Approximation algorithm for the kinetic robust K-center problem

AbstractTwo complications frequently arise in real-world applications, motion and the contamination of data by outliers. We consider a fundamental clustering problem, the k-center problem, within the context of these two issues. We are given a finite point set S of size n and an integer k. In the standard k-center problem, the objective is to compute a set of k center points to minimize the maximum distance from any point of S to its closest center, or equivalently, the smallest radius such that S can be covered by k disks of this radius. In the discrete k-center problem the disk centers are drawn from the points of S, and in the absolute k-center problem the disk centers are unrestricted.We generalize this problem in two ways. First, we assume that points are in continuous motion, and the objective is to maintain a solution over time. Second, we assume that some given robustness parameter 0<t⩽1 is given, and the objective is to compute the smallest radius such that there exist k disks of this radius that cover at least ⌈tn⌉ points of S. We present a kinetic data structure (in the KDS framework) that maintains a (3+ε)-approximation for the robust discrete k-center problem and a (4+ε)-approximation for the robust absolute k-center problem, both under the assumption that k is a constant. We also improve on a previous 8-approximation for the non-robust discrete kinetic k-center problem, for arbitrary k, and show that our data structure achieves a (4+ε)-approximation. All these results hold in any metric space of constant doubling dimension, which includes Euclidean space of constant dimension

Measuring Blood Glucose Concentrations in Photometric Glucometers Requiring Very Small Sample Volumes

Glucometers present an important self-monitoring tool for diabetes patients and therefore must exhibit high accu- racy as well as good usability features. Based on an invasive, photometric measurement principle that drastically reduces the volume of the blood sample needed from the patient, we present a framework that is capable of dealing with small blood samples, while maintaining the required accuracy. The framework consists of two major parts: 1) image segmentation; and 2) convergence detection. Step 1) is based on iterative mode-seeking methods to estimate the intensity value of the region of interest. We present several variations of these methods and give theoretical proofs of their convergence. Our approach is able to deal with changes in the number and position of clusters without any prior knowledge. Furthermore, we propose a method based on sparse approximation to decrease the computational load, while maintaining accuracy. Step 2) is achieved by employing temporal tracking and prediction, herewith decreasing the measurement time, and, thus, improving usability. Our framework is validated on several real data sets with different characteristics. We show that we are able to estimate the underlying glucose concentration from much smaller blood samples than is currently state-of-the- art with sufficient accuracy according to the most recent ISO standards and reduce measurement time significantly compared to state-of-the-art methods

Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing iterative techniques for solving the Kohn-Sham systems cannot be efficiently applied to solve the DKS systems. The key component of our method is a novel filtering step (F) which acts as a preconditioner in the framework of the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The resulting method, dubbed the LOBPCG-F method, is able to compute the desired eigenvalues and eigenvectors in the positive energy band without computing any state in the negative energy band. The LOBPCG-F method introduces mild extra cost compared to the standard LOBPCG method and can be easily implemented. We demonstrate our method in the pseudopotential framework with a planewave basis set which naturally satisfies the kinetic balance prescription. Numerical results for Pt$_{2}$, Au$_{2}$, TlF, and Bi$_{2}$Se$_{3}$ indicate that the LOBPCG-F method is a robust and efficient method for investigating the relativistic effect in systems containing heavy elements.Comment: 31 pages, 5 figure

Topological Stability of Kinetic kk-Centers

We study the $k$-center problem in a kinetic setting: given a set of continuously moving points $P$ in the plane, determine a set of $k$ (moving) disks that cover $P$ at every time step, such that the disks are as small as possible at any point in time. Whereas the optimal solution over time may exhibit discontinuous changes, many practical applications require the solution to be stable: the disks must move smoothly over time. Existing results on this problem require the disks to move with a bounded speed, but this model is very hard to work with. Hence, the results are limited and offer little theoretical insight. Instead, we study the topological stability of $k$-centers. Topological stability was recently introduced and simply requires the solution to change continuously, but may do so arbitrarily fast. We prove upper and lower bounds on the ratio between the radii of an optimal but unstable solution and the radii of a topologically stable solution---the topological stability ratio---considering various metrics and various optimization criteria. For $k = 2$ we provide tight bounds, and for small $k > 2$ we can obtain nontrivial lower and upper bounds. Finally, we provide an algorithm to compute the topological stability ratio in polynomial time for constant $k$

Using separable non-negative matrix factorization techniques for the analysis of time-resolved Raman spectra

The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the component spectra and the rate constants simultaneously from a series of vibrational spectra. It is based on an algorithm for non-negative matrix factorization which is applied to the experimental data set following a few pre-processing steps. As a prerequisite for physically unambiguous solutions, each component spectrum must include one vibrational band that does not significantly interfere with vibrational bands of other species. The approach is applied to synthetic "experimental" spectra derived from model systems comprising a set of species with component spectra differing with respect to their degree of spectral interferences and signal-to-noise ratios. In each case, the species involved are connected via monomolecular reaction pathways. The potential and limitations of the approach for recovering the respective rate constants and component spectra are discussed