A study of hierarchical and flat classification of proteins

Automatic classification of proteins using machine learning is an important problem that has received significant attention in the literature. One feature of this problem is that expert-defined hierarchies of protein classes exist and can potentially be exploited to improve classification performance. In this article we investigate empirically whether this is the case for two such hierarchies. We compare multi-class classification techniques that exploit the information in those class hierarchies and those that do not, using logistic regression, decision trees, bagged decision trees, and support vector machines as the underlying base learners. In particular, we compare hierarchical and flat variants of ensembles of nested dichotomies. The latter have been shown to deliver strong classification performance in multi-class settings. We present experimental results for synthetic, fold recognition, enzyme classification, and remote homology detection data. Our results show that exploiting the class hierarchy improves performance on the synthetic data, but not in the case of the protein classification problems. Based on this we recommend that strong flat multi-class methods be used as a baseline to establish the benefit of exploiting class hierarchies in this area

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 technique for improving multi-class classification with neural networks

We present a novel method to perform multi-class pattern classification with neural networks and test it on a challenging 3D hand gesture recognition problem. Our method consists of a standard one-against-all (OAA) classification, followed by another network layer classifying the resulting class scores, possibly augmented by the original raw input vector. This allows the network to disambiguate hard-to-separate classes as the distribution of class scores carries considerable information as well, and is in fact often used for assessing the confidence of a decision. We show that by this approach we are able to significantly boost our results, overall as well as for particular difficult cases, on the hard 10-class gesture classification task.Comment: European Symposium on artificial neural networks (ESANN), Jun 2015, Bruges, Belgiu

Classification of protein interaction sentences via gaussian processes

The increase in the availability of protein interaction studies in textual format coupled with the demand for easier access to the key results has lead to a need for text mining solutions. In the text processing pipeline, classification is a key step for extraction of small sections of relevant text. Consequently, for the task of locating protein-protein interaction sentences, we examine the use of a classifier which has rarely been applied to text, the Gaussian processes (GPs). GPs are a non-parametric probabilistic analogue to the more popular support vector machines (SVMs). We find that GPs outperform the SVM and na\"ive Bayes classifiers on binary sentence data, whilst showing equivalent performance on abstract and multiclass sentence corpora. In addition, the lack of the margin parameter, which requires costly tuning, along with the principled multiclass extensions enabled by the probabilistic framework make GPs an appealing alternative worth of further adoption

Robust ASR using Support Vector Machines

The improved theoretical properties of Support Vector Machines with respect to other machine learning alternatives due to their max-margin training paradigm have led us to suggest them as a good technique for robust speech recognition. However, important shortcomings have had to be circumvented, the most important being the normalisation of the time duration of different realisations of the acoustic speech units. In this paper, we have compared two approaches in noisy environments: first, a hybrid HMM–SVM solution where a fixed number of frames is selected by means of an HMM segmentation and second, a normalisation kernel called Dynamic Time Alignment Kernel (DTAK) first introduced in Shimodaira et al. [Shimodaira, H., Noma, K., Nakai, M., Sagayama, S., 2001. Support vector machine with dynamic time-alignment kernel for speech recognition. In: Proc. Eurospeech, Aalborg, Denmark, pp. 1841–1844] and based on DTW (Dynamic Time Warping). Special attention has been paid to the adaptation of both alternatives to noisy environments, comparing two types of parameterisations and performing suitable feature normalisation operations. The results show that the DTA Kernel provides important advantages over the baseline HMM system in medium to bad noise conditions, also outperforming the results of the hybrid system.Publicad

Kernel-based machine learning protocol for predicting DNA-binding proteins

DNA-binding proteins (DNA-BPs) play a pivotal role in various intra- and extra-cellular activities ranging from DNA replication to gene expression control. Attempts have been made to identify DNA-BPs based on their sequence and structural information with moderate accuracy. Here we develop a machine learning protocol for the prediction of DNA-BPs where the classifier is Support Vector Machines (SVMs). Information used for classification is derived from characteristics that include surface and overall composition, overall charge and positive potential patches on the protein surface. In total 121 DNA-BPs and 238 non-binding proteins are used to build and evaluate the protocol. In self-consistency, accuracy value of 100% has been achieved. For cross-validation (CV) optimization over entire dataset, we report an accuracy of 90%. Using leave 1-pair holdout evaluation, the accuracy of 86.3% has been achieved. When we restrict the dataset to less than 20% sequence identity amongst the proteins, the holdout accuracy is achieved at 85.8%. Furthermore, seven DNA-BPs with unbounded structures are all correctly predicted. The current performances are better than results published previously. The higher accuracy value achieved here originates from two factors: the ability of the SVM to handle features that demonstrate a wide range of discriminatory power and, a different definition of the positive patch. Since our protocol does not lean on sequence or structural homology, it can be used to identify or predict proteins with DNA-binding function(s) regardless of their homology to the known ones