Bayesian estimation of linear mixtures using the normal compositional model. Application to hyperspectral imagery

This paper studies a new Bayesian unmixing algorithm for hyperspectral images. Each pixel of the image is modeled as a linear combination of so-called endmembers. These endmembers are supposed to be random in order to model uncertainties regarding their knowledge. More precisely, we model endmembers as Gaussian vectors whose means have been determined using an endmember extraction algorithm such as the famous N-finder (N-FINDR) or Vertex Component Analysis (VCA) algorithms. This paper proposes to estimate the mixture coefficients (referred to as abundances) using a Bayesian algorithm. Suitable priors are assigned to the abundances in order to satisfy positivity and additivity constraints whereas conjugate priors are chosen for the remaining parameters. A hybrid Gibbs sampler is then constructed to generate abundance and variance samples distributed according to the joint posterior of the abundances and noise variances. The performance of the proposed methodology is evaluated by comparison with other unmixing algorithms on synthetic and real images

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

Combining Neuro-Fuzzy Classifiers for Improved Generalisation and Reliability

In this paper a combination of neuro-fuzzy classifiers for improved classification performance and reliability is considered. A general fuzzy min-max (GFMM) classifier with agglomerative learning algorithm is used as a main building block. An alternative approach to combining individual classifier decisions involving the combination at the classifier model level is proposed. The resulting classifier complexity and transparency is comparable with classifiers generated during a single crossvalidation procedure while the improved classification performance and reduced variance is comparable to the ensemble of classifiers with combined (averaged/voted) decisions. We also illustrate how combining at the model level can be used for speeding up the training of GFMM classifiers for large data sets

How good is the generalized Langevin equation to describe the dynamics of photo-induced electron transfer in fluid solution?

The dynamics of unimolecular photo-triggered reactions can be strongly affected by the surrounding medium. An accurate description of these reactions requires knowing the free energy surface (FES) and the friction felt by the reactants. Most of theories start from the Langevin equation to derive the dynamics, but there are few examples comparing it with experiments. Here we explore the applicability of a Generalized Langevin Equation (GLE) with an arbitrary potential and a non-markovian friction. To this end we have performed broadband fluorescence measurements with sub-picosecond time resolution of a covalently linked organic electron donor-acceptor system in solvents of changing viscosity and dielectric permittivity. In order to establish the FES of the reaction we resort to stationary electronic spectroscopy. On the other hand, the dynamics of a non-reacting substance, Coumarin 153, provide the calibrating tool for the friction over the FES, which is assumed to be solute independent. A simpler and computationally faster approach uses the Generalized Smoluchowski Equation (GSE), which can be derived from the GLE for pure harmonic potentials. Both approaches reproduce the measurements in most of the solvents reasonably well. At long times, some differences arise from the errors inherited from the analysis of the stationary solvatochromism and at short times from the excess excitation energy. However, whenever the dynamics become slow the GSE shows larger deviations than the GLE, the results of which always agree qualitatively with the measured dynamics, regardless of the solvent viscosity or dielectric properties. The here applied method can be used to predict the dynamics of any other reacting system, given the FES parameters and solvent dynamics are provided. Thus no fitting parameters enter the GLE simulations, within the applicability limits found for the model in this work.Comment: 30 pages, 22 figures, 5 tables, 97 reference

Deep clustering: Discriminative embeddings for segmentation and separation

We address the problem of acoustic source separation in a deep learning framework we call "deep clustering." Rather than directly estimating signals or masking functions, we train a deep network to produce spectrogram embeddings that are discriminative for partition labels given in training data. Previous deep network approaches provide great advantages in terms of learning power and speed, but previously it has been unclear how to use them to separate signals in a class-independent way. In contrast, spectral clustering approaches are flexible with respect to the classes and number of items to be segmented, but it has been unclear how to leverage the learning power and speed of deep networks. To obtain the best of both worlds, we use an objective function that to train embeddings that yield a low-rank approximation to an ideal pairwise affinity matrix, in a class-independent way. This avoids the high cost of spectral factorization and instead produces compact clusters that are amenable to simple clustering methods. The segmentations are therefore implicitly encoded in the embeddings, and can be "decoded" by clustering. Preliminary experiments show that the proposed method can separate speech: when trained on spectrogram features containing mixtures of two speakers, and tested on mixtures of a held-out set of speakers, it can infer masking functions that improve signal quality by around 6dB. We show that the model can generalize to three-speaker mixtures despite training only on two-speaker mixtures. The framework can be used without class labels, and therefore has the potential to be trained on a diverse set of sound types, and to generalize to novel sources. We hope that future work will lead to segmentation of arbitrary sounds, with extensions to microphone array methods as well as image segmentation and other domains.Comment: Originally submitted on June 5, 201

Mixtures of Regression Models for Time-Course Gene Expression Data: Evaluation of Initialization and Random Effects

Finite mixture models are routinely applied to time course microarray data. Due to the complexity and size of this type of data the choice of good starting values plays an important role. So far initialization strategies have only been investigated for data from a mixture of multivariate normal distributions. In this work several initialization procedures are evaluated for mixtures of regression models with and without random effects in an extensive simulation study on different artificial datasets. Finally these procedures are also applied to a real dataset from E. coli

Variational Bayesian Inference of Line Spectra

In this paper, we address the fundamental problem of line spectral estimation in a Bayesian framework. We target model order and parameter estimation via variational inference in a probabilistic model in which the frequencies are continuous-valued, i.e., not restricted to a grid; and the coefficients are governed by a Bernoulli-Gaussian prior model turning model order selection into binary sequence detection. Unlike earlier works which retain only point estimates of the frequencies, we undertake a more complete Bayesian treatment by estimating the posterior probability density functions (pdfs) of the frequencies and computing expectations over them. Thus, we additionally capture and operate with the uncertainty of the frequency estimates. Aiming to maximize the model evidence, variational optimization provides analytic approximations of the posterior pdfs and also gives estimates of the additional parameters. We propose an accurate representation of the pdfs of the frequencies by mixtures of von Mises pdfs, which yields closed-form expectations. We define the algorithm VALSE in which the estimates of the pdfs and parameters are iteratively updated. VALSE is a gridless, convergent method, does not require parameter tuning, can easily include prior knowledge about the frequencies and provides approximate posterior pdfs based on which the uncertainty in line spectral estimation can be quantified. Simulation results show that accounting for the uncertainty of frequency estimates, rather than computing just point estimates, significantly improves the performance. The performance of VALSE is superior to that of state-of-the-art methods and closely approaches the Cram\'er-Rao bound computed for the true model order.Comment: 15 pages, 8 figures, accepted for publication in IEEE Transactions on Signal Processin