Laboratoire de Spectrochimie Infrarouge et Raman

Implementation of image processing

approaches as spatial constraints in MCRALS of hyperspectral images
S. Hugelier1, O. Devos1, A. De Juan2, C. Ruckebusch1
1LASIR

CNRS Universit de Lille, France; 2Universitat de Barcelona, Spain

July 5, 2016 6th IASIM Conference

http://lasir.univ-lille1.fr

Outline

Motivation
Constraints
Results & Discussion
Conclusion
Colloque - Date

Outline

Motivation
Constraints
Results & Discussion
Conclusion
Colloque - Date

- Chemical data Process spectroscopy

t+
t

Hyperspectral Imaging

2D +

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

D = CST + E

C1

S1T

July 5, 2016 6th IASIM Conference

S2T

+
Component 1

MCR-ALS: bilinear decomposition of the data

C2

Component 2

- Multivariate Curve Resolution Alternating Least Squares -

Spectral information

Constraints:
- Non negativity
- Unimodality
- Closure

July 5, 2016 6th IASIM Conference

Spatial information?

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

Spectral
properties

July 5, 2016 6th IASIM Conference

Individual
pixels

Spectral-spatial
constraint

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

Image spatial features:

- Color
- Size
- Shape
- Texture

July 5, 2016 6th IASIM Conference

- Multivariate Curve Resolution Alternating Least Squares -

?
Global image
properties

Image
processing

July 5, 2016 6th IASIM Conference

Spatial information
S(x,y)

- Multivariate Curve Resolution Alternating Least Squares -

Refolding/unfolding:
Individual component
distribution maps within ALS

Hugelier et al. (2015a)

July 5, 2016 6th IASIM Conference

Restores spatial information

Allows applying image processing constraints
at the component level in a map-wise way

Outline

Motivation
Constraints
Results & Discussion
Conclusion
Colloque - Date

- Hyperspectral Imaging MCR-ALS Image processing and image modelling approaches can be implemented as
spatial constraints on distribution maps:
Spatial smoothness
Spatial segmentation
Spatial model-fitting (deconvolution)
Spatial correlation
Spatial filtering

July 5, 2016 6th IASIM Conference

- Hyperspectral Imaging MCR-ALS Image processing and image modelling approaches can be implemented as
spatial constraints on distribution maps:
Spatial smoothness
Spatial segmentation
Spatial model-fitting (deconvolution)
Spatial correlation
Spatial filtering

July 5, 2016 6th IASIM Conference

- Hyperspectral Imaging MCR-ALS Image processing and image modelling approaches can be implemented as
spatial constraints on distribution maps:
Spatial correlation / smoothness

Ci BAB

Ci BAB D A F D' A F
Spatial model-fitting (deconvolution)

Ci f ( x , y )

e.g.: f ( x, y ) Ae

Hugelier et al. J. Chemometrics (2015a)

July 5, 2016 6th IASIM Conference

2
x x
y ycenter 2
center

2 x2
2 y2

Outline

Motivation
Constraints
Results & Discussion
Conclusion
Colloque - Date

- Two-component toy example -

1. Low frequency component centered on

the map
2. High frequency component scattered
over the map

July 5, 2016 6th IASIM Conference

- Two-component toy example -

Simulated

MCR-ALS
with
Non-negativity

July 5, 2016 6th IASIM Conference

- Two-component toy example -

Simulated

MCR-ALS
with
Non-negativity

The pure spectrum of the low frequency

component can be obtained
The concentration profile of the low
frequency component cannot be obtained
R. Manne, Chemolab (1995)

July 5, 2016 6th IASIM Conference

- Two-component toy example -

Simulated

MCR-ALS
with
Non-negativity

MCR-ALS
with
Non-negativity
Smoothness on C1

July 5, 2016 6th IASIM Conference

- Two-component toy example -

Simulated

MCR-ALS
with
Non-negativity

MCR-ALS
with
Non-negativity
Smoothness on C1

MCR-ALS
with
Non-negativity
Hard model on C1

July 5, 2016 6th IASIM Conference

- A case study: oil-in-water emulsion 3000

Intensity (a.u.)

2500
2000
1500
1000
500
0
50

MCR-ALS
with
Non-negativity

Lack of fit: 7,76 %

July 5, 2016 6th IASIM Conference

100
150
Spectral index (a.u.)

200

250

Data shows components that are clearly

continuous in nature
Model incorporating spatial correlation
across the surface is preferred

- A case study: oil-in-water emulsion 3000

Intensity (a.u.)

2500
2000
1500
1000
500
0
50

MCR-ALS
with
Non-negativity

100
150
Spectral index (a.u.)

200

250

C2

Lack of fit: 7,76 %

MCR-ALS
with
Non-negativity
+
Spatial correlation
Lack of fit: 8,24 %

July 5, 2016 6th IASIM Conference

- A case study 2: pharmaceutical mixture Absorbance (a.u.)

1.5
1.25
1
0.75
0.5
0.25
0

MCR-ALS
with
Non-negativity

Lack of fit: 7,90 %

July 5, 2016 6th IASIM Conference

800

1000
1200
1400
-1
Wavenumber (cm )

1600

3 components: citric acid, aspirin,

caffeine
Pre-processing: P-spline
smoothing and baseline removal

Component distributions scattered across the

component distribution map.
Pattern of minor components in unstructured
powdered samples is expected to have localized
zones of presence and absence

- A case study 2: pharmaceutical mixture Absorbance (a.u.)

1.5
1.25
1
0.75
0.5
0.25
0

MCR-ALS
with
Non-negativity

800

1000
1200
1400
-1
Wavenumber (cm )

1600

3 components: citric acid, aspirin,

caffeine
Pre-processing: P-spline
smoothing and baseline removal

C2

Lack of fit: 7,90 %

MCR-ALS
with
Non-negativity
+
Image fitting
Lack of fit: 8,87 %

July 5, 2016 6th IASIM Conference

Outline

Motivation
Constraints
Results & Discussion
Conclusion
Colloque - Date

- Conclusions -

I(x,y)

July 5, 2016 6th IASIM Conference

T[I(x,y)]

f(T[I(x,y)])

T-1

I(x,y)cons

THANK YOU FOR YOUR ATTENTION

Colloque - Date