Stable Feature Selection for Biomarker Discovery

Feature selection techniques have been used as the workhorse in biomarker discovery applications for a long time. Surprisingly, the stability of feature selection with respect to sampling variations has long been under-considered. It is only until recently that this issue has received more and more attention. In this article, we review existing stable feature selection methods for biomarker discovery using a generic hierarchal framework. We have two objectives: (1) providing an overview on this new yet fast growing topic for a convenient reference; (2) categorizing existing methods under an expandable framework for future research and development

Infinite Latent Feature Selection: A Probabilistic Latent Graph-Based Ranking Approach

Feature selection is playing an increasingly significant role with respect to many computer vision applications spanning from object recognition to visual object tracking. However, most of the recent solutions in feature selection are not robust across different and heterogeneous set of data. In this paper, we address this issue proposing a robust probabilistic latent graph-based feature selection algorithm that performs the ranking step while considering all the possible subsets of features, as paths on a graph, bypassing the combinatorial problem analytically. An appealing characteristic of the approach is that it aims to discover an abstraction behind low-level sensory data, that is, relevancy. Relevancy is modelled as a latent variable in a PLSA-inspired generative process that allows the investigation of the importance of a feature when injected into an arbitrary set of cues. The proposed method has been tested on ten diverse benchmarks, and compared against eleven state of the art feature selection methods. Results show that the proposed approach attains the highest performance levels across many different scenarios and difficulties, thereby confirming its strong robustness while setting a new state of the art in feature selection domain.Comment: Accepted at the IEEE International Conference on Computer Vision (ICCV), 2017, Venice. Preprint cop

An Optimisation-Driven Prediction Method for Automated Diagnosis and Prognosis

open access articleThis article presents a novel hybrid classification paradigm for medical diagnoses and prognoses prediction. The core mechanism of the proposed method relies on a centroid classification algorithm whose logic is exploited to formulate the classification task as a real-valued optimisation problem. A novel metaheuristic combining the algorithmic structure of Swarm Intelligence optimisers with the probabilistic search models of Estimation of Distribution Algorithms is designed to optimise such a problem, thus leading to high-accuracy predictions. This method is tested over 11 medical datasets and compared against 14 cherry-picked classification algorithms. Results show that the proposed approach is competitive and superior to the state-of-the-art on several occasions

Expectation Propagation for Approximate Inference: Free Probability Framework

We study asymptotic properties of expectation propagation (EP) -- a method for approximate inference originally developed in the field of machine learning. Applied to generalized linear models, EP iteratively computes a multivariate Gaussian approximation to the exact posterior distribution. The computational complexity of the repeated update of covariance matrices severely limits the application of EP to large problem sizes. In this study, we present a rigorous analysis by means of free probability theory that allows us to overcome this computational bottleneck if specific data matrices in the problem fulfill certain properties of asymptotic freeness. We demonstrate the relevance of our approach on the gene selection problem of a microarray dataset.Comment: Both authors are co-first authors. The main body of this paper is accepted for publication in the proceedings of the 2018 IEEE International Symposium on Information Theory (ISIT

Infinite feature selection: a graph-based feature filtering approach

We propose a filtering feature selection framework that considers a subset of features as a path in a graph, where a node is a feature and an edge indicates pairwise (customizable) relations among features, dealing with relevance and redundancy principles. By two different interpretations (exploiting properties of power series of matrices and relying on Markov chains fundamentals) we can evaluate the values of paths (i.e., feature subsets) of arbitrary lengths, eventually go to infinite, from which we dub our framework Infinite Feature Selection (Inf-FS). Going to infinite allows to constrain the computational complexity of the selection process, and to rank the features in an elegant way, that is, considering the value of any path (subset) containing a particular feature. We also propose a simple unsupervised strategy to cut the ranking, so providing the subset of features to keep. In the experiments, we analyze diverse setups with heterogeneous features, for a total of 11 benchmarks, comparing against 18 widely-known yet effective comparative approaches. The results show that Inf-FS behaves better in almost any situation, that is, when the number of features to keep are fixed a priori, or when the decision of the subset cardinality is part of the process

A survey of kernel and spectral methods for clustering

Clustering algorithms are a useful tool to explore data structures and have been employed in many disciplines. The focus of this paper is the partitioning clustering problem with a special interest in two recent approaches: kernel and spectral methods. The aim of this paper is to present a survey of kernel and spectral clustering methods, two approaches able to produce nonlinear separating hypersurfaces between clusters. The presented kernel clustering methods are the kernel version of many classical clustering algorithms, e.g., K-means, SOM and neural gas. Spectral clustering arise from concepts in spectral graph theory and the clustering problem is configured as a graph cut problem where an appropriate objective function has to be optimized. An explicit proof of the fact that these two paradigms have the same objective is reported since it has been proven that these two seemingly different approaches have the same mathematical foundation. Besides, fuzzy kernel clustering methods are presented as extensions of kernel K-means clustering algorithm. (C) 2007 Pattem Recognition Society. Published by Elsevier Ltd. All rights reserved

Graph Kernels

We present a unified framework to study graph kernels, special cases of which include the random walk (Gärtner et al., 2003; Borgwardt et al., 2005) and marginalized (Kashima et al., 2003, 2004; Mahé et al., 2004) graph kernels. Through reduction to a Sylvester equation we improve the time complexity of kernel computation between unlabeled graphs with n vertices from O(n^6) to O(n^3). We find a spectral decomposition approach even more efficient when computing entire kernel matrices. For labeled graphs we develop conjugate gradient and fixed-point methods that take O(dn^3) time per iteration, where d is the size of the label set. By extending the necessary linear algebra to Reproducing Kernel Hilbert Spaces (RKHS) we obtain the same result for d-dimensional edge kernels, and O(n^4) in the infinite-dimensional case; on sparse graphs these algorithms only take O(n^2) time per iteration in all cases. Experiments on graphs from bioinformatics and other application domains show that these techniques can speed up computation of the kernel by an order of magnitude or more. We also show that certain rational kernels (Cortes et al., 2002, 2003, 2004) when specialized to graphs reduce to our random walk graph kernel. Finally, we relate our framework to R-convolution kernels (Haussler, 1999) and provide a kernel that is close to the optimal assignment kernel of Fröhlich et al. (2006) yet provably positive semi-definite

Deep Artificial Neural Networks and Neuromorphic Chips for Big Data Analysis: Pharmaceutical and Bioinformatics Applications

[Abstract] Over the past decade, Deep Artificial Neural Networks (DNNs) have become the state-of-the-art algorithms in Machine Learning (ML), speech recognition, computer vision, natural language processing and many other tasks. This was made possible by the advancement in Big Data, Deep Learning (DL) and drastically increased chip processing abilities, especially general-purpose graphical processing units (GPGPUs). All this has created a growing interest in making the most of the potential offered by DNNs in almost every field. An overview of the main architectures of DNNs, and their usefulness in Pharmacology and Bioinformatics are presented in this work. The featured applications are: drug design, virtual screening (VS), Quantitative Structure–Activity Relationship (QSAR) research, protein structure prediction and genomics (and other omics) data mining. The future need of neuromorphic hardware for DNNs is also discussed, and the two most advanced chips are reviewed: IBM TrueNorth and SpiNNaker. In addition, this review points out the importance of considering not only neurons, as DNNs and neuromorphic chips should also include glial cells, given the proven importance of astrocytes, a type of glial cell which contributes to information processing in the brain. The Deep Artificial Neuron–Astrocyte Networks (DANAN) could overcome the difficulties in architecture design, learning process and scalability of the current ML methods.Galicia. Consellería de Cultura, Educación e Ordenación Universitaria; GRC2014/049Galicia. Consellería de Cultura, Educación e Ordenación Universitaria; R2014/039Instituto de Salud Carlos III; PI13/0028

Gene Regulatory Network Reconstruction Using Dynamic Bayesian Networks

High-content technologies such as DNA microarrays can provide a system-scale overview of how genes interact with each other in a network context. Various mathematical methods and computational approaches have been proposed to reconstruct GRNs, including Boolean networks, information theory, differential equations and Bayesian networks. GRN reconstruction faces huge intrinsic challenges on both experimental and theoretical fronts, because the inputs and outputs of the molecular processes are unclear and the underlying principles are unknown or too complex. In this work, we focused on improving the accuracy and speed of GRN reconstruction with Dynamic Bayesian based method. A commonly used structure-learning algorithm is based on REVEAL (Reverse Engineering Algorithm). However, this method has some limitations when it is used for reconstructing GRNs. For instance, the two-stage temporal Bayes network (2TBN) cannot be well recovered by application of REVEAL; it has low accuracy and speed for high dimensionality networks that has above a hundred nodes; and it even cannot accomplish the task of reconstructing a network with 400 nodes. We implemented an algorithm for DBN structure learning with Friedman\u27s score function to replace REVEAL, and tested it on reconstruction of both synthetic networks and real yeast networks and compared it with REVEAL in the absence or presence of preprocessed network generated by Zou and Conzen\u27s algorithm. The new score metric improved the precision and recall of GRN reconstruction. Networks of gene interactions were reconstructed using a Dynamic Bayesian Network (DBN) approach and were analyzed to identify the mechanism of chemical-induced reversible neurotoxicity through reconstruction of gene regulatory networks in earthworms with tools curating relevant genes from non-model organism\u27s pathway to model organism pathway