IOP Publishing}, doi = {10.1088/2632-2153/ae1f5f}, pages = {040503}, year = {2025}, abstract = {Abstract Bayesian optimization with Gaussian process surrogates is a popular approach for optimizing expensive-to-evaluate functions in terms of time, energy, or computational resources. Typically, a Gaussian process models a scalar objective derived from observed data. However, in many real-world applications, the objective is a combination of multiple outputs from physical experiments or simulations. Converting these multidimensional observations into a single scalar can lead to information loss, slowing convergence and yielding suboptimal results. To address this, we propose to use multi-output Gaussian processes to learn the full vector of observations directly, before mapping them to the scalar objective via an inexpensive analytical function. This physics-informed approach retains more information from the underlying physical processes, improving surrogate model accuracy. As a result, the approach accelerates optimization and produces better final designs compared to standard implementations.}, language = {en} } @inproceedings{SchummelTeichmannGonnermannMueller2025, author = {Schummel, Philip and Teichmann, Malte and Gonnermann-M{\"u}ller, Jana}, title = {Specifying ten roles of using chatgpt in secondary education: a teacher´s perspective}, booktitle = {Proceedings of the European Conference on Information Systems}, year = {2025}, abstract = {ChatGPT can benefit education; however, challenges arise that demand competent and responsible usage. Competence development needs to start in schools, with the teacher being the gatekeeper for integrating it into the teaching process. Existing research suggests that schoolteachers lack specific guidance on integrating ChatGPT into teaching, as current discussions remain high-level and omit specific use cases throughout the entire teaching process. To guide an informed usage, this paper presents the results of a systematic literature review, analyzing 38 selected papers on investigating ChatGPT in schools. This selection is based on rigorously defined criteria, adhering to the PRISMA guidelines, initially screening 1075 papers. The central value of this paper is to aggregate research into ten roles for secondary teachers on using ChatGPT in schools, presenting corresponding use cases throughout the teaching process. Future research validates the ten roles, conducting interviews with teachers to present an exhaustive framework for integrating ChatGPT in schoolteacher practice.}, language = {en} } @inproceedings{KeraPelleritiIshiharaetal.2025, author = {Kera, Hiroshi and Pelleriti, Nico and Ishihara, Yuki and Zimmer, Max and Pokutta, Sebastian}, title = {Computational Algebra with Attention: Transformer Oracles for Border Basis Algorithms}, booktitle = {Proceedings of the Conference on Neural Information Processing Systems}, year = {2025}, language = {en} } @inproceedings{GonnermannMuellerSahlingHaase2025, author = {Gonnermann-M{\"u}ller, Jana and Sahling, Kristina and Haase, Jennifer}, title = {Let's Be Realistic: AI-Recommender Use in a Complex Management Setting}, booktitle = {CHI EA '25: Proceedings of the Extended Abstracts of the CHI Conference on Human Factors in Computing Systems}, doi = {10.1145/3706599.3720131}, year = {2025}, language = {en} } @article{LeinsGonnermannMuellerTeichmann2024, author = {Leins, Nicolas and Gonnermann-M{\"u}ller, Jana and Teichmann, Malte}, title = {Comparing head-mounted and handheld augmented reality for guided assembly}, journal = {Journal on Multimodal User Interfaces}, year = {2024}, language = {en} } @article{GonnermannMuellerKrueger2024, author = {Gonnermann-M{\"u}ller, Jana and Kr{\"u}ger, Jule M.}, title = {Unlocking Augmented Reality Learning Design Based on Evidence From Empirical Cognitive Load Studies—A Systematic Literature Review}, journal = {Journal of Computer Assisted Learning}, year = {2024}, language = {en} }