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}.

Abir Ben Khaled-El Feki, Laurent Duval, Cyril Faure et al.

The growing complexity of Cyber-Physical Systems (CPS), together with increasingly available parallelism provided by multi-core chips, fosters the parallelization of simulation. Simulation speed-ups are expected from co-simulation and parallelization based on model splitting into weak-coupled sub-models, as for instance in the framework of Functional Mockup Interface (FMI). However, slackened synchronization between sub-models and their associated solvers running in parallel introduces integration errors, which must be kept inside acceptable bounds. CHOPtrey denotes a forecasting framework enhancing the performance of complex system co-simulation, with a trivalent articulation. First, we consider the framework of a Computationally Hasty Online Prediction system (CHOPred). It allows to improve the trade-off between integration speed-ups, needing large communication steps, and simulation precision, needing frequent updates for model inputs. Second, smoothed adaptive forward prediction improves co-simulation accuracy. It is obtained by past-weighted extrapolation based on Causal Hopping Oblivious Polynomials (CHOPoly). And third, signal behavior is segmented to handle the discontinuities of the exchanged signals: the segmentation is performed in a Contextual \& Hierarchical Ontology of Patterns (CHOPatt). Implementation strategies and simulation results demonstrate the framework ability to adaptively relax data communication constraints beyond synchronization points which sensibly accelerate simulation. The CHOPtrey framework extends the range of applications of standard Lagrange-type methods, often deemed unstable. The embedding of predictions in lag-dependent smoothing and discontinuity handling demonstrates its practical efficiency.

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.

Mouna Gharbi, Silvia Villa, Emilie Chouzenoux et al.

Data restoration from degraded observations, of sparsity hypotheses, is an active field of study. Traditional iterative optimization methods are now complemented by deep learning techniques. The development of unfolded methods benefits from both families. We carry out a comparative study of three architectures on parameterized chromatographic signal databases, highlighting the performance of these approaches, especially when employing metrics adapted to physico-chemical peak signal characterization.

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.

Caroline Chaux, Laurent Duval, Jean-Christophe Pesquet

We propose a 2D generalization to the $M$-band case of the dual-tree decomposition structure (initially proposed by N. Kingsbury and further investigated by I. Selesnick) based on a Hilbert pair of wavelets. We particularly address (\textit{i}) the construction of the dual basis and (\textit{ii}) the resulting directional analysis. We also revisit the necessary pre-processing stage in the $M$-band case. While several reconstructions are possible because of the redundancy of the representation, we propose a new optimal signal reconstruction technique, which minimizes potential estimation errors. The effectiveness of the proposed $M$-band decomposition is demonstrated via denoising comparisons on several image types (natural, texture, seismics), with various $M$-band wavelets and thresholding strategies. Significant improvements in terms of both overall noise reduction and direction preservation are observed.

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.