Feature selection and nearest centroid classification for protein mass spectrometry

BACKGROUND: The use of mass spectrometry as a proteomics tool is poised to revolutionize early disease diagnosis and biomarker identification. Unfortunately, before standard supervised classification algorithms can be employed, the "curse of dimensionality" needs to be solved. Due to the sheer amount of information contained within the mass spectra, most standard machine learning techniques cannot be directly applied. Instead, feature selection techniques are used to first reduce the dimensionality of the input space and thus enable the subsequent use of classification algorithms. This paper examines feature selection techniques for proteomic mass spectrometry. RESULTS: This study examines the performance of the nearest centroid classifier coupled with the following feature selection algorithms. Student-t test, Kolmogorov-Smirnov test, and the P-test are univariate statistics used for filter-based feature ranking. From the wrapper approaches we tested sequential forward selection and a modified version of sequential backward selection. Embedded approaches included shrunken nearest centroid and a novel version of boosting based feature selection we developed. In addition, we tested several dimensionality reduction approaches, namely principal component analysis and principal component analysis coupled with linear discriminant analysis. To fairly assess each algorithm, evaluation was done using stratified cross validation with an internal leave-one-out cross-validation loop for automated feature selection. Comprehensive experiments, conducted on five popular cancer data sets, revealed that the less advocated sequential forward selection and boosted feature selection algorithms produce the most consistent results across all data sets. In contrast, the state-of-the-art performance reported on isolated data sets for several of the studied algorithms, does not hold across all data sets. CONCLUSION: This study tested a number of popular feature selection methods using the nearest centroid classifier and found that several reportedly state-of-the-art algorithms in fact perform rather poorly when tested via stratified cross-validation. The revealed inconsistencies provide clear evidence that algorithm evaluation should be performed on several data sets using a consistent (i.e., non-randomized, stratified) cross-validation procedure in order for the conclusions to be statistically sound

Decision Stream: Cultivating Deep Decision Trees

Various modifications of decision trees have been extensively used during the past years due to their high efficiency and interpretability. Tree node splitting based on relevant feature selection is a key step of decision tree learning, at the same time being their major shortcoming: the recursive nodes partitioning leads to geometric reduction of data quantity in the leaf nodes, which causes an excessive model complexity and data overfitting. In this paper, we present a novel architecture - a Decision Stream, - aimed to overcome this problem. Instead of building a tree structure during the learning process, we propose merging nodes from different branches based on their similarity that is estimated with two-sample test statistics, which leads to generation of a deep directed acyclic graph of decision rules that can consist of hundreds of levels. To evaluate the proposed solution, we test it on several common machine learning problems - credit scoring, twitter sentiment analysis, aircraft flight control, MNIST and CIFAR image classification, synthetic data classification and regression. Our experimental results reveal that the proposed approach significantly outperforms the standard decision tree learning methods on both regression and classification tasks, yielding a prediction error decrease up to 35%

Spatial Random Sampling: A Structure-Preserving Data Sketching Tool

Random column sampling is not guaranteed to yield data sketches that preserve the underlying structures of the data and may not sample sufficiently from less-populated data clusters. Also, adaptive sampling can often provide accurate low rank approximations, yet may fall short of producing descriptive data sketches, especially when the cluster centers are linearly dependent. Motivated by that, this paper introduces a novel randomized column sampling tool dubbed Spatial Random Sampling (SRS), in which data points are sampled based on their proximity to randomly sampled points on the unit sphere. The most compelling feature of SRS is that the corresponding probability of sampling from a given data cluster is proportional to the surface area the cluster occupies on the unit sphere, independently from the size of the cluster population. Although it is fully randomized, SRS is shown to provide descriptive and balanced data representations. The proposed idea addresses a pressing need in data science and holds potential to inspire many novel approaches for analysis of big data

Superpixel-based Two-view Deterministic Fitting for Multiple-structure Data

This paper proposes a two-view deterministic geometric model fitting method, termed Superpixel-based Deterministic Fitting (SDF), for multiple-structure data. SDF starts from superpixel segmentation, which effectively captures prior information of feature appearances. The feature appearances are beneficial to reduce the computational complexity for deterministic fitting methods. SDF also includes two original elements, i.e., a deterministic sampling algorithm and a novel model selection algorithm. The two algorithms are tightly coupled to boost the performance of SDF in both speed and accuracy. Specifically, the proposed sampling algorithm leverages the grouping cues of superpixels to generate reliable and consistent hypotheses. The proposed model selection algorithm further makes use of desirable properties of the generated hypotheses, to improve the conventional fit-and-remove framework for more efficient and effective performance. The key characteristic of SDF is that it can efficiently and deterministically estimate the parameters of model instances in multi-structure data. Experimental results demonstrate that the proposed SDF shows superiority over several state-of-the-art fitting methods for real images with single-structure and multiple-structure data.Comment: Accepted by European Conference on Computer Vision (ECCV