SensroFINT ChemSCHOOL - September 2022, South of France

Come and attend ChemSchool,
the SensorFINT Summer School
from 5^th to 9^th Sept, 2022.

This Chemometrics School, jointly organized by SensorFINT, INRAe institute and Ondalys, in Lazaret center, in Sète ( close to Montpellier), proposes advanced training sessions in multivariate data analysis. These courses will be given by Europeans experts in Chemometrics.

ChemSchool objectives

This training session on multivariate data analysis- Chemometrics is intended for people wishing to:

Deepen their knowledge in spectral data analysis
Gain skills in linear and non-linear calibration
Practice on real data with different chemometrics software
Become autonomous in managing their spectral data

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for a quote

he training session proposes alternatively theoretical method principles and practical exercises using the ChemFlow software, with the possibility to use also Matlab^®, Scilab, R and Julia toolboxes.

Duration

4 days- 28 h

5 Sept -2022 2.00 pm to
9 Sept -2022 2.00 pm

Public

PhD, Post doctorants

Engineers, Researchers

Data

Any type of spectra: NIR, MIR, NMR.Raman …

R&D, process monitoring, instrumentation…

Pre-requisite

This training week is dedicated to people :

having good knowledge in spectroscopy and used to work with spectral data
used to practice on basis chemometrics methods i.e., able to calibrate a PLS, to carry out a PCA…

ChemSchool program

Introduction

Introduction to the tools (ChemFlow)

PCA Theory & application – Tom Fearn – 2 half days

Classical case (low inter correlation)
Spectral case (high inter correlation)
Outlier detection
Loading interpretation
Pretreatment selection

Unsupervised Challenge: choosing the best pretreatments, detecting outliers, structure, etc. without any model

formation analyse de donnees - chimiométrie

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the program

Modelling & Validating – Marina Cocchi & Jean Michel Roger – 3 half days

PLS Algorithm without maths
Notion of dimension
Figures of meritTuning of dimension CV
Modelling workflow
Preprocessings
Case studies, including fails

Supervised Challenge: tune the best model, on the data preprocessed in session 2,
test on unknown samples
Discussion

ANN based methods – Federico Marini & Eric Latrille – 1 half day

Introduction about ANN, self-organizing maps or GTM alternative method
Application on data set and software

Non-linear Methods – Matthieu Lesnoff – 1 half day

Local methods
Application on data set and software

Final Challenge – 1 half day

Teachers

Tom Fearn, from UCL – London’s Global University,UK

Tom Fearn is Professor of Applied Statistics in the Department of Statistical Science at UCL in London. His main research area is chemometrics, and in particular its applications to quantitative calibration and classification problems in NIR spectroscopy. He received the Tomas Hirschfeld award for contributions to NIRS in 2001 and is Immediate Past President of the International Council for Near Infrared Spectroscopy.

Federico Marini, from La Sapienza Università di Roma, Italy

Prof. Marini completed his PhD in 2004. In 2006, he was awarded the Young Researcher Prize from Italian Chemical Society and in 2012 he won the Chemometrics and Intelligent Laboratory Systems Award “for his achievements in chemometrics”. His research activity is focused on all aspects of chemometrics, ranging from the application of existing methods to real world problems in different fields to the design and development of novel algorithms. He is the past-coordinator of the Chemometric group of the Italian Chemical Society, and currently the vice-president of Italian NIR society and the coordinator of the Chemometric study group of EUCheMS.

Marina Cocchi from University of Modena and Reggio Emilia, Italy

Marina Cocchi is at present Associate Professor of Analytical Chemistry at University of Modena and Reggio Emilia. She got the PhD degree in Chemical Sciences in 1992 at the same University. Author of more than 100 publications on International Journals and books (H-ind 27, 2246 cit., Scopus). Main research topics: Multivariate, Multi-way and Multiset methods; Data Fusion; Feature selection; MSPC; Food Authenticity; Chemical fingerprinting by spectroscopy (MIR, NIR, NMR) and chromatography; Multivariate calibration; Experimental Design. She is member of editorial Board Chemometrics and Intelligent Laboratory Systems, and of Advisory Board of Comprehensive Chemometrics, Wiley, 2nd Ed.

Jean Michel Roger from INRAE, France

Jean-Michel Roger focused is research on the robustness problem. In 2003, simultaneously with Prof. Tom Fearn, he proposed a new generic method called External Parameter Orthogonalization (EPO) which permits to eliminate specific spectral effects from the NIRS calibration and thus to solve certain problems of robustness. He is also involved in the design of portable or online spectrometers using filters technology. In this aim, he developed a method (CovSel) that allows to select wavelengths with regard to multiple responses. He has created ChemHouse, a chemometrics research group, forge of the ChemFlow software (see https://chemproject.org).

Matthieu Lesnoff from CIRAD, France

Matthieu Lesnoff is biometrician at the Selmet (Mediterranean and tropical livestock farming systems) research unit in CIRAD. In chemometrics, he specializes in non-linear prediction methods, in particular on locally weighted PLSR approaches. He is actually in charge of developing a web platform for automated predictions of the composition of tropical forage compositions in CIRAD. He is member of the ChemHouse research group in Montpellier (https://chemproject.org) and has developed several chemometrics free packages in R and Julia languages (rchemo and Jchemo: https://github.com/mlesnoff ).