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School-StatIR-2018

October 24-26, 2018 Synchrotron SOLEIL
REGISTRATION DEADLINE

September 15th 2018

Vibrational microspectroscopies such as IR and Raman microscopies produce ever greater datasets that render conventional analysis techniques impossible making it necessary to resort to automated methods. Machine learning and multivariate statistical analysis techniques have become standard in the scientific literature for analyzing large collections of infrared and Raman spectra.

The SMIS beamline organizes the 5th edition of its infrared microspectroscopy data analysis course that will be held at SOLEIL from Wednesday, October 24th to Friday, October 26th 2018.

The 2.5-day course will be held in English at the SOLEIL synchrotron facility.

The course is intended for non-specialists, that shall already have an experience in measuring infrared or Raman spectra or spectral maps, and will include some theoretical background but it will focus on practical applications.

The course will include an introduction to spectral preprocessing techniques for spectra and spectral images.

The course will cover data exploration techniques such as PCA, clustering methods (K-means, HCA, CART, LDA), regressions methods (Logit, PLSR) and advanced methods such as ANN and RFC.

Hand-on training will be carried out on the Spectral Orange and TheUnscramblerX  softwares.

 

Programme

 

October 24th, 2018

 

 

October 25th, 2018

 

 

October 26th, 2018

08:00 – 08:30

Welcome

 

 

 

 

 

 

08:30 - 10:30

SESSION 1:

Introduction to multivariate statistical analysis for IR:
the need for MVA

 

08:30 – 10:30

SESSION 1:

Principal Component Analysis: theory

 

08:30 – 09:30

SESSION 1:

Imaging: Theory

10:30 – 10:45

Coffee break

 

10:30 – 10:45

Coffee break

 

09:30 – 09:45

Coffee break

10:45 – 12:15

SESSION 2:

Preparing data:
-basic preprocessing methods
-advanced preprocessing methods.

 

10:45 – 12:45

SESSION 2:

Principal Component Analysis: practical (Unscrambler X)

 

09:45 – 11:45

SESSION 2:

Imaging:
Practical (Orange)

12:15 – 13:30

Lunch

 

12:45 – 13:45

Lunch

 

11:45 – 12:15

Discussion and conclusions

13:30 – 14:30

 

 

 

14:30 – 15:30

SESSION 3:

Introduction to unsupervised clustering methods.

 

 

SESSION 4:

Introduction to Orange and Unscrambler software

 

13:45 – 15:45

SESSION 3:

Introduction to Supervised Regression and Classification methods:
KNN, PCR, PLSR, PLSDA, MCR-ALS

 

 

 

15:30 – 15:45

Coffee break

 

15:45 – 16:00

Coffee break

 

 

 

15:45 – 17:45

SESSION 5:

Unsupervised clustering methods
Practical : (Orange/Unscrambler)

 

 

16:00 – 17:30


 

 

17:30 – 18:00

SESSION 4:

Advanced clustering methods
(RFC, ANN)

 

BEAMLINE VISIT

 

 

 

 
Organizing Committee:

Teachers, SMIS beamline: 

Ferenc BORONDICS
Christophe SANDT
Marko TOPLAK

Local organizing:

Frédérique FRAISSARD
Sylvie KOGUC

 

 

Registration on line (the registration is limited to 16 participants)

The course will be entirely free of charge (including lunches).

Travel, accommodation and dinner will be at participant expenses.

Registration fees FREE
SOLEIL Guest House 35,00€ (including night and breakfast)
Dinner at SOLEIL canteen 12,00€

The number of seats is limited. An application form is required during registration.

According the number of applications,  the scientific committee will do a selection.

 


 

Accommodation

SOLEIL Guest House
L'Orme des Merisiers - 91190 GIF / YVETTE
Tel: +33(0)1 69 35 82 00
Email: hebergement@synchrotron-soleil.fr 

Night and breakfast: 35 €

 

Access to SOLEIL

If you come by car:

Geographical address: 
Synchrotron SOLEIL
L’Orme des Merisiers 
Rond point du Golf de Saint Aubin
91190 Saint Aubin

Location coordinates:
Latitude : 48.711922
Longitude : 2.146156
Intersection between RD306 and D128

 

If you come by Public Transports:

From PARIS and CHARLES-DE-GAULLE Airport: RER B direction to SAINT-RÉMY-LÈS-CHEVREUSE and stop at:

"MASSY-PALAISEAU" station - BUS n°91-06 B ou C direction to SAINT-QUENTIN GARE, stop at “L’ORME DES MERISIERS”;

"LE GUICHET" station - walk to the bus station, take bus n°9, direction to SACLAY, stop at "L’ORME DES MERISIERS";

"GIF SUR YVETTE" station, take bus n° 10, stop at "SAINT AUBIN";

From ORLY Airport : ORLYVAL train, stop at ANTONY, take the RER B (then same as above) or BUS n°91-10 direction "Christ / N306, Saclay", stop at "L'ORME DES MERISIERS" (around 1h - end of service at 9 p.m).