Deep learning for supervised classification

One of the most recent area in the Machine Learning research is Deep Learning. Deep Learning algorithms have been applied successfully to computer vision, automatic speech recognition, natural language processing, audio recognition and bioinformatics. The key idea of Deep Learning is to combine the best techniques from Machine Learning to build powerful general‑purpose learning algorithms. It is a mistake to identify Deep Neural Networks with Deep Learning Algorithms. Other approaches are possible, and in this paper we illustrate a generalization of Stacking which has very competitive performances. In particular, we show an application of this approach to a real classification problem, where a three-stages Stacking has proved to be very effective

A kernel-based framework for learning graded relations from data

Driven by a large number of potential applications in areas like bioinformatics, information retrieval and social network analysis, the problem setting of inferring relations between pairs of data objects has recently been investigated quite intensively in the machine learning community. To this end, current approaches typically consider datasets containing crisp relations, so that standard classification methods can be adopted. However, relations between objects like similarities and preferences are often expressed in a graded manner in real-world applications. A general kernel-based framework for learning relations from data is introduced here. It extends existing approaches because both crisp and graded relations are considered, and it unifies existing approaches because different types of graded relations can be modeled, including symmetric and reciprocal relations. This framework establishes important links between recent developments in fuzzy set theory and machine learning. Its usefulness is demonstrated through various experiments on synthetic and real-world data.Comment: This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessibl

Applicability of semi-supervised learning assumptions for gene ontology terms prediction

Gene Ontology (GO) is one of the most important resources in bioinformatics, aiming to provide a unified framework for the biological annotation of genes and proteins across all species. Predicting GO terms is an essential task for bioinformatics, but the number of available labelled proteins is in several cases insufficient for training reliable machine learning classifiers. Semi-supervised learning methods arise as a powerful solution that explodes the information contained in unlabelled data in order to improve the estimations of traditional supervised approaches. However, semi-supervised learning methods have to make strong assumptions about the nature of the training data and thus, the performance of the predictor is highly dependent on these assumptions. This paper presents an analysis of the applicability of semi-supervised learning assumptions over the specific task of GO terms prediction, focused on providing judgment elements that allow choosing the most suitable tools for specific GO terms. The results show that semi-supervised approaches significantly outperform the traditional supervised methods and that the highest performances are reached when applying the cluster assumption. Besides, it is experimentally demonstrated that cluster and manifold assumptions are complimentary to each other and an analysis of which GO terms can be more prone to be correctly predicted with each assumption, is provided.Postprint (published version

Machine Learning and Graph Theory Approaches for Classification and Prediction of Protein Structure

Recently, many methods have been proposed for the classification and prediction problems in bioinformatics. One of these problems is the protein structure prediction. Machine learning approaches and new algorithms have been proposed to solve this problem. Among the machine learning approaches, Support Vector Machines (SVM) have attracted a lot of attention due to their high prediction accuracy. Since protein data consists of sequence and structural information, another most widely used approach for modeling this structured data is to use graphs. In computer science, graph theory has been widely studied; however it has only been recently applied to bioinformatics. In this work, we introduced new algorithms based on statistical methods, graph theory concepts and machine learning for the protein structure prediction problem. A new statistical method based on z-scores has been introduced for seed selection in proteins. A new method based on finding common cliques in protein data for feature selection is also introduced, which reduces noise in the data. We also introduced new binary classifiers for the prediction of structural transitions in proteins. These new binary classifiers achieve much higher accuracy results than the current traditional binary classifiers

Finding rule groups to classify high dimensional gene expression datasets

Microarray data provides quantitative information about the transcription profile of cells. To analyze microarray datasets, methodology of machine learning has increasingly attracted bioinformatics researchers. Some approaches of machine learning are widely used to classify and mine biological datasets. However, many gene expression datasets are extremely high dimensionality, traditional machine learning methods can not be applied effectively and efficiently. This paper proposes a robust algorithm to find out rule groups to classify gene expression datasets. Unlike the most classification algorithms, which select dimensions (genes) heuristically to form rules groups to identify classes such as cancerous and normal tissues, our algorithm guarantees finding out best-k dimensions (genes), which are most discriminative to classify samples in different classes, to form rule groups for the classification of expression datasets. Our experiments show that the rule groups obtained by our algorithm have higher accuracy than that of other classification approaches <br /

ROSEFW-RF: the winner algorithm for the ECBDL’14 big data competition: an extremely imbalanced big data bioinformatics problem

The application of data mining and machine learning techniques to biological and biomedicine data continues to be an ubiquitous research theme in current bioinformatics. The rapid advances in biotechnology are allowing us to obtain and store large quantities of data about cells, proteins, genes, etc., that should be processed. Moreover, in many of these problems such as contact map prediction, the problem tackled in this paper, it is difficult to collect representative positive examples. Learning under these circumstances, known as imbalanced big data classification, may not be straightforward for most of the standard machine learning methods. In this work we describe the methodology that won the ECBDL’14 big data challenge for a bioinformatics big data problem. This algorithm, named as ROSEFW-RF, is based on several MapReduce approaches to (1) balance the classes distribution through random oversampling, (2) detect the most relevant features via an evolutionary feature weighting process and a threshold to choose them, (3) build an appropriate Random Forest model from the pre-processed data and finally (4) classify the test data. Across the paper, we detail and analyze the decisions made during the competition showing an extensive experimental study that characterize the way of working of our methodology. From this analysis we can conclude that this approach is very suitable to tackle large-scale bioinformatics classifications problems

Learning valued relations from data

Driven by a large number of potential applications in areas like bioinformatics, information retrieval and social network analysis, the problem setting of inferring relations between pairs of data objects has recently been investigated quite intensively in the machine learning community. To this end, current approaches typically consider datasets containing crisp relations, so that standard classification methods can be adopted. However, relations between objects like similarities and preferences are in many real-world applications often expressed in a graded manner. A general kernel-based framework for learning relations from data is introduced here. It extends existing approaches because both crisp and valued relations are considered, and it unifies existing approaches because different types of valued relations can be modeled, including symmetric and reciprocal relations. This framework establishes in this way important links between recent developments in fuzzy set theory and machine learning. Its usefulness is demonstrated on a case study in document retrieval

Deep Learning Methods for Protein Family Classification on PDB Sequencing Data

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure, function, and regulation of the body's tissues. Understanding protein functions is vital to the development of therapeutics and precision medicine, and hence the ability to classify proteins and their functions based on measurable features is crucial; indeed, the automatic inference of a protein's properties from its sequence of amino acids, known as its primary structure, remains an important open problem within the field of bioinformatics, especially given the recent advancements in sequencing technologies and the extensive number of known but uncategorized proteins with unknown properties. In this work, we demonstrate and compare the performance of several deep learning frameworks, including novel bi-directional LSTM and convolutional models, on widely available sequencing data from the Protein Data Bank (PDB) of the Research Collaboratory for Structural Bioinformatics (RCSB), as well as benchmark this performance against classical machine learning approaches, including k-nearest neighbors and multinomial regression classifiers, trained on experimental data. Our results show that our deep learning models deliver superior performance to classical machine learning methods, with the convolutional architecture providing the most impressive inference performance