Fast Selection of Spectral Variables with B-Spline Compression

The large number of spectral variables in most data sets encountered in spectral chemometrics often renders the prediction of a dependent variable uneasy. The number of variables hopefully can be reduced, by using either projection techniques or selection methods; the latter allow for the interpretation of the selected variables. Since the optimal approach of testing all possible subsets of variables with the prediction model is intractable, an incremental selection approach using a nonparametric statistics is a good option, as it avoids the computationally intensive use of the model itself. It has two drawbacks however: the number of groups of variables to test is still huge, and colinearities can make the results unstable. To overcome these limitations, this paper presents a method to select groups of spectral variables. It consists in a forward-backward procedure applied to the coefficients of a B-Spline representation of the spectra. The criterion used in the forward-backward procedure is the mutual information, allowing to find nonlinear dependencies between variables, on the contrary of the generally used correlation. The spline representation is used to get interpretability of the results, as groups of consecutive spectral variables will be selected. The experiments conducted on NIR spectra from fescue grass and diesel fuels show that the method provides clearly identified groups of selected variables, making interpretation easy, while keeping a low computational load. The prediction performances obtained using the selected coefficients are higher than those obtained by the same method applied directly to the original variables and similar to those obtained using traditional models, although using significantly less spectral variables

Robust Feature Selection by Mutual Information Distributions

Mutual information is widely used in artificial intelligence, in a descriptive way, to measure the stochastic dependence of discrete random variables. In order to address questions such as the reliability of the empirical value, one must consider sample-to-population inferential approaches. This paper deals with the distribution of mutual information, as obtained in a Bayesian framework by a second-order Dirichlet prior distribution. The exact analytical expression for the mean and an analytical approximation of the variance are reported. Asymptotic approximations of the distribution are proposed. The results are applied to the problem of selecting features for incremental learning and classification of the naive Bayes classifier. A fast, newly defined method is shown to outperform the traditional approach based on empirical mutual information on a number of real data sets. Finally, a theoretical development is reported that allows one to efficiently extend the above methods to incomplete samples in an easy and effective way.Comment: 8 two-column page

Distribution of Mutual Information from Complete and Incomplete Data

Mutual information is widely used, in a descriptive way, to measure the stochastic dependence of categorical random variables. In order to address questions such as the reliability of the descriptive value, one must consider sample-to-population inferential approaches. This paper deals with the posterior distribution of mutual information, as obtained in a Bayesian framework by a second-order Dirichlet prior distribution. The exact analytical expression for the mean, and analytical approximations for the variance, skewness and kurtosis are derived. These approximations have a guaranteed accuracy level of the order O(1/n^3), where n is the sample size. Leading order approximations for the mean and the variance are derived in the case of incomplete samples. The derived analytical expressions allow the distribution of mutual information to be approximated reliably and quickly. In fact, the derived expressions can be computed with the same order of complexity needed for descriptive mutual information. This makes the distribution of mutual information become a concrete alternative to descriptive mutual information in many applications which would benefit from moving to the inductive side. Some of these prospective applications are discussed, and one of them, namely feature selection, is shown to perform significantly better when inductive mutual information is used.Comment: 26 pages, LaTeX, 5 figures, 4 table

Algorithms for Approximate Minimization of the Difference Between Submodular Functions, with Applications

We extend the work of Narasimhan and Bilmes [30] for minimizing set functions representable as a difference between submodular functions. Similar to [30], our new algorithms are guaranteed to monotonically reduce the objective function at every step. We empirically and theoretically show that the per-iteration cost of our algorithms is much less than [30], and our algorithms can be used to efficiently minimize a difference between submodular functions under various combinatorial constraints, a problem not previously addressed. We provide computational bounds and a hardness result on the mul- tiplicative inapproximability of minimizing the difference between submodular functions. We show, however, that it is possible to give worst-case additive bounds by providing a polynomial time computable lower-bound on the minima. Finally we show how a number of machine learning problems can be modeled as minimizing the difference between submodular functions. We experimentally show the validity of our algorithms by testing them on the problem of feature selection with submodular cost features.Comment: 17 pages, 8 figures. A shorter version of this appeared in Proc. Uncertainty in Artificial Intelligence (UAI), Catalina Islands, 201