Kernel methods in genomics and computational biology

Support vector machines and kernel methods are increasingly popular in genomics and computational biology, due to their good performance in real-world applications and strong modularity that makes them suitable to a wide range of problems, from the classification of tumors to the automatic annotation of proteins. Their ability to work in high dimension, to process non-vectorial data, and the natural framework they provide to integrate heterogeneous data are particularly relevant to various problems arising in computational biology. In this chapter we survey some of the most prominent applications published so far, highlighting the particular developments in kernel methods triggered by problems in biology, and mention a few promising research directions likely to expand in the future

Predicting Graph Categories from Structural Properties

Complex networks are often categorized according to the underlying phenomena that they represent such as molecular interactions, re-tweets, and brain activity. In this work, we investigate the problem of predicting the category (domain) of arbitrary networks. This includes complex networks from different domains as well as synthetically generated graphs from five different network models. A classification accuracy of 96.6% is achieved using a random forest classifier with both real and synthetic networks. This work makes two important findings. First, our results indicate that complex networks from various domains have distinct structural properties that allow us to predict with high accuracy the category of a new previously unseen network. Second, synthetic graphs are trivial to classify as the classification model can predict with near-certainty the network model used to generate it. Overall, the results demonstrate that networks drawn from different domains (and network models) are trivial to distinguish using only a handful of simple structural properties

Texture analysis in gel electrophoresis images using an integrative kernel-based approach

[Abstract] Texture information could be used in proteomics to improve the quality of the image analysis of proteins separated on a gel. In order to evaluate the best technique to identify relevant textures, we use several different kernel-based machine learning techniques to classify proteins in 2-DE images into spot and noise. We evaluate the classification accuracy of each of these techniques with proteins extracted from ten 2-DE images of different types of tissues and different experimental conditions. We found that the best classification model was FSMKL, a data integration method using multiple kernel learning, which achieved AUROC values above 95% while using a reduced number of features. This technique allows us to increment the interpretability of the complex combinations of textures and to weight the importance of each particular feature in the final model. In particular the Inverse Difference Moment exhibited the highest discriminating power. A higher value can be associated with an homogeneous structure as this feature describes the homogeneity; the larger the value, the more symmetric. The final model is performed by the combination of different groups of textural features. Here we demonstrated the feasibility of combining different groups of textures in 2-DE image analysis for spot detection.Instituto de Salud Carlos III; PI13/00280United Kingdom. Medical Research Council; G10000427, MC_UU_12013/8Galicia. Consellería de Economía e Industria; 10SIN105004P

Identifying networks with common organizational principles

Many complex systems can be represented as networks, and the problem of network comparison is becoming increasingly relevant. There are many techniques for network comparison, from simply comparing network summary statistics to sophisticated but computationally costly alignment-based approaches. Yet it remains challenging to accurately cluster networks that are of a different size and density, but hypothesized to be structurally similar. In this paper, we address this problem by introducing a new network comparison methodology that is aimed at identifying common organizational principles in networks. The methodology is simple, intuitive and applicable in a wide variety of settings ranging from the functional classification of proteins to tracking the evolution of a world trade network.Comment: 26 pages, 7 figure