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Non-sampling functional approximation of linear and
non-linear Bayesian Update
Alexander Litvinenko
H. G. Matthies
Institute of Scientific Computing, TU Braunschweig
Brunswick, Germany
wire@tu-bs.de
http://www.wire.tu-bs.de
2
Lorenz-63 Problem
Lorenz 1963 is a system of ODEs. Has chaotic solutions for certain
parameter values and initial conditions. [LBU is done by O. Pajonk].
˙x = σ(y − x)
˙y = x(ρ − z) − y
˙z = xy − βz
Initial state q0(ω) = (x0(ω), y0(ω), z0(ω)) are uncertain.
Solving in t0, t1, ..., t10, Noisy Measur. → UPDATE, solving in t11, t12, ..., t20, Noisy
Measur. → UPDATE,...
IDEA of the Bayesian Update (BU):
Take qf(ω) = q0(ω).
Linear BU: qa = qf + K · (z − y)
Non-Linear BU: qa = qf + H1
· (z − y) + (z − y)T
· H2
· (z − y).
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3
Setting for the identification process
General idea:
We observe / measure a system, whose structure we know in principle.
The system behaviour depends on some quantities (parameters),
which we do not know ⇒ uncertainty.
We model (uncertainty in) our knowledge in a Bayesian setting:
as a probability distribution on the parameters.
We start with what we know a priori, then perform a measurement.
This gives new information, to update our knowledge (identification).
Update in probabilistic setting works with conditional probabilities
⇒ Bayes’s theorem.
Repeated measurements lead to better identification.
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Mathematical setup
Consider
A(u; q) = f ⇒ u = S(f; q),
where S is solution operator.
Operator depends on parameters q ∈ Q,
hence state u ∈ U is also function of q:
Measurement operator Y with values in Y:
y = Y (q; u) = Y (q, S(f; q)).
Examples of measurements:
(ODE) u(t) = (x(t), y(t), z(t))T
, y(t) = (x(t), y(t))T
(PDE) y(ω) = D0
u(ω, x)dx, y(ω) = D0
| grad u(ω, x)|2
dx, u in few points
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Inverse problem
For given f, measurement y is just a function of q.
This function is usually not invertible ⇒ ill-posed problem,
measurement y does not contain enough information.
In Bayesian framework state of knowledge modelled in a probabilistic way,
parameters q are uncertain, and assumed as random.
Bayesian setting allows updating / sharpening of information
about q when measurement is performed.
The problem of updating distribution—state of knowledge of q
becomes well-posed.
Can be applied successively, each new measurement y and
forcing f —may also be uncertain—will provide new information.
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Conditional probability and expectation
With state u ∈ U = U ⊗ S a RV, the quantity to be measured
y(ω) = Y (q(ω), u(ω))) ∈ Y := Y ⊗ S
is also uncertain, a random variable.
A new measurement z is performed, composed from the
“true” value y ∈ Y and a random error : z(ω) = y + (ω) ∈ Y .
Classically, Bayes’s theorem gives conditional probability
P(Iq|Mz) =
P(Mz|Iq)
P(Mz)
P(Iq);
expectation with this posterior measure is conditional expectation. Kolmogorov starts
from conditional expectation E (·|Mz),
from this conditional probability via P(Iq|Mz) = E χIq|Mz .
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Conditional expectation
The conditional expectation is defined as
orthogonal projection onto the closed subspace L2(Ω, P, σ(z)):
E(q|σ(z)) := PQ∞q = argmin˜q∈L2(Ω,P,σ(z)) q − ˜q 2
L2
The subspace Q∞ := L2(Ω, P, σ(z)) represents the available information, estimate
minimises Φ(·) := q − (·) 2
over Q∞.
The update, also called the assimilated value qa(ω) := PQ∞q = E(q|σ(z)), is a
Q-valued RV
and represents new state of knowledge after the measurement.
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Approximation
Minimisation equivalent to orthogonality: find φ ∈ L0(Y, Q)
∀v ∈ Q∞ : DqaΦ(qa(φ)), v L2 = q − qa, v L2 = 0,
⇔ DφΦ := DqaΦ ◦ Dφqa = 0 with qa(φ) := φ(z).
Approximation of Q∞: take Qn ⊂ Q∞
Qn := {ϕ ∈ Q : ϕ = ψn ◦ Y, ψn a nth
degree polynomial}
i.e. ϕ = H0
+ H1
Y + · · · + Hk
Y ⊗k
+ · · · + Hn
Y ⊗n
,
where Hk
∈ L k
s (Y, Q) is symmetric and k-linear.
With qa(φ) = qa(( H0
, . . . , Hk
, . . . , Hn
)) =
n
k=0 Hk
z⊗k
= PQnq,
orthogonality implies
∀ = 0, . . . , n : D( H)Φ(qa( H0
, . . . , Hk
, . . . , Hn
)) = 0
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Approximation
Φ(qa) = q − qa
2
= q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
) 2
=
q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
), q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
) .
D( H0 )Φ(qa(...)) : q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
), 1 = 0.
H0
+ H1
Y + · · · + Hn
Y ⊗n
= q .
D( H1 )Φ(qa(...)) : q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
), Y = 0.
H0
Y + H1
Y, Y + · · · Hn
Y ⊗n+1
= q, Y .
D( Hn )Φ(qa(...)) : q − ( H0
+ H1
Y + · · · + Hn
Y ⊗n
), Y ⊗n
= 0.
H0
Y ⊗n
+ H1
Y ⊗n+1
+ · · · Hn
Y ⊗2n
= q, Y ⊗n
.
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Bayesian update in components
For finite dimensional spaces, or after discretisation,
in components:
let q = (qm
), Y = (Y 
), and Hk
= ( Hk m
1...k
), then:
∀ = 0, . . . , n;
Y 1 · · · Y 
( H0 m
) + · · · + Y 1 · · · Y  +k ( Hk m
 +1... +k
)+
· · · + Y 1 · · · Y  +n ( Hn m
 +1... +n
) = qm
Y 1 · · · Y 
.
matrix does not depend on m—is identically block diagonal.
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Ingredients of the quadratic Bayessian Update
H0
+ H1
Y + H2
Y ⊗2
= q ,
H0
Y + H1
Y ⊗2
+ H2
Y ⊗3
= q ⊗ Y
H0
Y ⊗2
+ H1
Y ⊗3
+ H2
Y ⊗4
= q ⊗ Y ⊗2
where Y = (x(ω), y(ω), z(ω))T
expanded in PCE, i.e. Y ∈ R3×|J |
,
Y ⊗2
− Y 2
is the covariance matrix,
Y ⊗4
is determ. tensor of size 3 × 3 × 3 × 3.


1 Y Y ⊗2
Y Y ⊗2
Y ⊗3
Y ⊗2
Y ⊗3
Y ⊗4




H0
H1
H2

 =


q
q ⊗ Y
q ⊗ Y ⊗2


the linear system is symmetric positive definite.
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Numerical solution of the system
Lorenz63: q = (x, y, z), Y = (x, y, z) + ε.
For x (for y, z the same) the system above is (1 + 4 + 9) × (1 + 4 + 9) = 13 × 13 large.
But there are linear dependences (e. g. H2
12 = H2
21)!
If remove linear dependent rows and columns, obtain 10 × 10 system.
Solution is ( H0 i
, H1 i
1, H1 i
2, H1 i
3, H2 i
11, ..., H2 i
33), i = 1, 2, 3.
If ε = 0, then q = Y and system can be solved analytically


1 q q⊗2
q q⊗2
q⊗3
q⊗2
q⊗3
q⊗4




H0
H1
H2

 =


q
q ⊗ q
q ⊗ q⊗2


And H0
= 0, H1
= I, H2
= 0.
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Polynomial Chaos Expansion
Let Y (x, θ), θ = (θ1, ..., θM, ...), is approximated:
Y (x, θ) =
β∈Jm,p
Hβ(θ)Yβ(x),
Yβ(x) =
1
β! Θ
Hβ(θ)Y (x, θ) P(dθ).
In Lorenz63 model matrix of PCE coefficients is Y ∈ R3×|Jm,p|
, |Jm,p| = (m+p)!
m!p! .
E.g. multiindex for Y ⊗ Y will be Jm,2p and for Y ⊗4
will be Jm,4p.
If (Y − Z) is needed, for uncorrelated Y (Jm1,p) and Z (Jm2,p), then must build
Jm1+m2,p.
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MAIN RESULT 1: Special cases
For n = 0 (constant functions) ⇒ qa = H0
= q (= E (q)).
For n = 1 the approximation is with affine functions
H0
+ H1
z = q
H0
z + H1
z ⊗ z = q ⊗ z
=⇒ (remember that [covqz] = q ⊗ z − q ⊗ z )
H0
= q − H1
z
H1
( z ⊗ z − z ⊗ z ) = q ⊗ z − q ⊗ z
⇒ H1
= [covqz][covzz]−1
(Kalman’s solution),
H0
= q − [covqz][covzz]−1
z ,
and finally
qa = H0
+ H1
z = q + [covqz][covzz]−1
(z − z ).
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Measurement error
Let ε ∈ N(0, σ2
I) be the Gaussian noise.
Since RVs Y and ε are uncorrelated, obtain
Y + ε = Y + ε = Y
(Y + ε)⊗2
= Y ⊗2
+ 2 Y ε + ε⊗2
= Y ⊗2
+ σ2
I
(Y + ε)⊗3
= Y ⊗3
+ 3 Y ε⊗2
(Y + ε)⊗4
= Y ⊗4
+ 6 Y ⊗2
ε⊗2
+ ε⊗4
(since ε⊗(2k+1)
= 0).
One should be accurate in computing the RHS q ⊗ Y , q ⊗ Y ⊗2
, ... since RVs q and
Y belong to different overlapping spaces.
TU Braunschweig Institute of Scientific Computing
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16
MAIN RESULT 2: Final Step of Non-linear BU
After H0
, H1
, H2
are computed, evaluate
qa = H0
+ H1
(Y − ˆY ) + H2
(Y − ˆY )⊗2
,
where ˆY are the noisy measurements.
TU Braunschweig Institute of Scientific Computing
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17
Numerics
Abbildung 1: One update in the linearized Lorenz63.
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18
Abbildung 2: Linear (left) and non-linear (right) Bayesian updates in
Lorenz63.
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19
Conclusion about NLBU
• + Is functional, sampling free approximation.
• + Give a hope to be used for solving inverse problems.
• - Stochastic dimension grows up very fast.
• - Is very “expensive” in computing and requires efficient tensor arithmetics.
TU Braunschweig Institute of Scientific Computing
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20
Literature
1. O. Pajonk, B. V. Rosic, A. Litvinenko, and H. G. Matthies, A Deterministic Filter
for Non-Gaussian Bayesian Estimation, Physica D: Nonlinear Phenomena, Vol.
241(7), pp. 775-788, 2012.
2. B. V. Rosic, A. Litvinenko, O. Pajonk and H. G. Matthies, Sampling Free Linear
Bayesian Update of Polynomial Chaos Representations, J. of Comput. Physics,
Vol. 231(17), 2012 , pp 5761-5787
TU Braunschweig Institute of Scientific Computing
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Non-sampling functional approximation of linear and non-linear Bayesian Update

  • 1. Non-sampling functional approximation of linear and non-linear Bayesian Update Alexander Litvinenko H. G. Matthies Institute of Scientific Computing, TU Braunschweig Brunswick, Germany wire@tu-bs.de http://www.wire.tu-bs.de
  • 2. 2 Lorenz-63 Problem Lorenz 1963 is a system of ODEs. Has chaotic solutions for certain parameter values and initial conditions. [LBU is done by O. Pajonk]. ˙x = σ(y − x) ˙y = x(ρ − z) − y ˙z = xy − βz Initial state q0(ω) = (x0(ω), y0(ω), z0(ω)) are uncertain. Solving in t0, t1, ..., t10, Noisy Measur. → UPDATE, solving in t11, t12, ..., t20, Noisy Measur. → UPDATE,... IDEA of the Bayesian Update (BU): Take qf(ω) = q0(ω). Linear BU: qa = qf + K · (z − y) Non-Linear BU: qa = qf + H1 · (z − y) + (z − y)T · H2 · (z − y). TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 3. 3 Setting for the identification process General idea: We observe / measure a system, whose structure we know in principle. The system behaviour depends on some quantities (parameters), which we do not know ⇒ uncertainty. We model (uncertainty in) our knowledge in a Bayesian setting: as a probability distribution on the parameters. We start with what we know a priori, then perform a measurement. This gives new information, to update our knowledge (identification). Update in probabilistic setting works with conditional probabilities ⇒ Bayes’s theorem. Repeated measurements lead to better identification. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 4. 4 Mathematical setup Consider A(u; q) = f ⇒ u = S(f; q), where S is solution operator. Operator depends on parameters q ∈ Q, hence state u ∈ U is also function of q: Measurement operator Y with values in Y: y = Y (q; u) = Y (q, S(f; q)). Examples of measurements: (ODE) u(t) = (x(t), y(t), z(t))T , y(t) = (x(t), y(t))T (PDE) y(ω) = D0 u(ω, x)dx, y(ω) = D0 | grad u(ω, x)|2 dx, u in few points TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 5. 5 Inverse problem For given f, measurement y is just a function of q. This function is usually not invertible ⇒ ill-posed problem, measurement y does not contain enough information. In Bayesian framework state of knowledge modelled in a probabilistic way, parameters q are uncertain, and assumed as random. Bayesian setting allows updating / sharpening of information about q when measurement is performed. The problem of updating distribution—state of knowledge of q becomes well-posed. Can be applied successively, each new measurement y and forcing f —may also be uncertain—will provide new information. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 6. 6 Conditional probability and expectation With state u ∈ U = U ⊗ S a RV, the quantity to be measured y(ω) = Y (q(ω), u(ω))) ∈ Y := Y ⊗ S is also uncertain, a random variable. A new measurement z is performed, composed from the “true” value y ∈ Y and a random error : z(ω) = y + (ω) ∈ Y . Classically, Bayes’s theorem gives conditional probability P(Iq|Mz) = P(Mz|Iq) P(Mz) P(Iq); expectation with this posterior measure is conditional expectation. Kolmogorov starts from conditional expectation E (·|Mz), from this conditional probability via P(Iq|Mz) = E χIq|Mz . TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 7. 7 Conditional expectation The conditional expectation is defined as orthogonal projection onto the closed subspace L2(Ω, P, σ(z)): E(q|σ(z)) := PQ∞q = argmin˜q∈L2(Ω,P,σ(z)) q − ˜q 2 L2 The subspace Q∞ := L2(Ω, P, σ(z)) represents the available information, estimate minimises Φ(·) := q − (·) 2 over Q∞. The update, also called the assimilated value qa(ω) := PQ∞q = E(q|σ(z)), is a Q-valued RV and represents new state of knowledge after the measurement. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 8. 8 Approximation Minimisation equivalent to orthogonality: find φ ∈ L0(Y, Q) ∀v ∈ Q∞ : DqaΦ(qa(φ)), v L2 = q − qa, v L2 = 0, ⇔ DφΦ := DqaΦ ◦ Dφqa = 0 with qa(φ) := φ(z). Approximation of Q∞: take Qn ⊂ Q∞ Qn := {ϕ ∈ Q : ϕ = ψn ◦ Y, ψn a nth degree polynomial} i.e. ϕ = H0 + H1 Y + · · · + Hk Y ⊗k + · · · + Hn Y ⊗n , where Hk ∈ L k s (Y, Q) is symmetric and k-linear. With qa(φ) = qa(( H0 , . . . , Hk , . . . , Hn )) = n k=0 Hk z⊗k = PQnq, orthogonality implies ∀ = 0, . . . , n : D( H)Φ(qa( H0 , . . . , Hk , . . . , Hn )) = 0 TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 9. 9 Approximation Φ(qa) = q − qa 2 = q − ( H0 + H1 Y + · · · + Hn Y ⊗n ) 2 = q − ( H0 + H1 Y + · · · + Hn Y ⊗n ), q − ( H0 + H1 Y + · · · + Hn Y ⊗n ) . D( H0 )Φ(qa(...)) : q − ( H0 + H1 Y + · · · + Hn Y ⊗n ), 1 = 0. H0 + H1 Y + · · · + Hn Y ⊗n = q . D( H1 )Φ(qa(...)) : q − ( H0 + H1 Y + · · · + Hn Y ⊗n ), Y = 0. H0 Y + H1 Y, Y + · · · Hn Y ⊗n+1 = q, Y . D( Hn )Φ(qa(...)) : q − ( H0 + H1 Y + · · · + Hn Y ⊗n ), Y ⊗n = 0. H0 Y ⊗n + H1 Y ⊗n+1 + · · · Hn Y ⊗2n = q, Y ⊗n . TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 10. 10 Bayesian update in components For finite dimensional spaces, or after discretisation, in components: let q = (qm ), Y = (Y  ), and Hk = ( Hk m 1...k ), then: ∀ = 0, . . . , n; Y 1 · · · Y  ( H0 m ) + · · · + Y 1 · · · Y  +k ( Hk m  +1... +k )+ · · · + Y 1 · · · Y  +n ( Hn m  +1... +n ) = qm Y 1 · · · Y  . matrix does not depend on m—is identically block diagonal. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 11. 11 Ingredients of the quadratic Bayessian Update H0 + H1 Y + H2 Y ⊗2 = q , H0 Y + H1 Y ⊗2 + H2 Y ⊗3 = q ⊗ Y H0 Y ⊗2 + H1 Y ⊗3 + H2 Y ⊗4 = q ⊗ Y ⊗2 where Y = (x(ω), y(ω), z(ω))T expanded in PCE, i.e. Y ∈ R3×|J | , Y ⊗2 − Y 2 is the covariance matrix, Y ⊗4 is determ. tensor of size 3 × 3 × 3 × 3.   1 Y Y ⊗2 Y Y ⊗2 Y ⊗3 Y ⊗2 Y ⊗3 Y ⊗4     H0 H1 H2   =   q q ⊗ Y q ⊗ Y ⊗2   the linear system is symmetric positive definite. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 12. 12 Numerical solution of the system Lorenz63: q = (x, y, z), Y = (x, y, z) + ε. For x (for y, z the same) the system above is (1 + 4 + 9) × (1 + 4 + 9) = 13 × 13 large. But there are linear dependences (e. g. H2 12 = H2 21)! If remove linear dependent rows and columns, obtain 10 × 10 system. Solution is ( H0 i , H1 i 1, H1 i 2, H1 i 3, H2 i 11, ..., H2 i 33), i = 1, 2, 3. If ε = 0, then q = Y and system can be solved analytically   1 q q⊗2 q q⊗2 q⊗3 q⊗2 q⊗3 q⊗4     H0 H1 H2   =   q q ⊗ q q ⊗ q⊗2   And H0 = 0, H1 = I, H2 = 0. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 13. 13 Polynomial Chaos Expansion Let Y (x, θ), θ = (θ1, ..., θM, ...), is approximated: Y (x, θ) = β∈Jm,p Hβ(θ)Yβ(x), Yβ(x) = 1 β! Θ Hβ(θ)Y (x, θ) P(dθ). In Lorenz63 model matrix of PCE coefficients is Y ∈ R3×|Jm,p| , |Jm,p| = (m+p)! m!p! . E.g. multiindex for Y ⊗ Y will be Jm,2p and for Y ⊗4 will be Jm,4p. If (Y − Z) is needed, for uncorrelated Y (Jm1,p) and Z (Jm2,p), then must build Jm1+m2,p. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 14. 14 MAIN RESULT 1: Special cases For n = 0 (constant functions) ⇒ qa = H0 = q (= E (q)). For n = 1 the approximation is with affine functions H0 + H1 z = q H0 z + H1 z ⊗ z = q ⊗ z =⇒ (remember that [covqz] = q ⊗ z − q ⊗ z ) H0 = q − H1 z H1 ( z ⊗ z − z ⊗ z ) = q ⊗ z − q ⊗ z ⇒ H1 = [covqz][covzz]−1 (Kalman’s solution), H0 = q − [covqz][covzz]−1 z , and finally qa = H0 + H1 z = q + [covqz][covzz]−1 (z − z ). TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 15. 15 Measurement error Let ε ∈ N(0, σ2 I) be the Gaussian noise. Since RVs Y and ε are uncorrelated, obtain Y + ε = Y + ε = Y (Y + ε)⊗2 = Y ⊗2 + 2 Y ε + ε⊗2 = Y ⊗2 + σ2 I (Y + ε)⊗3 = Y ⊗3 + 3 Y ε⊗2 (Y + ε)⊗4 = Y ⊗4 + 6 Y ⊗2 ε⊗2 + ε⊗4 (since ε⊗(2k+1) = 0). One should be accurate in computing the RHS q ⊗ Y , q ⊗ Y ⊗2 , ... since RVs q and Y belong to different overlapping spaces. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 16. 16 MAIN RESULT 2: Final Step of Non-linear BU After H0 , H1 , H2 are computed, evaluate qa = H0 + H1 (Y − ˆY ) + H2 (Y − ˆY )⊗2 , where ˆY are the noisy measurements. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 17. 17 Numerics Abbildung 1: One update in the linearized Lorenz63. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 18. 18 Abbildung 2: Linear (left) and non-linear (right) Bayesian updates in Lorenz63. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 19. 19 Conclusion about NLBU • + Is functional, sampling free approximation. • + Give a hope to be used for solving inverse problems. • - Stochastic dimension grows up very fast. • - Is very “expensive” in computing and requires efficient tensor arithmetics. TU Braunschweig Institute of Scientific Computing CC Scientifi omputing
  • 20. 20 Literature 1. O. Pajonk, B. V. Rosic, A. Litvinenko, and H. G. Matthies, A Deterministic Filter for Non-Gaussian Bayesian Estimation, Physica D: Nonlinear Phenomena, Vol. 241(7), pp. 775-788, 2012. 2. B. V. Rosic, A. Litvinenko, O. Pajonk and H. G. Matthies, Sampling Free Linear Bayesian Update of Polynomial Chaos Representations, J. of Comput. Physics, Vol. 231(17), 2012 , pp 5761-5787 TU Braunschweig Institute of Scientific Computing CC Scientifi omputing