Laurent Duval

Louna Alsouki, Laurent Duval, Clément Marteau et al.

Relating a set of variables X to a response y is crucial in chemometrics. A quantitative prediction objective can be enriched by qualitative data interpretation, for instance by locating the most influential features. When high-dimensional problems arise, dimension reduction techniques can be used. Most notable are projections (e.g. Partial Least Squares or PLS ) or variable selections (e.g. lasso). Sparse partial least squares combine both strategies, by blending variable selection into PLS. The variant presented in this paper, Dual-sPLS, generalizes the classical PLS1 algorithm. It provides balance between accurate prediction and efficient interpretation. It is based on penalizations inspired by classical regression methods (lasso, group lasso, least squares, ridge) and uses the dual norm notion. The resulting sparsity is enforced by an intuitive shrinking ratio parameter. Dual-sPLS favorably compares to similar regression methods, on simulated and real chemical data. Code is provided as an open-source package in R: \url{https://CRAN.R-project.org/package=dual.spls}.

Paul Zheng, Emilie Chouzenoux, Laurent Duval

Denoising, detrending, deconvolution: usual restoration tasks, traditionally decoupled. Coupled formulations entail complex ill-posed inverse problems. We propose PENDANTSS for joint trend removal and blind deconvolution of sparse peak-like signals. It blends a parsimonious prior with the hypothesis that smooth trend and noise can somewhat be separated by low-pass filtering. We combine the generalized quasi-norm ratio SOOT/SPOQ sparse penalties $\ell_p/\ell_q$ with the BEADS ternary assisted source separation algorithm. This results in a both convergent and efficient tool, with a novel Trust-Region block alternating variable metric forward-backward approach. It outperforms comparable methods, when applied to typically peaked analytical chemistry signals. Reproducible code is provided.

Arthur Marmin, Marc Castella, Jean-Christophe Pesquet et al.

We propose a method to reconstruct sparse signals degraded by a nonlinear distortion and acquired at a limited sampling rate. Our method formulates the reconstruction problem as a nonconvex minimization of the sum of a data fitting term and a penalization term. In contrast with most previous works which settle for approximated local solutions, we seek for a global solution to the obtained challenging nonconvex problem. Our global approach relies on the so-called Lasserre relaxation of polynomial optimization. We here specifically include in our approach the case of piecewise rational functions, which makes it possible to address a wide class of nonconvex exact and continuous relaxations of the $\ell_0$ penalization function. Additionally, we study the complexity of the optimization problem. It is shown how to use the structure of the problem to lighten the computational burden efficiently. Finally, numerical simulations illustrate the benefits of our method in terms of both global optimality and signal reconstruction.

Jean-Luc Peyrot, Laurent Duval, Frédéric Payan et al.

With huge data acquisition progresses realized in the past decades and acquisition systems now able to produce high resolution grids and point clouds, the digitization of physical terrains becomes increasingly more precise. Such extreme quantities of generated and modeled data greatly impact computational performances on many levels of high-performance computing (HPC): storage media, memory requirements, transfer capability, and finally simulation interactivity, necessary to exploit this instance of big data. Efficient representations and storage are thus becoming "enabling technologies'' in HPC experimental and simulation science. We propose HexaShrink, an original decomposition scheme for structured hexahedral volume meshes. The latter are used for instance in biomedical engineering, materials science, or geosciences. HexaShrink provides a comprehensive framework allowing efficient mesh visualization and storage. Its exactly reversible multiresolution decomposition yields a hierarchy of meshes of increasing levels of details, in terms of either geometry, continuous or categorical properties of cells. Starting with an overview of volume meshes compression techniques, our contribution blends coherently different multiresolution wavelet schemes in different dimensions. It results in a global framework preserving discontinuities (faults) across scales, implemented as a fully reversible upscaling at different resolutions. Experimental results are provided on meshes of varying size and complexity. They emphasize the consistency of the proposed representation, in terms of visualization, attribute downsampling and distribution at different resolutions. Finally, HexaShrink yields gains in storage space when combined to lossless compression techniques.

Camille Couprie, Laurent Duval, Maxime Moreaud et al.

Comprehensive Two dimensional gas chromatography (GCxGC) plays a central role into the elucidation of complex samples. The automation of the identification of peak areas is of prime interest to obtain a fast and repeatable analysis of chromatograms. To determine the concentration of compounds or pseudo-compounds, templates of blobs are defined and superimposed on a reference chromatogram. The templates then need to be modified when different chromatograms are recorded. In this study, we present a chromatogram and template alignment method based on peak registration called BARCHAN. Peaks are identified using a robust mathematical morphology tool. The alignment is performed by a probabilistic estimation of a rigid transformation along the first dimension, and a non-rigid transformation in the second dimension, taking into account noise, outliers and missing peaks in a fully automated way. Resulting aligned chromatograms and masks are presented on two datasets. The proposed algorithm proves to be fast and reliable. It significantly reduces the time to results for GCxGC analysis.