@inproceedings{8752, abstract = {{In this article we develop a gradient-based algorithm for the solution of multiobjective optimization problems with uncertainties. To this end, an additional condition is derived for the descent direction in order to account for inaccuracies in the gradients and then incorporated into a subdivision algorithm for the computation of global solutions to multiobjective optimization problems. Convergence to a superset of the Pareto set is proved and an upper bound for the maximal distance to the set of substationary points is given. Besides the applicability to problems with uncertainties, the algorithm is developed with the intention to use it in combination with model order reduction techniques in order to efficiently solve PDE-constrained multiobjective optimization problems.}}, author = {{Peitz, Sebastian and Dellnitz, Michael}}, booktitle = {{NEO 2016}}, isbn = {{9783319640624}}, issn = {{1860-949X}}, pages = {{159--182}}, title = {{{Gradient-Based Multiobjective Optimization with Uncertainties}}}, doi = {{10.1007/978-3-319-64063-1_7}}, year = {{2017}}, } @article{6552, author = {{Bause, Fabian and Claes, Leander and Webersen, Manuel and Johannesmann, Sarah and Henning, Bernd}}, issn = {{0171-8096}}, journal = {{tm - Technisches Messen}}, number = {{3}}, title = {{{Viskoelastizität und Anisotropie von Kunststoffen: Ultraschallbasierte Methoden zur Materialparameterbestimmung}}}, doi = {{10.1515/teme-2016-0056}}, volume = {{84}}, year = {{2017}}, } @inproceedings{6575, author = {{Bause, Fabian and Claes, Leander and Webersen, Manuel and Henning, Bernd}}, booktitle = {{PROCEEDINGS -- AMA Conferences 2017}}, isbn = {{978-3-9816876-4-4}}, pages = {{414}}, title = {{{Ultrasonic measurements in the characterization of viscoelasticity and aging of polymers}}}, doi = {{10.5162/sensor2017/C8.1}}, year = {{2017}}, } @misc{6591, author = {{Claes, Leander and Feldmann, Nadine and Henning, Bernd}}, title = {{{Spektrale Verfahren zur Bestimmung der akustischen Absorption in fluiden Medien}}}, year = {{2017}}, } @article{68, abstract = {{Proof-carrying hardware (PCH) is a principle for achieving safety for dynamically reconfigurable hardware systems. The producer of a hardware module spends huge effort when creating a proof for a safety policy. The proof is then transferred as a certificate together with the configuration bitstream to the consumer of the hardware module, who can quickly verify the given proof. Previous work utilized SAT solvers and resolution traces to set up a PCH technology and corresponding tool flows. In this article, we present a novel technology for PCH based on inductive invariants. For sequential circuits, our approach is fundamentally stronger than the previous SAT-based one since we avoid the limitations of bounded unrolling. We contrast our technology to existing ones and show that it fits into previously proposed tool flows. We conduct experiments with four categories of benchmark circuits and report consumer and producer runtime and peak memory consumption, as well as the size of the certificates and the distribution of the workload between producer and consumer. Experiments clearly show that our new induction-based technology is superior for sequential circuits, whereas the previous SAT-based technology is the better choice for combinational circuits.}}, author = {{Isenberg, Tobias and Platzner, Marco and Wehrheim, Heike and Wiersema, Tobias}}, journal = {{ACM Transactions on Design Automation of Electronic Systems}}, number = {{4}}, pages = {{61:1----61:23}}, publisher = {{ACM}}, title = {{{Proof-Carrying Hardware via Inductive Invariants}}}, doi = {{10.1145/3054743}}, year = {{2017}}, } @phdthesis{10594, abstract = {{Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. Since – in contrast to the solution of a single objective optimization problem – the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging. This is even more the case when many problems have to be solved, when the number of objectives is high, or when the objectives are costly to evaluate. Consequently, this thesis is devoted to the identification and exploitation of structure both in the Pareto set and the dynamics of the underlying model as well as to the development of efficient algorithms for solving problems with additional parameters, with a high number of objectives or with PDE-constraints. These three challenges are addressed in three respective parts. In the first part, predictor-corrector methods are extended to entire Pareto sets. When certain smoothness assumptions are satisfied, then the set of parameter dependent Pareto sets possesses additional structure, i.e. it is a manifold. The tangent space can be approximated numerically which yields a direction for the predictor step. In the corrector step, the predicted set converges to the Pareto set at a new parameter value. The resulting algorithm is applied to an example from autonomous driving. In the second part, the hierarchical structure of Pareto sets is investigated. When considering a subset of the objectives, the resulting solution is a subset of the Pareto set of the original problem. Under additional smoothness assumptions, the respective subsets are located on the boundary of the Pareto set of the full problem. This way, the “skeleton” of a Pareto set can be computed and due to the exponential increase in computing time with the number of objectives, the computations of these subsets are significantly faster which is demonstrated using an example from industrial laundries. In the third part, PDE-constrained multiobjective optimal control problems are addressed by reduced order modeling methods. Reduced order models exploit the structure in the system dynamics, for example by describing the dynamics of only the most energetic modes. The model reduction introduces an error in both the function values and their gradients, which has to be taken into account in the development of algorithms. Both scalarization and set-oriented approaches are coupled with reduced order modeling. Convergence results are presented and the numerical benefit is investigated. The algorithms are applied to semi-linear heat flow problems as well as to the Navier-Stokes equations. }}, author = {{Peitz, Sebastian}}, title = {{{ Exploiting structure in multiobjective optimization and optimal control}}}, doi = {{10.17619/UNIPB/1-176}}, year = {{2017}}, } @inproceedings{11809, abstract = {{This paper presents an end-to-end training approach for a beamformer-supported multi-channel ASR system. A neural network which estimates masks for a statistically optimum beamformer is jointly trained with a network for acoustic modeling. To update its parameters, we propagate the gradients from the acoustic model all the way through feature extraction and the complex valued beamforming operation. Besides avoiding a mismatch between the front-end and the back-end, this approach also eliminates the need for stereo data, i.e., the parallel availability of clean and noisy versions of the signals. Instead, it can be trained with real noisy multichannel data only. Also, relying on the signal statistics for beamforming, the approach makes no assumptions on the configuration of the microphone array. We further observe a performance gain through joint training in terms of word error rate in an evaluation of the system on the CHiME 4 dataset.}}, author = {{Heymann, Jahn and Drude, Lukas and Boeddeker, Christoph and Hanebrink, Patrick and Haeb-Umbach, Reinhold}}, booktitle = {{Proc. IEEE Intl. Conf. on Acoustics, Speech and Signal Processing (ICASSP)}}, title = {{{BEAMNET: End-to-End Training of a Beamformer-Supported Multi-Channel ASR System}}}, year = {{2017}}, } @article{15941, author = {{Reuter, Corin and Sauerland, Kim-Henning and Tröster, Thomas}}, issn = {{0263-8223}}, journal = {{Composite Structures}}, pages = {{33--44}}, title = {{{Experimental and numerical crushing analysis of circular CFRP tubes under axial impact loading}}}, doi = {{10.1016/j.compstruct.2017.04.052}}, year = {{2017}}, } @article{15942, author = {{Reuter, Corin and Tröster, Thomas}}, issn = {{0263-8231}}, journal = {{Thin-Walled Structures}}, pages = {{1--9}}, title = {{{Crashworthiness and numerical simulation of hybrid aluminium-CFRP tubes under axial impact}}}, doi = {{10.1016/j.tws.2017.03.034}}, volume = {{117}}, year = {{2017}}, } @article{15944, author = {{Striewe, Jan André and Reuter, Corin and Sauerland, Kim-Henning and Tröster, Thomas}}, issn = {{0263-8231}}, journal = {{Thin-Walled Structures}}, pages = {{501--508}}, title = {{{Manufacturing and crashworthiness of fabric-reinforced thermoplastic composites}}}, doi = {{10.1016/j.tws.2017.11.011}}, year = {{2017}}, } @phdthesis{16332, author = {{Stührenberg, Kai}}, title = {{{Phenanthroline-basierte Kupferkomplexe für Wasserspaltungsanwendungen}}}, doi = {{10.17619/UNIPB/1-253}}, year = {{2017}}, } @inproceedings{13156, abstract = {{Liner carriers change their network on a regular basis, and they are therefore interested in a practical evaluation of the impact these changes have on the cargo flows in their networks. Despite great advancements in the practical applicability of network evaluators in recent years, vessel deployment continues to be considered as an input into the problem, rather than a decision. In this paper, we propose an extension of a state-of-the-art mixed integer programming model for the LSCAP that incorporates the optimization of vessel count and vessel classes for each service. We perform a computational analysis on liner shipping networks of different sizes and compare our optimized results to fixed deployment scenarios. By integrating fleet deployment decisions into the cargo allocation problem, liner carriers can increase the profitability of their networks by at least 2.8 to 16.9{\%} and greatly enhance their decision making.}}, author = {{Müller, Daniel and Guericke, Stefan and Tierney, Kevin}}, booktitle = {{Computational Logistics}}, editor = {{Bektac, Tolga and Coniglio, Stefano and Martinez-Sykora, Antonio and Voß, Stefan}}, isbn = {{978-3-319-68496-3}}, pages = {{306--320}}, publisher = {{Springer International Publishing}}, title = {{{Integrating Fleet Deployment into the Liner Shipping Cargo Allocation Problem}}}, year = {{2017}}, } @inproceedings{13157, author = {{Ansotegui, Carlos and Pon, Josep and Sellmann, Meinolf and Tierney, Kevin}}, booktitle = {{AAAI}}, pages = {{765--772}}, title = {{{Reactive Dialectic Search Portfolios for MaxSAT.}}}, year = {{2017}}, } @article{13187, abstract = {{Abstract The reaction of Cu(I) bisguanidine complexes with nitric oxide and the formation of intermediate species were monitored via UV-vis spectroscopy at low temperature, with the occurrence of characteristic absorption bands. The origin of the emerging species and their character were substantiated by electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) studies showing a delocalized {CuNO}11 radical species. Furthermore, this system was transferred to the SuperFocus mixer setup, which allows rapid mixing and the determination of decay constants at ambient temperatures of the thermally sensitive species. However, these experiments demonstrated the limits of these systems, such as the NO saturation in organic solvents and a preferably precise temperature control within the SuperFocus mixer, which should be addressed in the future.}}, author = {{Oppermann, Alexander and Laurini, Larissa and Etscheidt, Fabian and Hollmann, Katharina and Strassl, Florian and Hoffmann, Alexander and Schurr, Daniela and Dittmeyer, Roland and Rinke, Günter and Herres-Pawlis, Sonja}}, journal = {{Chemical Engineering \& Technology}}, keywords = {{Copper guanidine complexes, Nitric oxide, SuperFocus mixer}}, number = {{8}}, pages = {{1475--1483}}, title = {{{Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer}}}, doi = {{10.1002/ceat.201600691}}, volume = {{40}}, year = {{2017}}, } @article{13200, author = {{Gruzberg, Ilya and Klümper, Andreas and Nuding, Win and Sedrakyan, Ara}}, journal = {{Phys. Rev. B}}, pages = {{125414}}, publisher = {{American Physical Society}}, title = {{{Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions}}}, doi = {{10.1103/PhysRevB.95.125414}}, volume = {{95}}, year = {{2017}}, } @article{13238, abstract = {{A numerically efficient yet highly accurate implementation of the crystal orbital Hamilton population (COHP) scheme for plane-wave calculations is presented. It is based on the projector-augmented wave (PAW) formalism in combination with norm-conserving pseudopotentials and allows to extract chemical interactions between atoms from band-structure calculations even for large and complex systems. The potential of the present COHP implementation is demonstrated by an in-depth analysis of the intensively investigated metal-insulator transition in atomic-scale indium wires self-assembled on the Si(111) surface. Thereby bond formation between In atoms of adjacent zigzag chains is found to be instrumental for the phase change. © 2017 Wiley Periodicals, Inc.}}, author = {{Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf G.}}, journal = {{Journal of Computational Chemistry}}, keywords = {{density functional theory, bonding, crystal orbital Hamilton population, indium nanowires, phase transition}}, number = {{26}}, pages = {{2276--2282}}, title = {{{Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition}}}, doi = {{10.1002/jcc.24878}}, volume = {{38}}, year = {{2017}}, } @article{13239, author = {{Azadi, Sam and Kühne, Thomas D.}}, journal = {{The Journal of Chemical Physics}}, number = {{8}}, pages = {{084503}}, title = {{{High-pressure hydrogen sulfide by diffusion quantum Monte Carlo}}}, doi = {{10.1063/1.4976836}}, volume = {{146}}, year = {{2017}}, } @article{13242, abstract = {{Initial state-selected reaction probabilities for the H+CH4→H2+CH3 reaction on a recently developed potential energy surface which employs neutral network fitting based on permutational invariant polynomials are reported. The quantum dynamics calculations use the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and study the reaction process in full-dimensionality for vanishing total angular momentum. A detailed comparison with previous results obtained on other high-level potential energy surfaces is given. The connection between the level of quantum state resolution and the sensitivity of the results on differences in the potential energy surfaces is highlighted. Employing a decomposition of the total reactivity into contributions of the different vibrational states of the activated complex, it is found that differences between the potential energy surfaces are mainly related to the umbrella motion of the methyl group.}}, author = {{Ellerbrock, Roman and Manthe, Uwe}}, issn = {{0301-0104}}, journal = {{Chemical Physics}}, pages = {{106 -- 112}}, title = {{{H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces}}}, doi = {{https://doi.org/10.1016/j.chemphys.2016.08.032}}, volume = {{482}}, year = {{2017}}, } @article{13276, author = {{Rutkai, Gábor and Köster, Andreas and Guevara-Carrion, Gabriela and Janzen, Tatjana and Schappals, Michael and Glass, Colin W. and Bernreuther, Martin and Wafai, Amer and Stephan, Simon and Kohns, Maximilian and Reiser, Steffen and Deublein, Stephan and Horsch, Martin and Hasse, Hans and Vrabec, Jadran}}, issn = {{0010-4655}}, journal = {{Computer Physics Communications}}, pages = {{343--351}}, title = {{{ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0}}}, doi = {{10.1016/j.cpc.2017.07.025}}, volume = {{221}}, year = {{2017}}, } @article{13277, author = {{Köster, Andreas and Mausbach, Peter and Vrabec, Jadran}}, journal = {{The Journal of Chemical Physics}}, number = {{14}}, pages = {{144502}}, title = {{{Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential}}}, doi = {{10.1063/1.4990667}}, volume = {{147}}, year = {{2017}}, }