Independent components in spectroscopic analysis of complex mixtures

We applied two methods of "blind" spectral decomposition (MILCA and SNICA) to quantitative and qualitative analysis of UV absorption spectra of several non-trivial mixture types. Both methods use the concept of statistical independence and aim at the reconstruction of minimally dependent components from a linear mixture. We examined mixtures of major ecotoxicants (aromatic and polyaromatic hydrocarbons), amino acids and complex mixtures of vitamins in a veterinary drug. Both MICLA and SNICA were able to recover concentrations and individual spectra with minimal errors comparable with instrumental noise. In most cases their performance was similar to or better than that of other chemometric methods such as MCR-ALS, SIMPLISMA, RADICAL, JADE and FastICA. These results suggest that the ICA methods used in this study are suitable for real life applications. Data used in this paper along with simple matlab codes to reproduce paper figures can be found at http://www.klab.caltech.edu/~kraskov/MILCA/spectraComment: 22 pages, 4 tables, 6 figure

Understanding Slow Feature Analysis: A Mathematical Framework

Slow feature analysis is an algorithm for unsupervised learning of invariant representations from data with temporal correlations. Here, we present a mathematical analysis of slow feature analysis for the case where the input-output functions are not restricted in complexity. We show that the optimal functions obey a partial differential eigenvalue problem of a type that is common in theoretical physics. This analogy allows the transfer of mathematical techniques and intuitions from physics to concrete applications of slow feature analysis, thereby providing the means for analytical predictions and a better understanding of simulation results. We put particular emphasis on the situation where the input data are generated from a set of statistically independent sources.\ud The dependence of the optimal functions on the sources is calculated analytically for the cases where the sources have Gaussian or uniform distribution

An Extension of Slow Feature Analysis for Nonlinear Blind Source Separation

We present and test an extension of slow feature analysis as a novel approach to nonlinear blind source separation. The algorithm relies on temporal correlations and iteratively reconstructs a set of statistically independent sources from arbitrary nonlinear instantaneous mixtures. Simulations show that it is able to invert a complicated nonlinear mixture of two audio signals with a reliability of more than $90$\%. The algorithm is based on a mathematical analysis of slow feature analysis for the case of input data that are generated from statistically independent sources

Symmetric tensor decomposition

We present an algorithm for decomposing a symmetric tensor, of dimension n and order d as a sum of rank-1 symmetric tensors, extending the algorithm of Sylvester devised in 1886 for binary forms. We recall the correspondence between the decomposition of a homogeneous polynomial in n variables of total degree d as a sum of powers of linear forms (Waring's problem), incidence properties on secant varieties of the Veronese Variety and the representation of linear forms as a linear combination of evaluations at distinct points. Then we reformulate Sylvester's approach from the dual point of view. Exploiting this duality, we propose necessary and sufficient conditions for the existence of such a decomposition of a given rank, using the properties of Hankel (and quasi-Hankel) matrices, derived from multivariate polynomials and normal form computations. This leads to the resolution of polynomial equations of small degree in non-generic cases. We propose a new algorithm for symmetric tensor decomposition, based on this characterization and on linear algebra computations with these Hankel matrices. The impact of this contribution is two-fold. First it permits an efficient computation of the decomposition of any tensor of sub-generic rank, as opposed to widely used iterative algorithms with unproved global convergence (e.g. Alternate Least Squares or gradient descents). Second, it gives tools for understanding uniqueness conditions, and for detecting the rank

Information Theoretical Estimators Toolbox

We present ITE (information theoretical estimators) a free and open source, multi-platform, Matlab/Octave toolbox that is capable of estimating many different variants of entropy, mutual information, divergence, association measures, cross quantities, and kernels on distributions. Thanks to its highly modular design, ITE supports additionally (i) the combinations of the estimation techniques, (ii) the easy construction and embedding of novel information theoretical estimators, and (iii) their immediate application in information theoretical optimization problems. ITE also includes a prototype application in a central problem class of signal processing, independent subspace analysis and its extensions.Comment: 5 pages; ITE toolbox: https://bitbucket.org/szzoli/ite