Biomedical subjects

Roberto Santana

Publications and source records attributed to Roberto Santana.

3 recordsLinked to original sources

PubMed2006

Side chain placement using estimation of distribution algorithms.

OBJECTIVE: This paper presents an algorithm for the solution of the side chain placement problem. METHODS AND MATERIALS: The algorithm combines the application of the Goldstein elimination criterion with the univariate marginal distribution algorithm (UMDA), which stochastically searches the space of possible solutions. The suitability of the algorithm to address the problem is investigated using a set of 425 proteins. RESULTS: For a number of difficult instances where inference algorithms do not converge, it has been shown that UMDA is able to find better structures. CONCLUSIONS: The results obtained show that the algorithm can achieve better structures than those obtained with other state-of-the-art methods like inference-based techniques. Additionally, a theoretical and empirical analysis of the computational cost of the algorithm introduced has been presented.

Algorithms↗

PubMed2006

Machine learning in bioinformatics.

This article reviews machine learning methods for bioinformatics. It presents modelling methods, such as supervised classification, clustering and probabilistic graphical models for knowledge discovery, as well as deterministic and stochastic heuristics for optimization. Applications in genomics, proteomics, systems biology, evolution and text mining are also shown.

Artificial Intelligence↗

PubMed2005

Estimation of distribution algorithms with Kikuchi approximations.

The question of finding feasible ways for estimating probability distributions is one of the main challenges for Estimation of Distribution Algorithms (EDAs). To estimate the distribution of the selected solutions, EDAs use factorizations constructed according to graphical models. The class of factorizations that can be obtained from these probability models is highly constrained. Expanding the class of factorizations that could be employed for probability approximation is a necessary step for the conception of more robust EDAs. In this paper we introduce a method for learning a more general class of probability factorizations. The method combines a reformulation of a probability approximation procedure known in statistical physics as the Kikuchi approximation of energy, with a novel approach for finding graph decompositions. We present the Markov Network Estimation of Distribution Algorithm (MN-EDA), an EDA that uses Kikuchi approximations to estimate the distribution, and Gibbs Sampling (GS) to generate new points. A systematic empirical evaluation of MN-EDA is done in comparison with different Bayesian network based EDAs. From our experiments we conclude that the algorithm can outperform other EDAs that use traditional methods of probability approximation in the optimization of functions with strong interactions among their variables.

Algorithms↗