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Last name: CAZALS
First name: Frédéric
International audience
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International audience
We propose a novel nonparametric online predictor for discrete labels conditioned on multivariate continuous features. The predictor is based on a feature space discretization induced by a full-fledged k-d tree with randomly picked directions and a recursive Bayesian distribution, which allows to automatically learn the most relevant feature...
The Wang-Landau (WL) algorithm is a stochastic algorithm designed to compute densities of states of a physical system. Is has also been recently used to perform challenging numerical integration in high-dimensional spaces. Using WL requires specifying the system handled, the proposal to explore the definition domain, and the measured against...
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Motivation: Software in structural bioinformatics has mainly been application driven. To favor practitionersseeking off-the-shelf applications, but also developers seeking advanced building blocks to develop novelapplications, we undertook the design of the Structural Bioinformatics Library (SBL, http://sbl.inria.fr), a generic C++/python...
Comparing two sets of multivariate samples is a central problem in data analysis. From a statisticalstandpoint, the simplest way to perform such a comparison is to resort to a non-parametric two-sampletest (TST), which checks whether the two sets can be seen as i.i.d. samples of an identical unknowndistribution (the null hypothesis). If the...
Comparing two sets of multivariate samples is a central problem in data analysis. From a statisticalstandpoint, the simplest way to perform such a comparison is to resort to a non-parametric two-sampletest (TST), which checks whether the two sets can be seen as i.i.d. samples of an identical unknowndistribution (the null hypothesis). If the...
No description
The Wang-Landau (WL) algorithm is a recently developed stochastic algorithm computing densities of states of a physical system. Since its inception, it has been used on a variety of (bio-)physical systems, and in selected cases, its convergence has been proved. The convergence speed of the algorithm is tightly tied to the connectivity...
Abstract Flexible loops are paramount to protein functions, with action modes ranging from localized dynamics contributing to the free energy of the system, to large amplitude conformational changes accounting for the repositioning whole secondary structure elements or protein domains. However, generating diverse and low energy loops remains a...
First book that strikes a balance between biology and biomedicine on the one hand, and applied mathematics and computer science on the other hand Presents a panoply of systems ranging from atoms and molecules to organs and biomedicine Three communities are addressed: Bioinformatics, Biomedicine, and Neuroscience Computational biology,...
The root mean square deviation (RMSD) and the least RMSD are two widely used similarity measures in structural bioinformatics. Yet, they stem from global comparisons, possibly obliterating locally conserved motifs. We correct these limitations with the so-called combined RMSD, which mixes independent lRMSD measures, each computed with its own...
International audience
The earth mover distance (EMD) or the Mallows distance are example optimal transportation (OT) problems reducing to linear programs. In thiswork, we study a generalization of these problems when the supply and demand nodes are the vertices of two graphs called the supply and the demand graphs. The novel problems embed connectivity constraints...
Given samples from two distributions, a nonparametric two-sample testaims at determining whether the two distributions are equal or not,based on a test statistic. This statistic may be computed on the wholedataset, or may be computed on a subset of the dataset by a functiontrained on its complement. We propose a third tier, consisting...
Abstract Flexible loops are paramount to protein functions, with action modes ranging from localized dynamics contributing to the free energy of the system, to large amplitude conformational changes accounting for the repositioning whole secondary structure elements or protein domains. However, generating diverse and low energy loops remains a...
The Wang-Landau (WL) algorithm is a recently developed stochastic algorithm computing densities of states of a physical system. Since its inception, it has been used on a variety of (bio-)physical systems, and in selected cases, its convergence has been proved. The convergence speed of the algorithm is tightly tied to the connectivity...