Coordinated Projects

This thesis aims to analyze techniques for improving the fault detection capabilities of large cyber-physical systems. The Low-Level Radio Frequency (LLRF) control system of the European X-ray Free Electron Laser (XFEL) is the main target system. [...]

Drug discovery and design challenges, such as drug repurposing, analyzing protein–ligand and protein–protein complexes, ligand promiscuity studies, or function prediction, can be addressed by protein binding site similarity analysis. Although numerous tools exist, they all have individual strengths and drawbacks with regard to run time, provision of structure superpositions, and applicability to diverse application domains. [...]

Das Hands-on Lab diente neben der Vorstellung des Projekts auch dem gemeinsamen Informations- und Ideenaustausch mit der Community. In fünf Kleingruppen bearbeiteten die Anwesenden folgende Fragestellungen und Themen [...]

We present an approach for solving optimal boundary control problems of nonlinear optics by using deep learning. For computing high resolution approximations of the solution to the nonlinear wave model, we propose higher order space-time finite element methods in combination with collocation techniques. [...]

A Metropolis-Hastings step is widely used for gradient-based Markov chain Monte Carlo methods in uncertainty quantification. By calculating acceptance probabilities on batches, a stochastic Metropolis-Hastings step saves computational costs, but reduces the effective sample size. [...]

Bei der Erfassung von Publikationen richtet sich der Blick bislang auf bibliographische, technische und organisatorische Metadaten. Diese werden von gängigen Datenbanken weitestgehend erfasst und zum Austausch stehen standardisierte Austauschformate zur Verfügung.Durch den Prozess der Open-Access-Transformation stellt sich zusätzlich die Frage, wie Kosten zukünftig sich auf Forschungseinrichtungen verteilen. [...]

We present a new nonlinear variational framework for simultaneously computing ground and excited states of quantum systems. Our approach is based on approximating wavefunctions in the linear span of basis functions that are augmented and optimized \emph{via} composition with normalizing flows. [...]

Complex particle reconstruction software used by High Energy Physics experiments already pushes the edges of computing resources with demanding requirements for speed and memory throughput, but the future experiments pose an even greater challenge. Although many supercomputers have already reached petascale capacities using many-core architectures and accelerators, numerous scientific applications still need to be adapted to make use of these new resources. [...]