TY - GEN A1 - Schneck, Jakob A1 - Weiser, Martin A1 - Wende, Florian T1 - Impact of mixed precision and storage layout on additive Schwarz smoothers N2 - The growing discrepancy between CPU computing power and memory bandwidth drives more and more numerical algorithms into a bandwidth- bound regime. One example is the overlapping Schwarz smoother, a highly effective building block for iterative multigrid solution of elliptic equations with higher order finite elements. Two options of reducing the required memory bandwidth are sparsity exploiting storage layouts and representing matrix entries with reduced precision in floating point or fixed point format. We investigate the impact of several options on storage demand and contraction rate, both analytically in the context of subspace correction methods and numerically at an example of solid mechanics. Both perspectives agree on the favourite scheme: fixed point representation of Cholesky factors in nested dissection storage. T3 - ZIB-Report - 18-62 KW - higher order finite elements KW - mixed precision KW - overlapping Schwarz smoother Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-71305 SN - 1438-0064 ER - TY - JOUR A1 - Binkowski, Felix A1 - Zschiedrich, Lin A1 - Burger, Sven T1 - A Riesz-projection-based method for nonlinear eigenvalue problems JF - J. Comput. Phys. Y1 - 2020 U6 - https://doi.org/10.1016/j.jcp.2020.109678 VL - 419 SP - 109678 ER - TY - GEN A1 - Oates, Chris A1 - Cockayne, Jon A1 - Prangle, Dennis A1 - Sullivan, T. J. A1 - Girolami, Mark ED - Hickernell, F. J. ED - Kritzer, P. T1 - Optimality criteria for probabilistic numerical methods T2 - Multivariate Algorithms and Information-Based Complexity N2 - It is well understood that Bayesian decision theory and average case analysis are essentially identical. However, if one is interested in performing uncertainty quantification for a numerical task, it can be argued that the decision-theoretic framework is neither appropriate nor sufficient. To this end, we consider an alternative optimality criterion from Bayesian experimental design and study its implied optimal information in the numerical context. This information is demonstrated to differ, in general, from the information that would be used in an average-case-optimal numerical method. The explicit connection to Bayesian experimental design suggests several distinct regimes in which optimal probabilistic numerical methods can be developed. Y1 - 2020 U6 - https://doi.org/10.1515/9783110635461-005 VL - 27 SP - 65 EP - 88 PB - De Gruyter ER - TY - JOUR A1 - Kersting, Hans A1 - Sullivan, T. J. A1 - Hennig, Philipp T1 - Convergence rates of Gaussian ODE filters JF - Statistics and Computing Y1 - 2020 U6 - https://doi.org/10.1007/s11222-020-09972-4 VL - 30 SP - 1791 EP - 1816 PB - Springer CY - Statistics and Computing ER - TY - JOUR A1 - Stoop, Ralph L. A1 - Straube, Arthur A1 - Johansen, Tom H. A1 - Tierno, Pietro T1 - Collective directional locking of colloidal monolayers on a periodic substrate JF - Phys. Rev. Lett. N2 - We investigate the directional locking effects that arise when a monolayer of paramagnetic colloidal particles is driven across a triangular lattice of magnetic bubbles. We use an external rotating magnetic field to generate a two-dimensional traveling wave ratchet forcing the transport of particles along a direction that intersects two crystallographic axes of the lattice. We find that, while single particles show no preferred direction, collective effects induce transversal current and directional locking at high density via a spontaneous symmetry breaking. The colloidal current may be polarized via an additional bias field that makes one transport direction energetically preferred. Y1 - 2020 U6 - https://doi.org/10.1103/PhysRevLett.124.058002 VL - 124 SP - 058002 ER - TY - JOUR A1 - Lie, Han Cheng A1 - Sullivan, T. J. A1 - Teckentrup, Aretha T1 - Error bounds for some approximate posterior measures in Bayesian inference JF - Numerical Mathematics and Advanced Applications ENUMATH 2019 Y1 - 2020 U6 - https://doi.org/10.1007/978-3-030-55874-1_26 SP - 275 EP - 283 PB - Springer ER - TY - JOUR A1 - Khorashad, Larousse Khosravi A1 - Besteiro, Lucas V. A1 - Correa-Duarte, Miguel A1 - Burger, Sven A1 - Wang, Zhiming M. A1 - Govorov, Alexander O. T1 - Hot electrons generated in chiral plasmonic nanocrystals as a mechanism for surface photochemistry and chiral growth JF - J. Am. Chem. Soc. Y1 - 2020 U6 - https://doi.org/10.1021/jacs.9b11124 VL - 142 SP - 4193 ER - TY - JOUR A1 - Werdehausen, Daniel A1 - Burger, Sven A1 - Staude, Isabelle A1 - Pertsch, Thomas A1 - Decker, Manuel T1 - General design formalism for highly efficient flat optics for broadband applications JF - Opt. Express Y1 - 2020 U6 - https://doi.org/10.1364/OE.386573 VL - 28 SP - 6452 ER - TY - JOUR A1 - Pflüger, Mika A1 - Kline, R. Joseph A1 - Fernández Herrero, Analia A1 - Hammerschmidt, Martin A1 - Soltwisch, Victor A1 - Krumrey, Michael T1 - Extracting dimensional parameters of gratings produced with self-aligned multiple patterning using grazing-incidence small-angle x-ray scattering JF - J. Micro Nanolithogr. MEMS MOEMS Y1 - 2020 U6 - https://doi.org/10.1117/1.JMM.19.1.014001 VL - 19 SP - 014001 ER - TY - JOUR A1 - Gutsche, Philipp A1 - Santiago, Xavier Garcia A1 - Schneider, Philipp-Immanuel A1 - McPeak, Kevin A1 - Nieto-Vesperinas, Manuel A1 - Burger, Sven T1 - Role of Geometric Shape in Chiral Optics JF - Symmetry Y1 - 2020 U6 - https://doi.org/10.3390/sym12010158 VL - 12 SP - 158 ER - TY - JOUR A1 - Klebanov, Ilja A1 - Sikorski, Alexander A1 - Schütte, Christof A1 - Röblitz, Susanna T1 - Objective priors in the empirical Bayes framework JF - Scandinavian Journal of Statistics N2 - When dealing with Bayesian inference the choice of the prior often remains a debatable question. Empirical Bayes methods offer a data-driven solution to this problem by estimating the prior itself from an ensemble of data. In the nonparametric case, the maximum likelihood estimate is known to overfit the data, an issue that is commonly tackled by regularization. However, the majority of regularizations are ad hoc choices which lack invariance under reparametrization of the model and result in inconsistent estimates for equivalent models. We introduce a nonparametric, transformation-invariant estimator for the prior distribution. Being defined in terms of the missing information similar to the reference prior, it can be seen as an extension of the latter to the data-driven setting. This implies a natural interpretation as a trade-off between choosing the least informative prior and incorporating the information provided by the data, a symbiosis between the objective and empirical Bayes methodologies. Y1 - 2021 U6 - https://doi.org/10.1111/sjos.12485 VL - 48 IS - 4 SP - 1212 EP - 1233 PB - Wiley Online Library ER - TY - JOUR A1 - Klebanov, Ilja A1 - Schuster, Ingmar A1 - Sullivan, T. J. T1 - A rigorous theory of conditional mean embeddings JF - SIAM Journal on Mathematics of Data Science Y1 - 2020 U6 - https://doi.org/10.1137/19M1305069 VL - 2 IS - 3 SP - 583 EP - 606 ER - TY - CHAP A1 - Kantner, Markus A1 - Höhne, Theresa A1 - Koprucki, Thomas A1 - Burger, Sven A1 - Wünsche, Hans-Jürgen A1 - Schmidt, Frank A1 - Mielke, Alexander A1 - Bandelow, Uwe ED - Kneissl, Michael ED - Knorr, Andreas ED - Reitzenstein, Stephan ED - Hoffmann, Axel T1 - Multi-dimensional modeling and simulation of semiconductor nanophotonic devices T2 - Semiconductor Nanophotonics Y1 - 2020 U6 - https://doi.org/10.1007/978-3-030-35656-9_7 VL - 194 SP - 241 EP - 283 PB - Springer CY - Cham ER - TY - JOUR A1 - Tillmann, Peter A1 - Jäger, Klaus A1 - Becker, Christiane T1 - Minimising levelised cost of electricity of bifacial solar panel arrays using Bayesian optimisation JF - Sustain. Energy Fuels Y1 - 2020 U6 - https://doi.org/10.1039/C9SE00750D VL - 4 SP - 254 ER - TY - JOUR A1 - Hammerschmidt, Martin A1 - Döpking, Sandra A1 - Burger, Sven A1 - Matera, Sebastian T1 - Field Heterogeneities and Their Impact on Photocatalysis: Combining Optical and Kinetic Monte Carlo Simulations on the Nanoscale JF - J. Phys. Chem. C Y1 - 2020 U6 - https://doi.org/10.1021/acs.jpcc.9b11469 VL - 124 SP - 3177 ER - TY - JOUR A1 - Möller, Jan A1 - Isbilir, Ali A1 - Sungkaworn, Titiwat A1 - Osberg, Brenda A1 - Karathanasis, Christos A1 - Sunkara, Vikram A1 - Grushevsky, Eugene O A1 - Bock, Andreas A1 - Annibale, Paolo A1 - Heilemann, Mike A1 - Schütte, Christof A1 - Lohse, Martin J. T1 - Single molecule mu-opioid receptor membrane-dynamics reveal agonist-specific dimer formation with super-resolved precision JF - Nature Chemical Biology Y1 - 2020 U6 - https://doi.org/10.1038/s41589-020-0566-1 VL - 16 SP - 946 EP - 954 ER - TY - JOUR A1 - Klus, Stefan A1 - Nüske, Feliks A1 - Peitz, Sebastian A1 - Niemann, Jan-Hendrik A1 - Clementi, Cecilia A1 - Schütte, Christof T1 - Data-driven approximation of the Koopman generator: Model reduction, system identification, and control JF - Physica D: Nonlinear Phenomena Y1 - 2020 U6 - https://doi.org/10.1016/j.physd.2020.132416 VL - 406 ER - TY - JOUR A1 - Manley, Phillip A1 - Walde, Sebastian A1 - Hagedorn, Sylvia A1 - Hammerschmidt, Martin A1 - Burger, Sven A1 - Becker, Christiane T1 - Nanopatterned Sapphire Substrates in Deep-UV LEDs: Is there an Optical Benefit? JF - Opt. Express Y1 - 2020 U6 - https://doi.org/10.1364/OE.379438 VL - 28 SP - 3619 ER - TY - BOOK A1 - Winkelmann, Stefanie A1 - Schütte, Christof T1 - Stochastic Dynamics in Computational Biology T3 - Frontiers in Applied Dynamical Systems: Reviews and Tutorials Y1 - 2020 SN - 978-3-030-62386-9 U6 - https://doi.org/10.1007/978-3-030-62387-6 VL - 8 PB - Springer International Publishing ER - TY - JOUR A1 - Omari, Mohamed A1 - Lange, Alexander A1 - Plöntzke, Julia A1 - Röblitz, Susanna T1 - Model-based exploration of the impact of glucose metabolism on the estrous cycle dynamics in dairy cows JF - Biology Direct Y1 - 2019 U6 - https://doi.org/10.1186/s13062-019-0256-7 VL - 15 ER - TY - JOUR A1 - Becker, Fabian A1 - Djurdjevac Conrad, Natasa A1 - Eser, Raphael A. A1 - Helfmann, Luzie A1 - Schütt, Brigitta A1 - Schütte, Christof A1 - Zonker, Johannes T1 - The Furnace and the Goat—A spatio-temporal model of the fuelwood requirement for iron metallurgy on Elba Island, 4th century BCE to 2nd century CE JF - PLOS ONE Y1 - 2020 UR - https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0241133 U6 - https://doi.org/10.1371/journal.pone.0241133 VL - 15 SP - 1 EP - 37 PB - Public Library of Science ER - TY - JOUR A1 - Götschel, Sebastian A1 - Schiela, Anton A1 - Weiser, Martin T1 - Kaskade 7 - a Flexible Finite Element Toolbox JF - Computers and Mathematics with Applications N2 - Kaskade 7 is a finite element toolbox for the solution of stationary or transient systems of partial differential equations, aimed at supporting application-oriented research in numerical analysis and scientific computing. The library is written in C++ and is based on the \textsc{Dune} interface. The code is independent of spatial dimension and works with different grid managers. An important feature is the mix-and-match approach to discretizing systems of PDEs with different ansatz and test spaces for all variables. We describe the mathematical concepts behind the library as well as its structure, illustrating its use at several examples on the way. Y1 - 2021 U6 - https://doi.org/10.1016/j.camwa.2020.02.011 VL - 81 SP - 444 EP - 458 ER -