Structured, sparse regression with application to HIV drug resistance

We introduce a new version of forward stepwise regression. Our modification finds solutions to regression problems where the selected predictors appear in a structured pattern, with respect to a predefined distance measure over the candidate predictors. Our method is motivated by the problem of predicting HIV-1 drug resistance from protein sequences. We find that our method improves the interpretability of drug resistance while producing comparable predictive accuracy to standard methods. We also demonstrate our method in a simulation study and present some theoretical results and connections.Comment: Published in at http://dx.doi.org/10.1214/10-AOAS428 the Annals of Applied Statistics (http://www.imstat.org/aoas/) by the Institute of Mathematical Statistics (http://www.imstat.org

Accelerating delayed-acceptance Markov chain Monte Carlo algorithms

Delayed-acceptance Markov chain Monte Carlo (DA-MCMC) samples from a probability distribution via a two-stages version of the Metropolis-Hastings algorithm, by combining the target distribution with a "surrogate" (i.e. an approximate and computationally cheaper version) of said distribution. DA-MCMC accelerates MCMC sampling in complex applications, while still targeting the exact distribution. We design a computationally faster, albeit approximate, DA-MCMC algorithm. We consider parameter inference in a Bayesian setting where a surrogate likelihood function is introduced in the delayed-acceptance scheme. When the evaluation of the likelihood function is computationally intensive, our scheme produces a 2-4 times speed-up, compared to standard DA-MCMC. However, the acceleration is highly problem dependent. Inference results for the standard delayed-acceptance algorithm and our approximated version are similar, indicating that our algorithm can return reliable Bayesian inference. As a computationally intensive case study, we introduce a novel stochastic differential equation model for protein folding data.Comment: 40 pages, 21 figures, 10 table

Connectionist Theory Refinement: Genetically Searching the Space of Network Topologies

An algorithm that learns from a set of examples should ideally be able to exploit the available resources of (a) abundant computing power and (b) domain-specific knowledge to improve its ability to generalize. Connectionist theory-refinement systems, which use background knowledge to select a neural network's topology and initial weights, have proven to be effective at exploiting domain-specific knowledge; however, most do not exploit available computing power. This weakness occurs because they lack the ability to refine the topology of the neural networks they produce, thereby limiting generalization, especially when given impoverished domain theories. We present the REGENT algorithm which uses (a) domain-specific knowledge to help create an initial population of knowledge-based neural networks and (b) genetic operators of crossover and mutation (specifically designed for knowledge-based networks) to continually search for better network topologies. Experiments on three real-world domains indicate that our new algorithm is able to significantly increase generalization compared to a standard connectionist theory-refinement system, as well as our previous algorithm for growing knowledge-based networks.Comment: See http://www.jair.org/ for any accompanying file

GFLIB: an Open Source Library for Genetic Folding Solving Optimization Problems

This paper aims at presenting GFLIB, a Genetic Folding MATLAB toolbox for supervised learning problems. In essence, the goal of GFLIB is to build a concise model of supervised learning, and a free open source MATLAB toolbox for performing classification and regression. The GFLIB is specifically designed for most of the traditionally used features, to evolve in applications of mathematical models. The toolbox suits all kinds of users; from the users who implemented GFLIB as “black box”, to advanced researchers who want to generate and test new functionalities and parameters of GF algorithm. The toolbox and its documentation are freely available for download at: https://github.com/mohabedalgani/gflib.git

A cDNA Microarray Gene Expression Data Classifier for Clinical Diagnostics Based on Graph Theory

Despite great advances in discovering cancer molecular profiles, the proper application of microarray technology to routine clinical diagnostics is still a challenge. Current practices in the classification of microarrays' data show two main limitations: the reliability of the training data sets used to build the classifiers, and the classifiers' performances, especially when the sample to be classified does not belong to any of the available classes. In this case, state-of-the-art algorithms usually produce a high rate of false positives that, in real diagnostic applications, are unacceptable. To address this problem, this paper presents a new cDNA microarray data classification algorithm based on graph theory and is able to overcome most of the limitations of known classification methodologies. The classifier works by analyzing gene expression data organized in an innovative data structure based on graphs, where vertices correspond to genes and edges to gene expression relationships. To demonstrate the novelty of the proposed approach, the authors present an experimental performance comparison between the proposed classifier and several state-of-the-art classification algorithm

A Framework for Genetic Algorithms Based on Hadoop

Genetic Algorithms (GAs) are powerful metaheuristic techniques mostly used in many real-world applications. The sequential execution of GAs requires considerable computational power both in time and resources. Nevertheless, GAs are naturally parallel and accessing a parallel platform such as Cloud is easy and cheap. Apache Hadoop is one of the common services that can be used for parallel applications. However, using Hadoop to develop a parallel version of GAs is not simple without facing its inner workings. Even though some sequential frameworks for GAs already exist, there is no framework supporting the development of GA applications that can be executed in parallel. In this paper is described a framework for parallel GAs on the Hadoop platform, following the paradigm of MapReduce. The main purpose of this framework is to allow the user to focus on the aspects of GA that are specific to the problem to be addressed, being sure that this task is going to be correctly executed on the Cloud with a good performance. The framework has been also exploited to develop an application for Feature Subset Selection problem. A preliminary analysis of the performance of the developed GA application has been performed using three datasets and shown very promising performance