Alignment of Multiple Configurations Using Hierarchical Models

J Ruffieux, PJ Green

Research output: Contribution to journalArticle (Academic Journal)peer-review

10 Citations (Scopus)

Abstract

We describe a method for aligning multiple unlabeled configurations simultaneously. Specifically, we extend the two-configuration matching approach of Green and Mardia (2006) to the multiple configuration setting. Our approach is based on the introduction of a set of hidden locations underlying the observed configuration points. A Poisson process prior is assigned to these locations, resulting in a simplified formulation of the model. We make use of a structure containing the relevant information on the matches, of which there are different types to take into account. Bayesian inference can be made simultaneously on the matching and the relative transformations between the configurations. We focus on the particular case of rigid-body transformations and Gaussian observation errors. We apply our method to a problem in chemoinformatics: the alignment of steroid molecules
Translated title of the contributionAlignment of Multiple Configurations Using Hierarchical Models
Original languageEnglish
Pages (from-to)756 - 773
Number of pages18
JournalJournal of Computational and Graphical Statistics
Volume18
Issue number3
DOIs
Publication statusPublished - Sep 2009

Bibliographical note

Publisher: American Statistical Association

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