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An introduction to data assimilation Eric Blayo University of Grenoble and INRIA

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Page 1: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

An introductionto data assimilation

Eric BlayoUniversity of Grenoble and INRIA

Page 2: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Data assimilation, the science of compromisesContext characterizing a (complex) system and/or forecasting its

evolution, given several heterogeneous and uncertainsources of information

Widely used for geophysical fluids (meteorology, oceanography,atmospheric chemistry. . . ), but also in other numerousdomains (e.g. nuclear energy, medicine, agricultureplanning. . . )

Closely linked to inverse methods, control theory, estimation theory,filtering. . .

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Page 3: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

A daily example: numerical weather forecast

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Page 4: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Data assimilation, the science of compromises

Numerous possible aims:I Forecast: estimation of the present state (initial condition)I Model tuning: parameter estimationI Inverse modeling: estimation of parameter fieldsI Data analysis: re-analysis (model = interpolation operator)I OSSE: optimization of observing systemsI . . .

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Page 5: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Objectives for this lecture

I introduce data assimilation from several points of viewI give an overview of the main families of methodsI point out the main difficulties and current corresponding answers

Outline1. Data assimilation for dummies: a simple model problem2. Generalization: linear estimation theory, variational and sequential

approaches3. Main current challenges

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 5/58

Page 6: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Objectives for this lecture

I introduce data assimilation from several points of viewI give an overview of the main families of methodsI point out the main difficulties and current corresponding answers

Outline1. Data assimilation for dummies: a simple model problem2. Generalization: linear estimation theory, variational and sequential

approaches3. Main current challenges

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 5/58

Page 7: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Some references

1. Blayo E. and M. Nodet, 2012: Introduction a l’assimilation de donnees variationnelle. Lecture notes forUJF Master course on data assimilation.https://team.inria.fr/moise/files/2012/03/Methodes-Inverses-Var-M2-math-2009.pdf

2. Bocquet M., 2014 : Introduction aux principes et methodes de l’assimilation de donnees en geophysique.Lecture notes for ENSTA - ENPC data assimilation course.http://cerea.enpc.fr/HomePages/bocquet/Doc/assim-mb.pdf

3. Bocquet M., E. Cosme and E. Blayo (Eds.), 2014: Advanced Data Assimilation for Geosciences.Oxford University Press.

4. Bouttier F. and P. Courtier, 1999: Data assimilation, concepts and methods. Meteorological trainingcourse lecture series ECMWF, European Center for Medium range Weather Forecast, Reading, UK.http://www.ecmwf.int/newsevents/training/rcourse notes/DATA ASSIMILATION/

ASSIM CONCEPTS/Assim concepts21.html

5. Cohn S., 1997: An introduction to estimation theory. Journal of the Meteorological Society of Japan, 75,257-288.

6. Daley R., 1993: Atmospheric data analysis. Cambridge University Press.7. Evensen G., 2009: Data assimilation, the ensemble Kalman filter. Springer.8. Kalnay E., 2003: Atmospheric modeling, data assimilation and predictability. Cambridge University Press.9. Lahoz W., B. Khattatov and R. Menard (Eds.), 2010: Data assimilation. Springer.

10. Rodgers C., 2000: Inverse methods for atmospheric sounding. World Scientific, Series on AtmosphericOceanic and Planetary Physics.

11. Tarantola A., 2005: Inverse problem theory and methods for model parameter estimation. SIAM.http://www.ipgp.fr/~tarantola/Files/Professional/Books/InverseProblemTheory.pdf

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Page 8: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

A simple but fundamentalexample

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Page 9: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: least squares approach

Two different available measurements of a single quantity. Whichestimation for its true value ? −→ least squares approach

Example 2 obs y1 = 19◦C and y2 = 21◦C of the (unknown) presenttemperature x .

I Let J(x) = 12[(x − y1)

2 + (x − y2)2]

I Minx J(x) −→ x =y1 + y2

2 = 20◦C

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 8/58

Page 10: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: least squares approach

Two different available measurements of a single quantity. Whichestimation for its true value ? −→ least squares approach

Example 2 obs y1 = 19◦C and y2 = 21◦C of the (unknown) presenttemperature x .

I Let J(x) = 12[(x − y1)

2 + (x − y2)2]

I Minx J(x) −→ x =y1 + y2

2 = 20◦C

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 8/58

Page 11: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: least squares approachObservation operator If 6= units: y1 = 66.2◦F and y2 = 69.8◦F

I Let H(x) = 95 x + 32

I Let J(x) = 12[(H(x)− y1)

2 + (H(x)− y2)2]

I Minx J(x) −→ x = 20◦C

Drawback # 1: if observation units are inhomogeneousy1 = 66.2◦F and y2 = 21◦C

I J(x) = 12[(H(x)− y1)

2 + (x − y2)2] −→ x = 19.47◦C !!

Drawback # 2: if observation accuracies are inhomogeneousIf y1 is twice more accurate than y2, one should obtain x =

2y1 + y23 = 19.67◦C

−→ J should be J(x) = 12

[(x − y1

1/2

)2+

(x − y2

1

)2]

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 9/58

Page 12: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: least squares approachObservation operator If 6= units: y1 = 66.2◦F and y2 = 69.8◦F

I Let H(x) = 95 x + 32

I Let J(x) = 12[(H(x)− y1)

2 + (H(x)− y2)2]

I Minx J(x) −→ x = 20◦C

Drawback # 1: if observation units are inhomogeneousy1 = 66.2◦F and y2 = 21◦C

I J(x) = 12[(H(x)− y1)

2 + (x − y2)2] −→ x = 19.47◦C !!

Drawback # 2: if observation accuracies are inhomogeneousIf y1 is twice more accurate than y2, one should obtain x =

2y1 + y23 = 19.67◦C

−→ J should be J(x) = 12

[(x − y1

1/2

)2+

(x − y2

1

)2]

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 9/58

Page 13: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: least squares approachObservation operator If 6= units: y1 = 66.2◦F and y2 = 69.8◦F

I Let H(x) = 95 x + 32

I Let J(x) = 12[(H(x)− y1)

2 + (H(x)− y2)2]

I Minx J(x) −→ x = 20◦C

Drawback # 1: if observation units are inhomogeneousy1 = 66.2◦F and y2 = 21◦C

I J(x) = 12[(H(x)− y1)

2 + (x − y2)2] −→ x = 19.47◦C !!

Drawback # 2: if observation accuracies are inhomogeneousIf y1 is twice more accurate than y2, one should obtain x =

2y1 + y23 = 19.67◦C

−→ J should be J(x) = 12

[(x − y1

1/2

)2+

(x − y2

1

)2]

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 9/58

Page 14: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Reformulation in a probabilistic framework:I the goal is to estimate a scalar value x

I yi is a realization of a random variable Yi

I One is looking for an estimator (i.e. a r.v.) X that isI linear: X = α1Y1 + α2Y2 (in order to be simple)I unbiased: E (X ) = x (it seems reasonable)I of minimal variance: Var(X ) minimum (optimal accuracy)

−→ BLUE (Best Linear Unbiased Estimator)

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Page 15: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Let Yi = x + εi with

HypothesesI E (εi) = 0 (i = 1, 2) unbiased measurement devicesI Var(εi) = σ2

i (i = 1, 2) known accuraciesI Cov(ε1, ε2) = 0 independent measurement errors

Then, since X = α1Y1 + α2Y2 = (α1 + α2)x + α1ε1 + α2ε2 :I E (X ) = (α1 + α2)x + α1E (ε1) + α2E (ε2) =⇒ α1 + α2 = 1I Var(X ) = E

[(X − x)2

]= E

[(α1ε1 + α2ε2)

2] = α21σ

21 +(1−α1)

2σ22

∂α1= 0 =⇒ α1 =

σ22

σ21 + σ2

2

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Page 16: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Let Yi = x + εi with

HypothesesI E (εi) = 0 (i = 1, 2) unbiased measurement devicesI Var(εi) = σ2

i (i = 1, 2) known accuraciesI Cov(ε1, ε2) = 0 independent measurement errors

Then, since X = α1Y1 + α2Y2 = (α1 + α2)x + α1ε1 + α2ε2 :I E (X ) = (α1 + α2)x + α1E (ε1) + α2E (ε2) =⇒ α1 + α2 = 1

I Var(X ) = E[(X − x)2

]= E

[(α1ε1 + α2ε2)

2] = α21σ

21 +(1−α1)

2σ22

∂α1= 0 =⇒ α1 =

σ22

σ21 + σ2

2

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Page 17: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Let Yi = x + εi with

HypothesesI E (εi) = 0 (i = 1, 2) unbiased measurement devicesI Var(εi) = σ2

i (i = 1, 2) known accuraciesI Cov(ε1, ε2) = 0 independent measurement errors

Then, since X = α1Y1 + α2Y2 = (α1 + α2)x + α1ε1 + α2ε2 :I E (X ) = (α1 + α2)x + α1E (ε1) + α2E (ε2) =⇒ α1 + α2 = 1I Var(X ) = E

[(X − x)2

]= E

[(α1ε1 + α2ε2)

2] = α21σ

21 +(1−α1)

2σ22

∂α1= 0 =⇒ α1 =

σ22

σ21 + σ2

2

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 11/58

Page 18: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approachIn summary:

BLUE

X =

1σ2

1Y1 +

1σ2

2Y2

1σ2

1+

1σ2

2

Its accuracy:[Var(X )

]−1=

1σ2

1+

1σ2

2accuracies are added

Remarks:I The hypothesis Cov(ε1, ε2) = 0 is not compulsory at all.

Cov(ε1, ε2) = c −→ αi =σ2

j −cσ2

1+σ22−2c

I Statistical hypotheses on the two first moments of ε1, ε2 lead tostatistical results on the two first moments of X .

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Page 19: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approachIn summary:

BLUE

X =

1σ2

1Y1 +

1σ2

2Y2

1σ2

1+

1σ2

2

Its accuracy:[Var(X )

]−1=

1σ2

1+

1σ2

2accuracies are added

Remarks:I The hypothesis Cov(ε1, ε2) = 0 is not compulsory at all.

Cov(ε1, ε2) = c −→ αi =σ2

j −cσ2

1+σ22−2c

I Statistical hypotheses on the two first moments of ε1, ε2 lead tostatistical results on the two first moments of X .

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Page 20: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Variational equivalenceThis is equivalent to the problem:

Minimize J(x) = 12

[(x − y1)

2

σ21

+(x − y2)

2

σ22

]

Remarks:I This answers the previous problems of sensitivity to inhomogeneous

units and insensitivity to inhomogeneous accuraciesI This gives a rationale for choosing the norm for defining J

I J ′′(x)︸ ︷︷ ︸convexity

=1σ2

1+

1σ2

2= [Var(x)]−1︸ ︷︷ ︸

accuracy

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Page 21: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: statistical approach

Variational equivalenceThis is equivalent to the problem:

Minimize J(x) = 12

[(x − y1)

2

σ21

+(x − y2)

2

σ22

]

Remarks:I This answers the previous problems of sensitivity to inhomogeneous

units and insensitivity to inhomogeneous accuraciesI This gives a rationale for choosing the norm for defining J

I J ′′(x)︸ ︷︷ ︸convexity

=1σ2

1+

1σ2

2= [Var(x)]−1︸ ︷︷ ︸

accuracy

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Page 22: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem

Alternative formulation: background + observation

If one considers that y1 is a prior (or background) estimate xb for x , andy2 = y is an independent observation, then:

J(x) = 12(x − xb)

2

σ2b︸ ︷︷ ︸

Jb

+12(x − y)2

σ2o︸ ︷︷ ︸

Jo

and

x =

1σ2

bxb +

1σ2

oy

1σ2

b+

1σ2

o

= xb +σ2

bσ2

b + σ2o︸ ︷︷ ︸

gain

(y − xb)︸ ︷︷ ︸innovation

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Page 23: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem

Interpretation

If the background error and the observationerror are uncorrelated: E (eoeb) = 0, thenone can show that the estimation error andthe innovation are uncorrelated:

E (ea(Y − Xb)) = 0

→ orthogonal projection for the scalar prod-uct < Z1,Z2 >= E (Z1Z2)

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Page 24: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: Bayesian approachOne can also consider x as a realization of a r.v. X , and be interested inthe pdf p(X |Y ).

Several optimality criteriaI minimum variance: XMV such that the spread around it is minimal

−→ XMV = E (X |Y )

I maximum a posteriori: most probable value of X given Y−→ XMAP such that ∂p(X |Y )

∂X = 0

I maximum likelihood: XML that maximizes p(Y |X )

I Based on the Bayes rule:P(X = x |Y = y) = P(Y = y |X = x)P(X = x)

P(Y = y)I requires additional hypotheses on prior pdf for X and for Y |XI In the Gaussian case, these estimations coincide with the BLUE

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Page 25: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: Bayesian approach

Back to our example: observations y1 and y2 of an unknown value x .

The simplest approach: maximum likelihood (no prior on X )

Hypotheses:I Yi ↪→ N (X , σ2

i ) unbiased, known accuracies + known pdfI Cov(Y1,Y2) = 0 independent measurement errors

Likelihood function: L(x) = dP(Y1 = y1 and Y2 = y2 |X = x)

One is looking for xML = Argmax L(x) maximum likelihood estimation

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Page 26: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: Bayesian approach

L(x) =2∏

i=1dP(Yi = yi |X = x) =

2∏i=1

1√2π σi

e− (yi −x)2

2σ2i

Argmax L(x) = Argmin (− lnL(x))

= Argmin 12

[(x − y1)

2

σ21

+(x − y2)

2

σ22

]

Hence xML =

1σ2

1y1 +

1σ2

2y2

1σ2

1+

1σ2

2

BLUE again(because of Gaussian hypothesis)

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 18/58

Page 27: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: synthesis

Data assimilation methods are often split into two families: variationalmethods and statistical methods.

I Variational methods: minimization of a cost function (least squaresapproach)

I Statistical methods: algebraic computation of the BLUE (withhypotheses on the first two moments), or approximation of pdfs (withhypotheses on the pdfs) and computation of the MAP estimator

I There are strong links between those approaches, depending on thecase (linear ? Gaussian ?)

TheoremIf you have understood this previous stuff, you have (almost) understoodeverything on data assimilation.

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 19/58

Page 28: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Model problem: synthesis

Data assimilation methods are often split into two families: variationalmethods and statistical methods.

I Variational methods: minimization of a cost function (least squaresapproach)

I Statistical methods: algebraic computation of the BLUE (withhypotheses on the first two moments), or approximation of pdfs (withhypotheses on the pdfs) and computation of the MAP estimator

I There are strong links between those approaches, depending on thecase (linear ? Gaussian ?)

TheoremIf you have understood this previous stuff, you have (almost) understoodeverything on data assimilation.

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 19/58

Page 29: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization:variational approach

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Page 30: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization: arbitrary number of unknowns and observations

To be estimated: x =

x1...

xn

∈ IRn

Observations: y =

y1...

yp

∈ IRp

Observation operator: y ≡ H(x), with H : IRn −→ IRp

E. Blayo - An introduction to data assimilation Formation Modelisation ECCOREV 21/58

Page 31: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization: arbitrary number of unknowns and observations

A simple example of observation operator

If x =

x1x2x3x4

and y =

(an observation of x1+x2

2an observation of x4

)

then H(x) = Hx with H =

12

12 0 0

0 0 0 1

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Page 32: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization: arbitrary number of unknowns and observations

To be estimated: x =

x1...

xn

∈ IRn

Observations: y =

y1...

yp

∈ IRp

Observation operator: y ≡ H(x), with H : IRn −→ IRp

Cost function: J(x) = 12 ‖H(x)− y‖2 with ‖.‖ to be chosen.

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Page 33: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Reminder: norms and scalar products

u =

u1...

un

∈ IRn

� Euclidian norm: ‖u‖2 = uT u =n∑

i=1u2

i

Associated scalar product: (u, v) = uT v =n∑

i=1ui vi

� Generalized norm: let M a symmetric positive definite matrix

M-norm: ‖u‖2M = uT M u =

n∑i=1

n∑j=1

mij ui uj

Associated scalar product: (u, v)M = uT M v =n∑

i=1

n∑j=1

mij ui vj

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Page 34: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization: arbitrary number of unknowns and observations

To be estimated: x =

x1...

xn

∈ IRn

Observations: y =

y1...

yp

∈ IRp

Observation operator: y ≡ H(x), with H : IRn −→ IRp

Cost function: J(x) = 12 ‖H(x)− y‖2 with ‖.‖ to be chosen.

Remark(Intuitive) necessary (but not sufficient) condition for the existence of aunique minimum:

p ≥ n

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Page 35: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Generalization: arbitrary number of unknowns and observations

To be estimated: x =

x1...

xn

∈ IRn

Observations: y =

y1...

yp

∈ IRp

Observation operator: y ≡ H(x), with H : IRn −→ IRp

Cost function: J(x) = 12 ‖H(x)− y‖2 with ‖.‖ to be chosen.

Remark(Intuitive) necessary (but not sufficient) condition for the existence of aunique minimum:

p ≥ n

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Formalism “background value + new observations”

z =

(xby

)←− background←− new observations

The cost function becomes:

J(x) = 12 ‖x− xb‖2

b︸ ︷︷ ︸Jb

+12 ‖H(x)− y‖2

o︸ ︷︷ ︸Jo

The necessary condition for the existence of a unique minimum (p ≥ n)is automatically fulfilled.

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Page 37: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Formalism “background value + new observations”

z =

(xby

)←− background←− new observations

The cost function becomes:

J(x) = 12 ‖x− xb‖2

b︸ ︷︷ ︸Jb

+12 ‖H(x)− y‖2

o︸ ︷︷ ︸Jo

The necessary condition for the existence of a unique minimum (p ≥ n)is automatically fulfilled.

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If the problem is time dependent

I Observations are distributed in time: y = y(t)

I The observation cost function becomes:

Jo(x) =12

N∑i=0‖Hi(x(ti))− y(ti)‖2

o

I There is a model describing the evolution of x: dxdt = M(x) with

x(t = 0) = x0. Then J is often no longer minimized w.r.t. x, butw.r.t. x0 only, or to some other parameters.

Jo(x0) =12

N∑i=0‖Hi(x(ti))− y(ti)‖2

o =12

N∑i=0‖Hi(M0→ti (x0))− y(ti)‖2

o

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If the problem is time dependent

I Observations are distributed in time: y = y(t)

I The observation cost function becomes:

Jo(x) =12

N∑i=0‖Hi(x(ti))− y(ti)‖2

o

I There is a model describing the evolution of x: dxdt = M(x) with

x(t = 0) = x0. Then J is often no longer minimized w.r.t. x, butw.r.t. x0 only, or to some other parameters.

Jo(x0) =12

N∑i=0‖Hi(x(ti))− y(ti)‖2

o =12

N∑i=0‖Hi(M0→ti (x0))− y(ti)‖2

o

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If the problem is time dependent

J(x0) =12 ‖x0 − xb

0‖2b︸ ︷︷ ︸

background term Jb

+12

N∑i=0‖Hi(x(ti))− y(ti)‖2

o︸ ︷︷ ︸observation term Jo

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and M are linear then Jo is quadratic.

I However Jo generally does not have a unique minimum, since thenumber of observations is generally less than the size of x0 (theproblem is underdetermined: p < n).

Example: let (x t1 , x t

2) = (1, 1) and y = 1.1 an observa-tion of 1

2 (x1 + x2).

Jo(x1, x2) =12

(x1 + x2

2− 1.1

)2

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and M are linear then Jo is quadratic.I However Jo generally does not have a unique minimum, since the

number of observations is generally less than the size of x0 (theproblem is underdetermined: p < n).

Example: let (x t1 , x t

2) = (1, 1) and y = 1.1 an observa-tion of 1

2 (x1 + x2).

Jo(x1, x2) =12

(x1 + x2

2− 1.1

)2

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and M are linear then Jo is quadratic.I However it generally does not have a unique minimum, since the

number of observations is generally less than the size of x0 (theproblem is underdetermined).

I Adding Jb makes the problem of minimizing J = Jo + Jb well posed.

Example: let (x t1 , x t

2) = (1, 1) and y = 1.1 an observa-tion of 1

2 (x1 + x2). Let (xb1 , xb

2 ) = (0.9, 1.05)

J(x1, x2) =12

(x1 + x2

2− 1.1

)2

︸ ︷︷ ︸Jo

+12[(x1 − 0.9)2 + (x2 − 1.05)2]︸ ︷︷ ︸

Jb

−→ (x∗1 , x∗2 ) = (0.94166..., 1.09166...)

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and/or M are nonlinear then Jo is no longer quadratic.

Example: the Lorenz system (1963)

dxdt = α(y − x)

dydt = βx − y − xz

dzdt = −γz + xy

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and/or M are nonlinear then Jo is no longer quadratic.

Example: the Lorenz system (1963)

dxdt = α(y − x)

dydt = βx − y − xz

dzdt = −γz + xy

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http://www.chaos-math.org

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Uniqueness of the minimum ?J(x0) = Jb(x0)+Jo(x0) =

12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and/or M are nonlinear then Jo is no longer quadratic.

Example: the Lorenz system (1963)

dxdt = α(y − x)

dydt = βx − y − xz

dzdt = −γz + xy

Jo(y0) =12

N∑i=0

(x(ti)− xobs(ti))2 dt

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and/or M are nonlinear then Jo is no longer quadratic.

I Adding Jb makes it “more quadratic” (Jb is a regularization term),but J = Jo + Jb may however have several local minima.

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Uniqueness of the minimum ?

J(x0) = Jb(x0)+Jo(x0) =12 ‖x0−xb‖2

b +12

N∑i=0‖Hi(M0→ti (x0))−y(ti)‖2

o

I If H and/or M are nonlinear then Jo is no longer quadratic.

I Adding Jb makes it “more quadratic” (Jb is a regularization term),but J = Jo + Jb may however have several local minima.

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A fundamental remark before going into minimizationaspects

Once J is defined (i.e. once all the ingredients are chosen: controlvariables, norms, observations. . . ), the problem is entirely defined. Henceits solution.

The “physical” (i.e. the most important) part of dataassimilation lies in the definition of J .

The rest of the job, i.e. minimizing J , is “only” technical work.

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Minimizing JJ(x) = Jb(x) + Jo(x)

=12 (x− xb)

T B−1(x− xb) +12 (Hx− y)T R−1(Hx− y)

Optimal estimation in the linear case

x = xb + (B−1 + HT R−1H)−1HT R−1︸ ︷︷ ︸gain matrix

(y−Hxb)︸ ︷︷ ︸innovation vector

Given the size of n and p, it is generally impossible to handle explicitly H,B and R. So the direct computation of the gain matrix is impossible.

� even in the linear case (for which we have an explicit expression for x),the computation of x is performed using an optimization algorithm.

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Minimizing JJ(x) = Jb(x) + Jo(x)

=12 (x− xb)

T B−1(x− xb) +12 (Hx− y)T R−1(Hx− y)

Optimal estimation in the linear case

x = xb + (B−1 + HT R−1H)−1HT R−1︸ ︷︷ ︸gain matrix

(y−Hxb)︸ ︷︷ ︸innovation vector

Given the size of n and p, it is generally impossible to handle explicitly H,B and R. So the direct computation of the gain matrix is impossible.

� even in the linear case (for which we have an explicit expression for x),the computation of x is performed using an optimization algorithm.

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Minimizing J : descent methods

Descent methods for minimizing the cost function require the knowledgeof (an estimate of) its gradient.

xk+1 = xk + αk dk

with dk =

−∇J(xk) gradient method− [Hess(J)(xk)]

−1∇J(xk) Newton method−Bk ∇J(xk) quasi-Newton methods (BFGS, . . . )−∇J(xk) +

‖∇J(xk )‖2

‖∇J(xk−1)‖2 dk−1 conjugate gradient... ...

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Getting the gradient is not obvious

It is often difficult (or even impossible) to obtain the gradient throughthe computation of growth rates.

Example:{ dx(t))dt = M(x(t)) t ∈ [0,T ]

x(t = 0) = uwith u =

u1...

uN

J(u) = 1

2

∫ T

0‖x(t)− xobs(t)‖2 −→ requires one model run

∇J(u) =

∂J∂u1

(u)...

∂J∂uN

(u)

' [J(u + α e1)− J(u)] /α

...[J(u + α eN)− J(u)] /α

−→ N + 1 model runs

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Getting the gradient is not obvious

In actual applications like meteorology / oceanography,N = [u] = O(106 − 109) −→ this method cannot be used.

Alternatively, the adjoint method provides a very efficient way tocompute ∇J .

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Example: an adjoint for the Burgers’ equation∂u∂t + u ∂u

∂x − ν∂2u∂x2 = f x ∈]0, L[, t ∈ [0,T ]

u(0, t) = ψ1(t) u(L, t) = ψ2(t) t ∈ [0,T ]u(x , 0) = u0(x) x ∈ [0, L]

I uobs(x , t) an observation of u(x , t)

I Cost function: J(u0) =12

∫ T

0

∫ L

0

(u(x , t)− uobs(x , t)

)2 dx dt

Adjoint model∂p∂t + u ∂p

∂x + ν∂2p∂x2 = u − uobs x ∈]0, L[, t ∈ [0,T ]

p(0, t) = 0 p(L, t) = 0 t ∈ [0,T ]p(x ,T ) = 0 x ∈ [0, L] final condition !! → backward integration

Gradient of J∇J = −p(., 0) function of x

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Example: an adjoint for the Burgers’ equation∂u∂t + u ∂u

∂x − ν∂2u∂x2 = f x ∈]0, L[, t ∈ [0,T ]

u(0, t) = ψ1(t) u(L, t) = ψ2(t) t ∈ [0,T ]u(x , 0) = u0(x) x ∈ [0, L]

I uobs(x , t) an observation of u(x , t)

I Cost function: J(u0) =12

∫ T

0

∫ L

0

(u(x , t)− uobs(x , t)

)2 dx dt

Adjoint model∂p∂t + u ∂p

∂x + ν∂2p∂x2 = u − uobs x ∈]0, L[, t ∈ [0,T ]

p(0, t) = 0 p(L, t) = 0 t ∈ [0,T ]p(x ,T ) = 0 x ∈ [0, L] final condition !! → backward integration

Gradient of J∇J = −p(., 0) function of x

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Getting the gradient is not obviousIn actual applications like meteorology / oceanography,N = [u] = O(106 − 109) −→ this method cannot be used.

Alternatively, the adjoint method provides a very efficient way tocompute ∇J .

It requires writing a tangent linear code and an adjoint code (beyond thescope of this lecture):

I obeys systematic rulesI is not the most interesting task you can imagineI there exists automatic differentiation softwares:−→ cf http://www.autodiff.org

On the contrary, do not forget that, if the size of thecontrol variable is very small (< 10), ∇J can be easilyestimated by the computation of growth rates.

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Page 59: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Getting the gradient is not obviousIn actual applications like meteorology / oceanography,N = [u] = O(106 − 109) −→ this method cannot be used.

Alternatively, the adjoint method provides a very efficient way tocompute ∇J .

It requires writing a tangent linear code and an adjoint code (beyond thescope of this lecture):

I obeys systematic rulesI is not the most interesting task you can imagineI there exists automatic differentiation softwares:−→ cf http://www.autodiff.org

On the contrary, do not forget that, if the size of thecontrol variable is very small (< 10), ∇J can be easilyestimated by the computation of growth rates.

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Generalization:statistical approach

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Generalization: statistical approach

To be estimated: x =

x1...

xn

∈ IRn Observations: y =

y1...

yp

∈ IRp

Observation operator: y ≡ H(x), with H : IRn −→ IRp

Statistical framework:I y is a realization of a random vector Y

I One is looking for the BLUE, i.e. a r.v. X that isI linear: X = AY with size(A) = (n, p)I unbiased: E (X) = xI of minimal variance:

Var(X) =n∑

i=1Var(Xi) = Tr(Cov(X)) minimum

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Generalization: statistical approachHypotheses

I Linear observation operator: H(x) = HxI Let Y = Hx + ε with ε random vector in IRp

I E (ε) = 0 unbiased measurement devicesI Cov(ε) = E (εεT ) = R known accuracies and covariances

BLUEX = (HT R−1H)−1HT R−1Y with Cov(X) = (HT R−1H)−1

Reminder: variational approach in the linear case

Jo(x) =12 ‖Hx− y‖2

o =12 (Hx− y)T R−1(Hx− y)

minx∈IRn

Jo(x) −→ x = (HT R−1H)−1HT R−1 y

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Generalization: statistical approachHypotheses

I Linear observation operator: H(x) = HxI Let Y = Hx + ε with ε random vector in IRp

I E (ε) = 0 unbiased measurement devicesI Cov(ε) = E (εεT ) = R known accuracies and covariances

BLUEX = (HT R−1H)−1HT R−1Y with Cov(X) = (HT R−1H)−1

Reminder: variational approach in the linear case

Jo(x) =12 ‖Hx− y‖2

o =12 (Hx− y)T R−1(Hx− y)

minx∈IRn

Jo(x) −→ x = (HT R−1H)−1HT R−1 y

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Generalization: statistical approachHypotheses

I Linear observation operator: H(x) = HxI Let Y = Hx + ε with ε random vector in IRp

I E (ε) = 0 unbiased measurement devicesI Cov(ε) = E (εεT ) = R known accuracies and covariances

BLUEX = (HT R−1H)−1HT R−1Y with Cov(X) = (HT R−1H)−1

Reminder: variational approach in the linear case

Jo(x) =12 ‖Hx− y‖2

o =12 (Hx− y)T R−1(Hx− y)

minx∈IRn

Jo(x) −→ x = (HT R−1H)−1HT R−1 y

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Formalism “background value + new observations”Background: Xb = x + εb and new observations: Y = Hx + εo

Hypotheses:I E (εb) = 0 unbiased backgroundI E (εo) = 0 unbiased measurement devicesI Cov(εb, εo) = 0 independent background and observation errorsI Cov(εb) = B et Cov(εo) = R known accuracies and covariances

BLUEX = Xb + (B−1 + HT R−1H)−1HT R−1︸ ︷︷ ︸

gain matrix

(Y−HXb)︸ ︷︷ ︸innovation vector

with[Cov(X)

]−1= B−1 + HT R−1H accuracies are added

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Link with the variational approachStatistical approach: BLUE

X = Xb + (B−1 + HT R−1H)−1HT R−1(Y−HXb)

with Cov(X) = (B−1 + HT R−1H)−1

Variational approach in the linear caseJ(x) =

12 ‖x− xb‖2

b +12 ‖H(x)− y‖2

o

=12 (x− xb)

T B−1(x− xb) +12 (Hx− y)T R−1(Hx− y)

minx∈IRn

J(x) −→ x = xb + (B−1 + HT R−1H)−1HT R−1 (y−Hxb)

Same remarks as previouslyI The statistical approach rationalizes the choice of the norms for Jo and Jb

in the variational approach.

I[Cov(X)

]−1

︸ ︷︷ ︸accuracy

= B−1 + HT R−1H = Hess(J)︸ ︷︷ ︸convexity

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Link with the variational approachStatistical approach: BLUE

X = Xb + (B−1 + HT R−1H)−1HT R−1(Y−HXb)

with Cov(X) = (B−1 + HT R−1H)−1

Variational approach in the linear caseJ(x) =

12 ‖x− xb‖2

b +12 ‖H(x)− y‖2

o

=12 (x− xb)

T B−1(x− xb) +12 (Hx− y)T R−1(Hx− y)

minx∈IRn

J(x) −→ x = xb + (B−1 + HT R−1H)−1HT R−1 (y−Hxb)

Same remarks as previouslyI The statistical approach rationalizes the choice of the norms for Jo and Jb

in the variational approach.

I[Cov(X)

]−1

︸ ︷︷ ︸accuracy

= B−1 + HT R−1H = Hess(J)︸ ︷︷ ︸convexity

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If the problem is time dependentDynamical system: xt(tk+1) = M(tk , tk+1)xt(tk) + e(tk)

I xt(tk) true state at time tk

I M(tk , tk+1) model assumed linear between tk and tk+1

I e(tk) model error at time tk

At every observation time tk , we have an observation yk and a modelforecast xf (tk). The BLUE can be applied:

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If the problem is time dependent

xt(tk+1) = M(tk , tk+1) xt(tk) + e(tk)

HypothesesI e(tk) is unbiased, with covariance matrix QkI e(tk) and e(tl) are independent (k 6= l)I Unbiased observation yk , with error covariance matrix RkI e(tk) and analysis error xa(tk)− xt(tk) are independent

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If the problem is time dependentKalman filter (Kalman and Bucy, 1961)

Initialization: xa(t0) = x0 approximate initial statePa(t0) = P0 error covariance matrix

Step k: (prediction - correction, or forecast - analysis)

xf (tk+1) = M(tk , tk+1) xa(tk) ForecastPf (tk+1) = M(tk , tk+1)Pa(tk)MT (tk , tk+1) + Qk

xa(tk+1) = xf (tk+1) + Kk+1[yk+1 −Hk+1xf (tk+1)

]BLUE

Kk+1 = Pf (tk+1)HTk+1

[Hk+1Pf (tk+1)HT

k+1 + Rk+1]−1

Pa(tk+1) = Pf (tk+1)−Kk+1Hk+1Pf (tk+1)

where exponents f and a stand respectively for forecast and analysis.

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If the problem is time dependentEquivalence with the variational approachIf Hk and M(tk , tk+1) are linear, and if the model is perfect (ek = 0),then the Kalman filter and the variational method minimizing

J(x) =12(x− x0)

T P−10 (x− x0) +

12

N∑k=0

(HkM(t0, tk)x− yk)T R−1

k (HkM(t0, tk)x− yk)

lead to the same solution at t = tN .

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In summary

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In summaryvariational approach least squares minimization (non dimensional terms)

I no particular hypothesisI either for stationary or time dependent problemsI If M and H are linear, the cost function is quadratic:

a unique solution if p ≥ nI Adding a background term ensures this property.I If things are non linear, the approach is still valid.

Possibly several minima

statistical approachI hypotheses on the first two momentsI time independent + H linear + p ≥ n: BLUE (first

two moments)I time dependent + M and H linear: Kalman filter

(based on the BLUE)

I hypotheses on the pdfs: Bayesian approach (pdf) +ML or MAP estimator

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In summary

The statistical approach gives a rationale for the choice of the norms, andgives an estimation of the uncertainty.

time independent problems if H is linear, the variational and thestatistical approaches lead to the same solution (provided‖.‖b is based on B−1 and ‖.‖o is based on R−1)

time dependent problems if H and M are linear, if the model is perfect,both approaches lead to the same solution at final time.

4D-Var Kalman filter

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To go further...

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Page 76: An introduction to data assimilation - ECCOREV · Data assimilation, the science of compromises Numerous possible aims: I Forecast: estimation of the present state (initial condition)

Common main methodological difficulties

I Non linearities: J non quadratic / what about Kalman filter ?I Huge dimensions [x] = O(106 − 109): minimization of J /

management of huge matricesI Poorly known error statistics: choice of the norms / B,R,Q

I Scientific computing issues (data management, code efficiency,parallelization...)

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In short

I Variational methods:I a series of approximations of the cost function, corresponding to a

series of methods: 4D-Var, incremental 4D-Var, 3D-FGAT, 3D-VarI the more sophisticated ones (4D-Var, incremental 4D-Var) require

the tangent linear and adjoint models (the development of which isa real investment)

I Statistical methods:I extended Kalman filter handle (weakly) non linear problems

(requires the tangent linear model)I reduced order Kalman filters address huge dimension problemsI a quite efficient method, addressing both problems: ensemble

Kalman filters (EnKF)I these are so called “Gaussian filters”

I particle filters: currently being developed - fully Bayesian approach -still limited to low dimension problems

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Some present research directions

I new methods: less expensive, more robust w.r.t. nonlinearitiesand/or non gaussianity (particle filters, En4DVar, BFN...)

I better management of errors (prior statistics, identification, a posteriorivalidation...)

I “complex” observations (images, Lagrangian data...)

I new application domains (often leading to new methodological questions)

I definition of observing systems, sensitivity analysis...

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Two announcements

I CNA 2014: 5eme Colloque National d’Assimilation de donneesToulouse, 1-3 decembre 2014

I Doctoral course “Introduction to data assimilation”Grenoble, January 5-9, 2015

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