Bayesian separation of spectral sources under non-negativity and full additivity constraints

This paper addresses the problem of separating spectral sources which are linearly mixed with unknown proportions. The main difficulty of the problem is to ensure the full additivity (sum-to-one) of the mixing coefficients and non-negativity of sources and mixing coefficients. A Bayesian estimation approach based on Gamma priors was recently proposed to handle the non-negativity constraints in a linear mixture model. However, incorporating the full additivity constraint requires further developments. This paper studies a new hierarchical Bayesian model appropriate to the non-negativity and sum-to-one constraints associated to the regressors and regression coefficients of linear mixtures. The estimation of the unknown parameters of this model is performed using samples generated using an appropriate Gibbs sampler. The performance of the proposed algorithm is evaluated through simulation results conducted on synthetic mixture models. The proposed approach is also applied to the processing of multicomponent chemical mixtures resulting from Raman spectroscopy.Comment: v4: minor grammatical changes; Signal Processing, 200

An Extension of Generalized Linear Models to Finite Mixture Outcome Distributions

Finite mixture distributions arise in sampling a heterogeneous population. Data drawn from such a population will exhibit extra variability relative to any single subpopulation. Statistical models based on finite mixtures can assist in the analysis of categorical and count outcomes when standard generalized linear models (GLMs) cannot adequately account for variability observed in the data. We propose an extension of GLM where the response is assumed to follow a finite mixture distribution, while the regression of interest is linked to the mixture's mean. This approach may be preferred over a finite mixture of regressions when the population mean is the quantity of interest; here, only a single regression function must be specified and interpreted in the analysis. A technical challenge is that the mean of a finite mixture is a composite parameter which does not appear explicitly in the density. The proposed model is completely likelihood-based and maintains the link to the regression through a certain random effects structure. We consider typical GLM cases where means are either real-valued, constrained to be positive, or constrained to be on the unit interval. The resulting model is applied to two example datasets through a Bayesian analysis: one with success/failure outcomes and one with count outcomes. Supporting the extra variation is seen to improve residual plots and to appropriately widen prediction intervals

Hyper-Spectral Image Analysis with Partially-Latent Regression and Spatial Markov Dependencies

Hyper-spectral data can be analyzed to recover physical properties at large planetary scales. This involves resolving inverse problems which can be addressed within machine learning, with the advantage that, once a relationship between physical parameters and spectra has been established in a data-driven fashion, the learned relationship can be used to estimate physical parameters for new hyper-spectral observations. Within this framework, we propose a spatially-constrained and partially-latent regression method which maps high-dimensional inputs (hyper-spectral images) onto low-dimensional responses (physical parameters such as the local chemical composition of the soil). The proposed regression model comprises two key features. Firstly, it combines a Gaussian mixture of locally-linear mappings (GLLiM) with a partially-latent response model. While the former makes high-dimensional regression tractable, the latter enables to deal with physical parameters that cannot be observed or, more generally, with data contaminated by experimental artifacts that cannot be explained with noise models. Secondly, spatial constraints are introduced in the model through a Markov random field (MRF) prior which provides a spatial structure to the Gaussian-mixture hidden variables. Experiments conducted on a database composed of remotely sensed observations collected from the Mars planet by the Mars Express orbiter demonstrate the effectiveness of the proposed model.Comment: 12 pages, 4 figures, 3 table

Nonlinear Models Using Dirichlet Process Mixtures

We introduce a new nonlinear model for classification, in which we model the joint distribution of response variable, y, and covariates, x, non-parametrically using Dirichlet process mixtures. We keep the relationship between y and x linear within each component of the mixture. The overall relationship becomes nonlinear if the mixture contains more than one component. We use simulated data to compare the performance of this new approach to a simple multinomial logit (MNL) model, an MNL model with quadratic terms, and a decision tree model. We also evaluate our approach on a protein fold classification problem, and find that our model provides substantial improvement over previous methods, which were based on Neural Networks (NN) and Support Vector Machines (SVM). Folding classes of protein have a hierarchical structure. We extend our method to classification problems where a class hierarchy is available. We find that using the prior information regarding the hierarchical structure of protein folds can result in higher predictive accuracy

Robust EM algorithm for model-based curve clustering

Model-based clustering approaches concern the paradigm of exploratory data analysis relying on the finite mixture model to automatically find a latent structure governing observed data. They are one of the most popular and successful approaches in cluster analysis. The mixture density estimation is generally performed by maximizing the observed-data log-likelihood by using the expectation-maximization (EM) algorithm. However, it is well-known that the EM algorithm initialization is crucial. In addition, the standard EM algorithm requires the number of clusters to be known a priori. Some solutions have been provided in [31, 12] for model-based clustering with Gaussian mixture models for multivariate data. In this paper we focus on model-based curve clustering approaches, when the data are curves rather than vectorial data, based on regression mixtures. We propose a new robust EM algorithm for clustering curves. We extend the model-based clustering approach presented in [31] for Gaussian mixture models, to the case of curve clustering by regression mixtures, including polynomial regression mixtures as well as spline or B-spline regressions mixtures. Our approach both handles the problem of initialization and the one of choosing the optimal number of clusters as the EM learning proceeds, rather than in a two-fold scheme. This is achieved by optimizing a penalized log-likelihood criterion. A simulation study confirms the potential benefit of the proposed algorithm in terms of robustness regarding initialization and funding the actual number of clusters.Comment: In Proceedings of the 2013 International Joint Conference on Neural Networks (IJCNN), 2013, Dallas, TX, US

Hyperspectral Unmixing Overview: Geometrical, Statistical, and Sparse Regression-Based Approaches

Imaging spectrometers measure electromagnetic energy scattered in their instantaneous field view in hundreds or thousands of spectral channels with higher spectral resolution than multispectral cameras. Imaging spectrometers are therefore often referred to as hyperspectral cameras (HSCs). Higher spectral resolution enables material identification via spectroscopic analysis, which facilitates countless applications that require identifying materials in scenarios unsuitable for classical spectroscopic analysis. Due to low spatial resolution of HSCs, microscopic material mixing, and multiple scattering, spectra measured by HSCs are mixtures of spectra of materials in a scene. Thus, accurate estimation requires unmixing. Pixels are assumed to be mixtures of a few materials, called endmembers. Unmixing involves estimating all or some of: the number of endmembers, their spectral signatures, and their abundances at each pixel. Unmixing is a challenging, ill-posed inverse problem because of model inaccuracies, observation noise, environmental conditions, endmember variability, and data set size. Researchers have devised and investigated many models searching for robust, stable, tractable, and accurate unmixing algorithms. This paper presents an overview of unmixing methods from the time of Keshava and Mustard's unmixing tutorial [1] to the present. Mixing models are first discussed. Signal-subspace, geometrical, statistical, sparsity-based, and spatial-contextual unmixing algorithms are described. Mathematical problems and potential solutions are described. Algorithm characteristics are illustrated experimentally.Comment: This work has been accepted for publication in IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensin