Manifold interpolation and model reduction

One approach to parametric and adaptive model reduction is via the interpolation of orthogonal bases, subspaces or positive definite system matrices. In all these cases, the sampled inputs stem from matrix sets that feature a geometric structure and thus form so-called matrix manifolds. This work will be featured as a chapter in the upcoming Handbook on Model Order Reduction (P. Benner, S. Grivet-Talocia, A. Quarteroni, G. Rozza, W.H.A. Schilders, L.M. Silveira, eds, to appear on DE GRUYTER) and reviews the numerical treatment of the most important matrix manifolds that arise in the context of model reduction. Moreover, the principal approaches to data interpolation and Taylor-like extrapolation on matrix manifolds are outlined and complemented by algorithms in pseudo-code.Comment: 37 pages, 4 figures, featured chapter of upcoming "Handbook on Model Order Reduction

Recent advances in directional statistics

Mainstream statistical methodology is generally applicable to data observed in Euclidean space. There are, however, numerous contexts of considerable scientific interest in which the natural supports for the data under consideration are Riemannian manifolds like the unit circle, torus, sphere and their extensions. Typically, such data can be represented using one or more directions, and directional statistics is the branch of statistics that deals with their analysis. In this paper we provide a review of the many recent developments in the field since the publication of Mardia and Jupp (1999), still the most comprehensive text on directional statistics. Many of those developments have been stimulated by interesting applications in fields as diverse as astronomy, medicine, genetics, neurology, aeronautics, acoustics, image analysis, text mining, environmetrics, and machine learning. We begin by considering developments for the exploratory analysis of directional data before progressing to distributional models, general approaches to inference, hypothesis testing, regression, nonparametric curve estimation, methods for dimension reduction, classification and clustering, and the modelling of time series, spatial and spatio-temporal data. An overview of currently available software for analysing directional data is also provided, and potential future developments discussed.Comment: 61 page

Principal Component Analysis for Functional Data on Riemannian Manifolds and Spheres

Functional data analysis on nonlinear manifolds has drawn recent interest. Sphere-valued functional data, which are encountered for example as movement trajectories on the surface of the earth, are an important special case. We consider an intrinsic principal component analysis for smooth Riemannian manifold-valued functional data and study its asymptotic properties. Riemannian functional principal component analysis (RFPCA) is carried out by first mapping the manifold-valued data through Riemannian logarithm maps to tangent spaces around the time-varying Fr\'echet mean function, and then performing a classical multivariate functional principal component analysis on the linear tangent spaces. Representations of the Riemannian manifold-valued functions and the eigenfunctions on the original manifold are then obtained with exponential maps. The tangent-space approximation through functional principal component analysis is shown to be well-behaved in terms of controlling the residual variation if the Riemannian manifold has nonnegative curvature. Specifically, we derive a central limit theorem for the mean function, as well as root-$n$ uniform convergence rates for other model components, including the covariance function, eigenfunctions, and functional principal component scores. Our applications include a novel framework for the analysis of longitudinal compositional data, achieved by mapping longitudinal compositional data to trajectories on the sphere, illustrated with longitudinal fruit fly behavior patterns. RFPCA is shown to be superior in terms of trajectory recovery in comparison to an unrestricted functional principal component analysis in applications and simulations and is also found to produce principal component scores that are better predictors for classification compared to traditional functional functional principal component scores

Local Kernels and the Geometric Structure of Data

We introduce a theory of local kernels, which generalize the kernels used in the standard diffusion maps construction of nonparametric modeling. We prove that evaluating a local kernel on a data set gives a discrete representation of the generator of a continuous Markov process, which converges in the limit of large data. We explicitly connect the drift and diffusion coefficients of the process to the moments of the kernel. Moreover, when the kernel is symmetric, the generator is the Laplace-Beltrami operator with respect to a geometry which is influenced by the embedding geometry and the properties of the kernel. In particular, this allows us to generate any Riemannian geometry by an appropriate choice of local kernel. In this way, we continue a program of Belkin, Niyogi, Coifman and others to reinterpret the current diverse collection of kernel-based data analysis methods and place them in a geometric framework. We show how to use this framework to design local kernels invariant to various features of data. These data-driven local kernels can be used to construct conformally invariant embeddings and reconstruct global diffeomorphisms

Comparison and classification of flexible distributions for multivariate skew and heavy-tailed data

We present, compare and classify popular families of flexible multivariate distributions. Our classification is based on the type of symmetry (spherical, elliptical, central symmetry or asymmetry) and the tail behaviour (a single tail weight parameter or multiple tail weight parameters). We compare the families both theoretically (relevant properties and distinctive features) and with a Monte Carlo study (comparing the fitting abilities in finite samples)

System- and Data-Driven Methods and Algorithms

An increasing complexity of models used to predict real-world systems leads to the need for algorithms to replace complex models with far simpler ones, while preserving the accuracy of the predictions. This two-volume handbook covers methods as well as applications. This first volume focuses on real-time control theory, data assimilation, real-time visualization, high-dimensional state spaces and interaction of different reduction techniques

Aspects of Stochastic Geometric Mechanics in Molecular Biophysics

In confocal single-molecule FRET experiments, the joint distribution of FRET efficiency and donor lifetime distribution can reveal underlying molecular conformational dynamics via deviation from their theoretical Forster relationship. This shift is referred to as a dynamic shift. In this study, we investigate the influence of the free energy landscape in protein conformational dynamics on the dynamic shift by simulation of the associated continuum reaction coordinate Langevin dynamics, yielding a deeper understanding of the dynamic and structural information in the joint FRET efficiency and donor lifetime distribution. We develop novel Langevin models for the dye linker dynamics, including rotational dynamics, based on first physics principles and proper dye linker chemistry to match accessible volumes predicted by molecular dynamics simulations. By simulating the dyes\u27 stochastic translational and rotational dynamics, we show that the observed dynamic shift can largely be attributed to the mutual orientational dynamics of the electric dipole moments associated with the dyes and not their accessible volumes. Furthermore, using nonlinear semi-group convergence methods based on viscosity solutions to associated Hamilton-Jacobi equations developed by Feng and Kurtz and methods of verifying the comparison principle for viscosity solutions introduced by Versendaal et al., we prove a large deviations principle for dynamical systems on Riemannian manifolds perturbed by vanishing Markov noise. Further, using the correspondence between the aforementioned nonlinear semigroup and stochastic control theory, we find explicit representations of the rate function in several cases via a Legendre - Fenchel transform of a corresponding Hamiltonian functional. This provides a generalization of classical Friedlin-Wentzell theory to the case of degenerate general Markov perturbations on complete Riemannian manifolds