Multi-class protein fold classification using a new ensemble machine learning approach.

Protein structure classification represents an important process in understanding the associations between sequence and structure as well as possible functional and evolutionary relationships. Recent structural genomics initiatives and other high-throughput experiments have populated the biological databases at a rapid pace. The amount of structural data has made traditional methods such as manual inspection of the protein structure become impossible. Machine learning has been widely applied to bioinformatics and has gained a lot of success in this research area. This work proposes a novel ensemble machine learning method that improves the coverage of the classifiers under the multi-class imbalanced sample sets by integrating knowledge induced from different base classifiers, and we illustrate this idea in classifying multi-class SCOP protein fold data. We have compared our approach with PART and show that our method improves the sensitivity of the classifier in protein fold classification. Furthermore, we have extended this method to learning over multiple data types, preserving the independence of their corresponding data sources, and show that our new approach performs at least as well as the traditional technique over a single joined data source. These experimental results are encouraging, and can be applied to other bioinformatics problems similarly characterised by multi-class imbalanced data sets held in multiple data sources

A simple plug-in bagging ensemble based on threshold-moving for classifying binary and multiclass imbalanced data

Class imbalance presents a major hurdle in the application of classification methods. A commonly taken approach is to learn ensembles of classifiers using rebalanced data. Examples include bootstrap averaging (bagging) combined with either undersampling or oversampling of the minority class examples. However, rebalancing methods entail asymmetric changes to the examples of different classes, which in turn can introduce their own biases. Furthermore, these methods often require specifying the performance measure of interest a priori, i.e., before learning. An alternative is to employ the threshold moving technique, which applies a threshold to the continuous output of a model, offering the possibility to adapt to a performance measure a posteriori, i.e., a plug-in method. Surprisingly, little attention has been paid to this combination of a bagging ensemble and threshold-moving. In this paper, we study this combination and demonstrate its competitiveness. Contrary to the other resampling methods, we preserve the natural class distribution of the data resulting in well-calibrated posterior probabilities. Additionally, we extend the proposed method to handle multiclass data. We validated our method on binary and multiclass benchmark data sets by using both, decision trees and neural networks as base classifiers. We perform analyses that provide insights into the proposed method. Keywords: Imbalanced data; Binary classification; Multiclass classification; Bagging ensembles; Resampling; Posterior calibrationBurroughs Wellcome Fund (Grant 103811AI

Class imbalance ensemble learning based on the margin theory

The proportion of instances belonging to each class in a data-set plays an important role in machine learning. However, the real world data often suffer from class imbalance. Dealing with multi-class tasks with different misclassification costs of classes is harder than dealing with two-class ones. Undersampling and oversampling are two of the most popular data preprocessing techniques dealing with imbalanced data-sets. Ensemble classifiers have been shown to be more effective than data sampling techniques to enhance the classification performance of imbalanced data. Moreover, the combination of ensemble learning with sampling methods to tackle the class imbalance problem has led to several proposals in the literature, with positive results. The ensemble margin is a fundamental concept in ensemble learning. Several studies have shown that the generalization performance of an ensemble classifier is related to the distribution of its margins on the training examples. In this paper, we propose a novel ensemble margin based algorithm, which handles imbalanced classification by employing more low margin examples which are more informative than high margin samples. This algorithm combines ensemble learning with undersampling, but instead of balancing classes randomly such as UnderBagging, our method pays attention to constructing higher quality balanced sets for each base classifier. In order to demonstrate the effectiveness of the proposed method in handling class imbalanced data, UnderBagging and SMOTEBagging are used in a comparative analysis. In addition, we also compare the performances of different ensemble margin definitions, including both supervised and unsupervised margins, in class imbalance learning

A New Large Scale SVM for Classification of Imbalanced Evolving Streams

Classification from imbalanced evolving streams possesses a combined challenge of class imbalance and concept drift (CI-CD). However, the state of imbalance is dynamic, a kind of virtual concept drift. The imbalanced distributions and concept drift hinder the online learner’s performance as a combined or individual problem. A weighted hybrid online oversampling approach,”weighted online oversampling large scale support vector machine (WOOLASVM),” is proposed in this work to address this combined problem. The WOOLASVM is an SVM active learning approach with new boundary weighing strategies such as (i) dynamically oversampling the current boundary and (ii) dynamic weighing of the cost parameter of the SVM objective function. Thus at any time step, WOOLASVM maintains balanced class distributions so that the CI-CD problem does not hinder the online learner performance. Over extensive experiments on synthetic and real-world streams with the static and dynamic state of imbalance, the WOOLASVM exhibits better online classification performances than other state-of-the-art methods