NFFT meets Krylov methods: Fast matrix-vector products for the graph Laplacian of fully connected networks

The graph Laplacian is a standard tool in data science, machine learning, and image processing. The corresponding matrix inherits the complex structure of the underlying network and is in certain applications densely populated. This makes computations, in particular matrix-vector products, with the graph Laplacian a hard task. A typical application is the computation of a number of its eigenvalues and eigenvectors. Standard methods become infeasible as the number of nodes in the graph is too large. We propose the use of the fast summation based on the nonequispaced fast Fourier transform (NFFT) to perform the dense matrix-vector product with the graph Laplacian fast without ever forming the whole matrix. The enormous flexibility of the NFFT algorithm allows us to embed the accelerated multiplication into Lanczos-based eigenvalues routines or iterative linear system solvers and even consider other than the standard Gaussian kernels. We illustrate the feasibility of our approach on a number of test problems from image segmentation to semi-supervised learning based on graph-based PDEs. In particular, we compare our approach with the Nystr\"om method. Moreover, we present and test an enhanced, hybrid version of the Nystr\"om method, which internally uses the NFFT.Comment: 28 pages, 9 figure

Power-to-Syngas: A Parareal Optimal Control Approach

A chemical plant layout for the production of syngas from renewable power, H2O and biogas, is presented to ensure a steady productivity of syngas with a constant H2-to-CO ratio under time-dependent electricity provision. An electrolyzer supplies H2 to the reverse water-gas shift reactor. The system compensates for a drop in electricity supply by gradually operating a tri-reforming reactor, fed with pure O2 directly from the electrolyzer or from an intermediate generic buffering device. After the introduction of modeling assumptions and governing equations, suitable reactor parameters are identified. Finally, two optimal control problems are investigated, where computationally expensive model evaluations are lifted viaparareal and necessary objective derivatives are calculated via the continuous adjoint method. For the first time, modeling, simulation, and optimal control are applied to a combination of the reverse water-gas shift and tri-reforming reactor, exploring a promising pathway in the conversion of renewable power into chemicals

Suspicion of respiratory tract infection with multidrug-resistant Enterobacteriaceae: epidemiology and risk factors from a Paediatric Intensive Care Unit

Enterobacteriaceae distribution. Distribution of Enterobacteriaceae isolates (n = 167) in lower respiratory tract material, MDR (n = 51) vs susceptible (n = 116) organisms during the study period. (XLSX 14 kb