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ECCM 2010
IV European Conference on Computational Mechanics
Palais des Congrès, Paris, France, May 16-21, 2010
Sparse data formats and efficient numerical methods for uncertainties
quantification in numerical aerodynamics
A. Litvinenko1, H. G. Matthies2
Institute of Scientific Computing, Technical University of Braunschweig, Germany
1{litvinen}@tu-bs.de
2{wire}@tu-bs.de
Abstract
We research how uncertainties in the input data (parameters, coefficients, right-hand sides, bound-
ary conditions, computational geometry) spread of in the solution. Since all realisations of random
fields are too much information, we demonstrate an algorithm of their low-rank approximation. This
algorithm is based on singular value decomposition and has linear complexity. This low-rank approx-
imation allows us to compute main statistics such as the mean value, variance, exceedance probability
with a linear complexity and with drastically reduced memory requirements.
Keywords: uncertainty quantification, stochastic elliptic partial differential equations, Karhunen-Loève
expansion, QR-algorithm, sparse data format, low-rank data format.
1 Introduction
Nowadays the trend of numerical mathematics is often trying to resolve inexact mathematical models by
very exact deterministic numerical methods. The reason of this inexactness is that almost each mathemat-
ical model of a real world situation contains uncertainties in the coefficients, right-hand side, boundary
conditions, initial data as well as in the computational geometry. All these uncertainties can affect the
solution dramatically, which is, in its turn, also uncertain. The information of the interest usually is not
the whole set of realisations of the solutions (too much data), but cumulative distribution function, den-
sity function, mean value, variance, exceedance probability etc.
We consider mathematical model described by (stohastic) Navier-Stokes equations, where uncertainties
are represented via random fields. Efficient numerical solution of such stochastic system requires an
appropriate discretisation of the deterministic operator as well as the stochastic fields (Section 2). The
total number degrees of freedom (dofs) of the discrete model of the SPDE is the product of dofs of the
deterministic and stochastic discretisations and can be, even after application of the truncated Karhunen-
Loève expansion (KLE) [1] and polynomial chaos expansion (PCE) of Wiener [2], very high. In Section
3 we explain how we model uncertainties in the parameters angle of attack and Mach number, in the
atmosphere (Section 3.2) and uncertainties in the geometry (Section 3.3). To avoid large memory re-
quirements and to reduce computing time data sparse techniques for representation of input and output
data (solution) are necessary.
In Section 4 we compress the set of output random fields via the algorithm based on the singular value
decomposition. The short idea is as follows.
Let vi ∈ Rn, i = 1..Z, stochastic realisations of the solution (already centred). We build from all vectors vi
the matrix W := [v1,...,vZ] ∈ Rn×Z and compute its low-rank approximation ˜W = ABT , where A ∈ Rn×k
1
and B ∈ RZ×k. For every new vector vZ+1 an update for the matrices A and B is computed on the fly with
a linear complexity.
Section 5 is devoted to the numerical results, where we demonstrate the influence of uncertainties in the
angle of attack α, in the Mach number Ma and in the airfoil geometry on the solution - drag, lift, pressure
and friction coefficients.
2 Discretisation techniques
By definition, the Karhunen-Loève expansion (KLE) of a random field κ(x,ω) is the following series [1]
κ(x,ω) = Eκ(x)+
∞
∑
ℓ=1
λℓφℓ(x)ξℓ(ω), (1)
where ξℓ(ω) are uncorrelated random variables and Eκ(x) is the mean value of κ(x,ω), λℓ and φℓ are the
eigenvalues and the eigenvectors of problem
Tφℓ = λℓφℓ, φℓ ∈ L2
(G), ℓ ∈ N, (2)
and operator T is defined like follows
T : L2
(G) → L2
(G), (Tφ)(x) :=
Z
G
covκ(x,y)φ(y)dy,
where covκ(x,y) a given covariance function and G a computational domain. Throwing away all unim-
portant terms in (1), one obtains the truncated KLE, which is a sparse representation of the random field
κ(x,ω). Each random variable ξℓ can be, in its turn, approximated in a set of new independent Gaussian
random variables (polynomial chaos expansions (PCE) of Wiener [3, 2]), e.g.
ξℓ(ω) = ∑
β∈J
ξ
(β)
ℓ Hβ(θ(ω)), (3)
where θ(ω) = (θ1(ω),θ2(ω),...), ξ
(β)
ℓ are coefficients, Hβ, β ∈ J, is a Hermitian basis and J := {β|β =
(β1,...,βj,...), βj ∈ N0} a multi-index set (see Appendix or [4]). Computing the truncated PCE for each
random variable in KLE, one can make representation of the random field (1) even more sparse.
Since Hermite polynomials are orthogonal, the coefficients ξ
(β)
ℓ in (3) scan be computed by projection
ξ
(β)
ℓ =
1
β!
Z
Θ
Hβ(θ)ξℓ(θ)P(dθ).
This multidimensional integral over Θ can be computed approximately, for example, on a sparse Gauss-
Hermite grid
ξ
(β)
ℓ =
1
β!
n
∑
i=1
Hβ(θi)ξℓ(θi)wi, (4)
where weights wi and points θi are defined from sparse Gauss-Hermite integration rule.
The algorithms for construction of sparse Gauss-Hermite grids are well known (e.g., [5]). Examples of
two dimensional sparse Gauss-Hermite grids (αi, Mai), i = 1..n, n = 13,29,137 are shown in Fig. 1.
After a finite element discretisation (see [6] for more details) the discrete eigenvalue problem (2) looks
like
MCMφℓ = λh
ℓ Mφℓ, Cij = covκ(xi,yj). (5)
Here the mass matrix M is stored in a usual data sparse format and the dense matrix C ∈ Rn×n (requires
O(n2) units of memory) is approximated in the sparse H -matrix format [6] (requires only O(nlogn)
units of memory) or in the Kronecker low-rank tensor format [7]. To compute m eigenvalues (m ≪ n)
and corresponding eigenvectors we apply the Lanczos eigenvalue solver [8, 9].
2
Figure 1: Sparse Gauss-Hermite grids for the uncertain angle of attack α
′
and the Mach number Ma
′
,
n = {13, 29, 137}.
3 Statistical modelling of uncertainties
We have implemented two different strategies to research simultaneous propagation of uncertainties in
the angle of attack α and in the Mach number Ma. In the first strategy (Section 3.1) we assumed that the
mean values and standard deviations for the random variables α and Ma are given. Then for each pair
αi and Mai of a sparse Gauss-Hermite grid we compute the solution with help of the deterministic code
(TAU code). After that statistical functionals of interest are computed. Since sparse Gauss-Hermite grid
methods may be unstable, we compare the obtained results with the results of Monte Carlo simulations.
In the second strategy (Section 3.2), we assume that the turbulence in the atmosphere randomly and
simultaneously changes the velocity vector and the angle of attack (see Fig. 2). We model turbulence
in the atmosphere by two additionally axes-parallel velocity vectors v1 and v2, which have Gaussian
distribution.
3.1 Distribution functions of α and Ma are given
In real-life applications distribution functions of the Mach number Ma and the angle of attack α are
unknown. As a start point we consider the uniform and the Gaussian distributions. For our further
numerical experiments we choose mean values and standard deviations as in Table 4. The Reynolds
number is Re = 6.5e+6 and the computational geometry is RAE-2822 airfoil.
3.2 Modelling of turbulence in the atmosphere
In this section we describe how uncertainties in the turbulence in the atmosphere influence on the angle
of attack α and on the Mach number (see Fig. 2). One should not mix this kind of turbulence with
the turbulence in the boundary layer reasoned by friction. We assume that turbulence vortices in the
atmosphere are comparable with the size of the airplane.
We model the turbulence in the atmosphere via two vectors
α
v
v
u
u’
α’
v1
2
Figure 2: Two random vectors v1 and v2 model turbulence in the atmosphere. Airfoil, the old and new
freestream velocities u and u
′
, the old and new angles of attack α and α
′
.
3
v1 =
σθ1
√
2
and v2 =
σθ2
√
2
. (6)
where θ1 and θ2 two Gaussian random variables with zero mean and unit variance, σ = Iu∞ the standard
deviation of the turbulent velocity fluctuations, I the mean turbulence intensity and u∞ is the freestream
velocity.
Denoting θ := θ2
1 +θ2
2, then v := v2
1 +v2
2 = Iu∞√
2
θ and β := arctgv2
v1
. After easy computations the new
angle of attack will be as follows
α
′
= arctg
sinα+zsinβ
cosα−zcosβ
, where z :=
Iθ
√
2
(7)
and the new Mach number
Ma
′
= Ma 1+
I2θ2
2
−
√
2Iθcos(β+α). (8)
By default, in the TAU code, the mean turbulence intensity is I = 0.001.
Thus, alternatively to the way of modelling introduced in Sec. 3.1, uncertainties in the angle of at-
tack α
′
= α
′
(θ1,θ2) and in the Mach number Ma
′
= Ma
′
(θ1,θ2) are described via two standard normal
variables θ1 and θ2. This is the second way of modelling.
3.3 Uncertainties in geometry
We model uncertainties in geometry by the usage of random field
∂Gε(ω) = {x+εκ(x,ω)n(x) : x ∈ ∂G}. (9)
where κ(x,ω) is a random field, n(x) a normal vector in point x and ε a small parameter.
To generate Z realisations of uncertain airfoil (e.g., for MC or collocation methods) we follow to the
Algorithm below:
1. Assume cov. function cov(p1, p2) for random field κ(x,ω) is given
2. Compute Cij := cov(pi, pj) for all grid points (in a sparse data format!)
3. Solve eigenproblem (5)
4. Each random vector ξ = (ξ1(ω),...,ξm(ω)) results new airfoil κ(x,ω) ≈ ∑m
i=1
√
λiφiξi(ω).
Sparse approximation of the dense matrix C is done in [6, 7].
In Fig. 3 one can see 69 realisations of RAE-2822 airfoil with uncertainties in geometry. The largest
uncertainties in the airfoil geometry are in the position x ≈ 0.58. The used covariance function is of
Gaussian type:
cov(p1, p2) = σ2
·exp(−ρ2
), (10)
where σ is a parameter, p1 = (x1,x2), p2 = (y1,y2) ∈ G two points,
ρ(p1, p2) =
2
∑
i=1
|xi −yi|2/l2
i , and li are correlation length scales. (11)
The influence of uncertainties in the airfoil geometry on the solution will be researched as follows:
4
Figure 3: 69 realisations of RAE-2822 airfoil.
Algorithm: (Computation and usage of the response surface)
1. Compute m eigenpairs of the discrete eigenvalue problem Eq. (5).
2. Generate a sparse Gauss-Hermite grid in m-dimensional space. Denote the number of grid points
by N.
3. For each grid point θ = (θ1,...,θm) from item (2) compute KLE (1). Each KLE is a new airfoil
geometry γ(x,θ).
4. For each new airfoil solve the problem (call the deterministic code).
5. Using the solution from item (4) and Hermite polynomials build the response surface.
6. Generate 106 points in m-dimensional space and evaluate response surface in these points.
7. Using the values form item (6) compute statistical functionals of interest.
4 Data compression
A large number of stochastic realisations requires a large amount of memory and computational re-
sources. To decrease memory requirements and the computing time we offer to use a low-rank approxi-
mation for all realisations of input and output random fields. For each new realisation only corresponding
low-rank update is computed (see, e.g. [10]). It can be practical when, e.g. many thousands Monte Carlo
simulations are computed and stored.
Let vi ∈ Rn be the solution vector (already centred), where i = 1..Z a number of stochastic realisations of
the solution. Build from all these vectors the matrix W = (v1,...,vZ) ∈ Rn×Z. Consider the factorization
W = ABT
where A ∈ Rn×k
and B ∈ RZ×k
. (12)
Definition 1 We say that matrix W is a rank-k matrix if the representation (12) is given. We denote the
class of all rank-k matrices for which factors A and BT in (12) exist by R (k,n,Z). If W ∈ R (k,n,Z) we
say that W has a low-rank representation.
5
The first aim is to compute a rank-k approximation ˜W of W, such that
W − ˜W < ε, k ≪ min{n,Z}.
The second aim is to compute an update for the approximation ˜W with a linear complexity for every new
coming vector vZ+1. Below we present the algorithm which does this.
To get the reduced singular value decomposition we omit all singular values, which are smaller than
some level ε or, alternative variant, we leave a fixed number of largest singular values. After truncation
we speak about reduced singular value decomposition (denoted by rSVD) ˜W = ˜U ˜Σ ˜VT , where ˜U ∈ Rn×k
contains the first k columns of U, ˜V ∈ RZ×k contains the first k columns of V and ˜Σ ∈ Rk×k contains the
k-biggest singular values of Σ. There is theorem (see more in [11] or [12]) which tells that matrix ˜W is
the best approximation of W in the class of all rank-k matrices.
The computation of such basic statistics as the mean value, the variance, the exceedance probability can
be done with a linear complexity. The following examples illustrate computation of the mean value and
the variance.
Let W = (v1,...,vZ) ∈ Rn×Z and its rank-k representation W = ABT , A ∈ Rn×k, BT ∈ Rk×Z be given.
Denote the j-th row of matrix A by aj ∈ Rk and the i-th column of matrix BT by bi ∈ Rk.
1. One can compute the mean solution v ∈ Rn as follows
v =
1
Z
Z
∑
i=1
vi =
1
Z
Z
∑
i=1
A·bi = Ab, (13)
The computational complexity is O(k(Z +n)), besides O(nZ)) for usual dense data format.
2. One can compute the mean value of the solution in a grid point xj as follows
v(xj) =
1
Z
Z
∑
i=1
vi(xj) =
1
Z
Z
∑
i=1
aj ·bT
i = ajb. (14)
The computational complexity is O(kZ).
3. One can compute the variance of the solution var(v) ∈ Rn by the computing the covariance matrix
and taking its diagonal. First, we compute the centred matrix Wc :=W −WeT , where W =W ·e/Z
and e = (1,...,1)T . Computing Wc costs O(k2(n+Z)) (addition and truncation of rank-k matrices).
By definition, the covariance matrix is cov = WcWT
c . The reduced singular value decomposition
of Wc is Wc = UΣVT , Σ ∈ Rk×k, can be computed with a linear complexity via the QR algorithm
(Section 4.1). Now, the covariance matrix can be written like
cov = WcWT
c = UΣVT
VΣT
UT
= UΣΣT
UT
. (15)
The variance of the solution vector (i.e. the diagonal of the covariance matrix in (15)) can be
computed with the complexity O(k2(Z +n)).
4. One can compute the variance value var(v(xj)) in a grid point xj with a linear computational cost.
5. To compute minimum or maximum of the solution in a point xj over all realisations cost O(kZ).
6
4.1 Low-rank update with linear complexity
Let W = ABT ∈ Rn×Z and matrices A and B be given. An rSVD W = UΣVT can be computed efficiently
in three steps (QR algorithm for computing the reduced SVD):
1. Compute (reduced) a QR-factorization of A = QARA and B = QBRB, where QA ∈ Rn×k, QB ∈ RZ×k,
and upper triangular matrices RA,RB ∈ Rk×k.
2. Compute an reduced SVD of RART
B = U′ΣV′T .
3. Compute U := QAU′, V := QAV′T .
QR-decomposition can be done faster if a part of matrix A (B) is orthogonal (see [10]). The first and third
steps need O((n+ Z)k2) operations and the second step needs O(k3). The total complexity of rSVD is
O((n+Z)k2 +k3).
Suppose we have already matrix W = ABT ∈ Rn×Z containing solution vectors. Suppose also that matrix
W
′
∈ Rn×m contains new m solution vectors. For the small matrix W
′
, computing the factors C and DT
such that W
′
= CDT is not expensive. Now our purpose is to compute with a linear complexity the
new matrix Wnew ∈ Rn×(Z+m) in the rank-k format. To do this, we build two concatenated matrices
Anew := [AC] ∈ Rn×2k and BT
new = blockdiag[BT DT ] ∈ R2k×(Z+m). Note that the difficulty now is that
matrices Anew and Bnew have rank 2k. To truncate the rank from 2k to k we use the QR-algorithm
above. Obtain
Wnew = UΣVT
= U(VΣT
)T
= AnewBT
new,
where Anew ∈ Rn×k and BT
new ∈ Rk×(Z+m). Thus, the “update” of the matrix W is done with a linear
complexity O((n+Z)k2 +k3 +(n+Z)k2).
5 Numerics
Further numerical results are obtained in the MUNA project. We demonstrate the influence of uncertain-
ties in the angle of attack, the Mach number and the airfoil geometry on the solution (the lift, drag, lift
coefficient and skin friction coefficient). As an example we consider two-dimensional RAE-2822 airfoil.
The deterministic solver is the TAU code with k-w turbulence model. We assume that α and Ma are
Gaussian with means α = 2.79, Ma = 0.734 and the standard deviations σ(α) = 0.1 and σ(Ma) = 0.005.
Table 1 demonstrates application of the collocation method computed in grid points of the sparse Gauss-
Hermite two-dimensional grid (Z = 5 deterministic evaluations). The Hermite polynomials are of order 1
with two random variables (see (3)). In the last column we compute the measure of uncertainty σ/mean.
It shows that 3.6% and 0.7% of uncertainties in α and in Ma correspondingly result in 2.1% and 15.1%
of uncertainties in the lift CL and drag CD.
In Fig.4 we compare the cumulative distribution and density functions for the lift and drag, obtained via
the response surface (PCE of order 1) and via 6360 Monte Carlo simulations. To get a large sample we
use sparse Gauss-Hermite grids (with 13 and 29 nodes) to build corresponding response surfaces and
then perform 106 MC evaluations on each response surface. Thus, one can see that very cheap colloca-
tion method (13 or 29 deterministic evaluations) produces similar to MC method with 6360 simulations.
But, at the same time we can not say which result is more precise. The exact solution is unknown and
6360 MC simulations are too few.
7
mean st. dev. σ σ/mean
α 2.79 0.1 0.036
Ma 0.734 0.005 0.007
CL 0.853 0.018 0.021
CD 0.0206 0.0031 0.151
Table 1: Uncertainties in the input parameters (α and Ma) and in the solution (CL and CD). PCE of order
1 and sparse Gauss-Hermite grid with 5 points.
Figure 4: Density functions (first row), cumulative distribution functions (second row) of CL (left) and
CD (right). PCE is of order 1 with two random variables. Three graphics computed with 6360 MC
simulations, 13 and 29 collocation points.
8
The graphics in Fig. 5 demonstrate error bars [mean−σ,mean+σ], σ the standard deviation, for the
pressure coefficient cp and absolute skin friction cf in each surface point of the RAE2822 airfoil. The
data are obtained from 645 realisation of the solution. One can see that the largest error occur at the
shock (x ≈ 0.6). A possible explanation is that the shock position is expected to slightly change with
varying parameters α and Ma.
Figure 5: Error bars [mean − σ, mean + σ], σ standard deviation, in each point of RAE2822 airfoil for
the cp and cf.
To decrease memory requirements we write all Z = 645 realisations of the solution as matrices
∈ R512×645 and compute their rank-k approximations. In Table 2 one can see dependence of the rela-
tive error (in the spectral norm) on the rank k. Additionally, one can also see much smaller memory
requirement (dense matrix format costs 2.6MB). Fig. 6 demonstrates decay of 100 largest eigenvalues of
four matrices, corresponding to the pressure, density, pressure coefficient cp and absolute skin friction
cf. Each matrix belongs to the space R512×645. In Table 3 one can see dependence of the relative error
rank k 2 5 10 20
D− ˜Dk 2/ D 2 6.6e-1 4.1e-2 3.5e-3 3.5e-4
P− ˜Pk 2/ P 2 6.9e-1 8.4e-2 8.2e-3 7.2e-4
CP− ˜CPk 2/ CP 2 6.0e-3 5.3e-4 3.2e-5 2.4e-6
CF − ˜CFk 2/ CF 2 9.0e-3 7.7e-4 4.6e-5 3.5e-6
memory, kB 18 46 92 185
Table 2: Accuracy and memory requirements of the rank-k approximation of the solution matrices D =
[density], P = [pressure], CP = [cp]; CF = [cf] ∈ R512×645.
(in the Frobenious norm) on the rank k. Seven solution matrices contain pressure, density, turbulence
kinetic energy (tke), turbulence omega (to), eddy viscosity (ev), x-velocity (xv), z-velocity (zv) in the
whole computational domain with 260000 dofs. Additionally, one can also see much smaller memory
requirement (dense matrix format costs 1.25GB).
9
0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5
−20
−15
−10
−5
0
5
log, #eigenvalues
log,values
pressure
density
cp
cf
Figure 6: Decay (in log-scales) of 100 largest eigenvalues of the matrices constructed from 645 solutions
(pressure, density, cf, cp) on the surface of RAE-2822 airfoil.
rank k pressure density tke to ev xv zv memory, MB
10 1.9e-2 1.9e-2 4.0e-3 1.4e-3 1.4e-3 1.1e-2 1.3e-2 21
20 1.4e-2 1.3e-2 5.9e-3 3.3e-4 4.1e-4 9.7e-3 1.1e-2 42
50 5.3e-3 5.1e-3 1.5e-4 9.1e-5 7.7e-5 3.4e-3 4.8e-3 104
Table 3: Relative errors and memory requirements of rank-k approximations of the solution matrices
∈ R260000×600. Memory required for the storage of each matrix in the dense matrix format is 1.25 GB.
5.1 α and Ma have Gaussian distribution
For further numerical experiments we choose mean values and standard deviations as in Table 4.
Table 5 demonstrates application of sparse Gauss-Hermite two-dimensional grids with n = {5, 13, 29}
mean st. deviation, σ σ/mean
Angle of attack, α 2.790 0.1 0.036
Mach number, Ma 0.734 0.005 0.007
Table 4: Mean values and standard deviations
grid points. The Hermite polynomials (see Eq. 3) are of order 1 with two random variables. In the last
column we compute the measure of uncertainty σ/mean. For instance, for n = 5 it shows that 3.6% and
0.7% (Table 4) of uncertainties in α and in Ma correspondingly result in 2.1% and 15.1% of uncertainties
in the lift and drag coefficients (Table 5). These three grids show very similar results in the mean value
and in the standard deviation. At the same time the results obtained via 1500 MC simulations are very
similar to the results computed on all three sparse Gauss-Hermite grids.
May be sparse grids produce similar results only for “simple” stochastic functionals (mean, variance)?
In Fig. 4 we compare the cumulative distribution and density functions for the lift and drag coefficients,
10
n mean st. dev. σ σ/mean
5 CL 0.8530 0.0180 0.021
CD 0.0206 0.0031 0.151
13 CL 0.8530 0.0174 0.020
CD 0.0206 0.0030 0.146
29 CL 0.8520 0.0180 0.021
CD 0.0206 0.0031 0.151
MC 1500 CL 0.8525 0.0172 0.020
CD 0.0206 0.0030 0.146
Table 5: Uncertainties obtained on sparse Gauss-Hermite grids with 5 ,13, 29 points and with 1500 MC
simulations.
obtained via PCE and via 6300 Monte Carlo simulations. The response surface is PCE of order 1.
There are 106 MC evaluations of the response surface. Again, we see very similar graphics. Thus, one
can make conclusion that the sparse Gauss-Hermite grid with a small number of points, e.g. n = 13,
produces similar to MC results.
Table 6 demonstrates statistics obtained for the case when random variables α and Ma have uniform
distribution. Comparing Table 6 with Table 5 one can see that, in the case of uniform distribution of
uncertain parameters, the uncertainties in the lift and drag coefficients are smaller. Namely, 1.2% and
8.8% (for CL and CD) against 2% and 14.6% in the case of the Gaussian distribution. But, uncertainties
in the input parameters α and Ma, in the case of the uniform distribution, are also smaller: 2.1% and
0.4% against 3.5% and 0.7%.
mean st. dev. σ σ/mean
α 2.787 0.058 0.021
Ma 0.734 0.003 0.004
CL 0.853 0.0104 0.012
CD 0.0205 0.0018 0.088
Table 6: Statistic obtained from 3800 MC simulations, α and Ma have uniform distribution.
5.2 α(θ1,θ2), Ma(θ1,θ2), where θ1, θ2 have Gaussian distributions
In this section we illustrate numerical results for the model described in Section 3.2.
Table 7 shows statistics (the mean value and the standard deviation), computed on sparse Gauss-Hermite
grids with n = 137 grid points.
Table 8 compares uncertainties computed on sparse Gauss-Hermite grids with n = {137, 381, 645} nodes
with the uncertainties computed by the MC method (17000 simulations). All three grids and MC forecast
very similar uncertainties σ/mean in the drag coefficient CD and in the lift coefficient CL.
mean st. dev. σ σ/mean
α 2.8 0.2 0.071
Ma 0.73 0.0026 0.004
CL 0.85 0.0373 0.044
CD 0.01871 0.00305 0.163
Table 7: Statistics obtained on sparse Gauss-Hermite grid with 137 points.
11
n 137 381 645 MC, 17000
σCL
CL
0.044 0.042 0.042 0.045
σCD
CD
0.163 0.159 0.16 0.159
|CL−CL0|
CL
7.6e-4 1.3e-3 1.6e-3 4.2e-4
|CD−CD0|
CD
1.66e-2 1.46e-2 1.4e-2 2.1e-2
Table 8: Comparison of results obtained by a sparse Gauss-Hermite grid (n grid points) with 17000 MC
simulations.
Table 9 compares relative errors computed on different sparse Gauss-Hermite grids. One can see that
the errors are very small. But this table tells only that sparse Gauss-Hermite grid with n points can be
successfully used to compute the mean values CL and CD.
n 137 381 645
|CLn−CLMC|
CLMC
·100% 0.1% 0.1% 0.1%
|CDn−CDMC|
CDMC
·100% 0.4% 0.6% 0.7%
Table 9: Comparison of mean values obtained by MC simulations and by sparse Gauss-Hermite grid
with n grid points.
5.3 Uncertainties in the geometry
We follow the Algorithm described in Section 3.3. The number of KLE terms is m = 3. The covariance
function is of Gaussian type
cov(p1, p2) = σ2
·exp(−ρ2
), ρ = |x1 −x2|2/l2
1 +|z1 −z2|2/l2
2,
where σ = 10−3, p1 = (x1,0,z1), p2 = (x2,0,z2), the covariance lengths l1 = |maxi(x)−mini(x)|/10 and
l2 = |maxi(z) − mini(z)|/10. Stochastic dimension is 3 and number of sparse Gauss-Hermite points is
25. Table 10 demonstrate the computed statistics. Surprisingly small are uncertainties in the CL and CD
— 0.58% and 0.65% correspondingly. A possible explanation can be a small uncertain perturbations in
the airfoil geometry.
mean st. dev. σ σ/mean
CL 0.8552 0.0049 0.0058
CD 0.0183 0.00012 0.0065
Table 10: Statistics obtained for uncertainties in the geometry. Gaussian covariance function was used.
PCE of order 1 with 3 random variables. Sparse Gauss-Hermite grid contains 25 points.
12
6 Conclusion
In this work we researched how uncertainties in the input parameters (the angle of attack α and the Mach
number Ma) and in the airfoil geometry influence the solution (lift, drag, pressure coefficient and abso-
lute skin friction). Uncertainties in the Mach number and in the angle of attack weakly affect the lift
coefficient (1%−3%) and strongly affect the drag coefficient (around 14%). Uncertainties in the geom-
etry influence both the lift and drag coefficients weakly (less that 1%), but changes in the geometry were
also very small. Results obtained via collocation method on a sparse Gauss-Hermite grid are comparable
with Monte Carlo results, but require much less deterministic evaluations (and as a sequence - smaller
computing time).
From Tables 8 and 9 one can see that the results computed on a sparse Gauss-Hermite grid do not
converge. We note that to get reliable results with Monte Carlo methods one should perform 105-107
simulations, but it is impossible to do in a reasonable time (1 simulation with TAU code requires at least
10000 iterations and takes between 20 and 80 minutes). We performed 17000 simulations and this allows
us to make only approximate comparison.
To make statistical computational more efficient (linear complexity and linear storage besides quadratic
or even cubic) an additional research in this work was devoted to the low-rank approximation of the
results. We found out that all realisations of the solution can be approximated and stored in the low-rank
format. This format allows us to compute all important statistics with linear complexity and drastically
reduces memory requirements.
Acknowledgement. It is acknowledged that this research has been conducted within the project
MUNA under the framework of the German Luftfahrtforschungsprogramm funded by the Ministry
of Economics (BMWA). The authors would like also to thank Elmar Zandler for his matlab package
“Stochastic Galerkin library” [13].
References
[1] M. Loève. Probability theory I. Graduate Texts in Mathematics, Vol. 45, 46. Springer-Verlag, New York,
fourth edition, 1977.
[2] N. Wiener. The homogeneous chaos. American Journal of Mathematics, 60:897–936, 1938.
[3] T. Hida, Hui-Hsiung Kuo, J. Potthoff, and L. Streit. White noise - An infinite-dimensional calculus, volume
253 of Mathematics and its Applications. Kluwer Academic Publishers Group, Dordrecht, 1993.
[4] H. G. Matthies. Uncertainty quantification with stochastic finite elements. 2007. Part 1. Fundamentals.
Encyclopedia of Computational Mechanics.
[5] A. Klimke. Sparse grid interpolation toolbox: www.ians.uni-stuttgart.de/spinterp. 2008.
[6] B. N. Khoromskij, A. Litvinenko, and H. G. Matthies. Application of hierarchical matrices for computing
the Karhunen-Loève expansion. Computing, 84(1-2):49–67, 2009.
[7] B. N. Khoromskij and A. Litvinenko. Data sparse computation of the Karhunen-Loève expansion. Nu-
merical Analysis and Applied Mathematics: International Conference on Numerical Analysis and Applied
Mathematics, AIP Conf. Proc., 1048(1):311–314, 2008.
[8] C. Lanczos. An iteration method for the solution of the eigenvalue problem of linear differential and integral
operators. J. Research Nat. Bur. Standards, 45:255–282, 1950.
[9] Y. Saad. Numerical methods for large eigenvalue problems. Algorithms and Architectures for Advanced
Scientific Computing. Manchester University Press, Manchester, 1992.
[10] Matthew Brand. Fast low-rank modifications of the thin singular value decomposition. Linear Algebra Appl.,
415(1):20–30, 2006.
[11] L. Mirsky. Symmetric gauge functions and unitarily invariant norms. Quart. J. Math. Oxford Ser. (2), 11:50–
59, 1960.
13
[12] G. H. Golub and Ch. F. Van Loan. Matrix computations. Johns Hopkins Studies in the Mathematical Sciences.
Johns Hopkins University Press, Baltimore, MD, third edition, 1996.
[13] E. Zander. A malab/octave toolbox for stochastic galerkin methods:
http://ezander.github.com/sglib/. 2008.
[14] G. Kallianpur. Stochastic filtering theory, volume 13 of Applications of Mathematics. Springer-Verlag, New
York, 1980.
[15] H. Holden, B. Øksendal, J. Ubøe, and T. Zhang. Stochastic partial differential equations. Probability and its
Applications. Birkhäuser Boston Inc., Boston, MA, 1996. A modeling, white noise functional approach.
[16] S. Janson. Gaussian Hilbert spaces, volume 129 of Cambridge Tracts in Mathematics. Cambridge University
Press, Cambridge, 1997.
[17] Paul Malliavin. Stochastic analysis, volume 313 of Grundlehren der Mathematischen Wissenschaften [Fun-
damental Principles of Mathematical Sciences]. Springer-Verlag, Berlin, 1997.
7 Appendix A — Multi-Indices
In the above formulation, the need for multi-indices of arbitrary length arises. Formally they may be
defined by [4]
β = (β1,...,βj,...) ∈ J := N
(N)
0 , (16)
which are sequences of non-negative integers, only finitely many of which are non-zero. As by definition
0! := 1, the following expressions are well defined:
|β| :=
∞
∑
j=1
βj, (17)
β! :=
∞
∏
j=1
βj!, (18)
ℓ(β) := max{j ∈ N|βj > 0}. (19)
8 Appendix B — Hermite Polynomials
As there are different ways to define—and to normalise—the Hermite polynomials, a specific way has
to be chosen. In applications with probability theory it seems most advantageous to use the following
definition [14, 3, 15, 16, 17]:
hk(t) := (−1)k
et2/2 d
dt
k
e−t2/2
; ∀t ∈ R, k ∈ N0,
where the coefficient of the highest power of t —which is tk for hk —is equal to unity.
The first five polynomials are:
h0(t) = 1, h1(t) = t, h2(t) = t2
−1,
h3(t) = t3
−3t, h4(t) = t4
−6t2
+3.
The recursion relation for these polynomials is
hk+1(t) = t hk(t)−khk−1(t); k ∈ N.
These are orthogonal polynomials w.r.t standard Gaussian probability measure Γ, where
Γ(dt) = (2π)−1/2e−t2
/2 dt —the set {hk(t)/
√
k!|k ∈ N0} forms a complete orthonormal system (CONS)
in L2(R,Γ) —as the Hermite polynomials satisfy
Z ∞
−∞
hm(t)hn(t)Γ(dt) = n!δnm.
14
Multi-variate Hermite polynomials will be defined right away for an infinite number of variables, i.e. for
t = (t1,t2,...,tj,...) ∈ RN, the space of all sequences. This uses the multi-indices defined in Appendix
A: For α = (α1,...,αj,...) ∈ J remember that except for a finite number all other αj are zero; hence in
the definition of the multi-variate Hermite polynomial
Hα(t) :=
∞
∏
j=1
hαj (tj); ∀t ∈ RN
, α ∈ J,
except for finitely many factors all others are h0, which equals unity, and the infinite product is really a
finite one and well defined.
The space RN can be equipped with a Gaussian (product) measure, again denoted by Γ. Then the set
{Hα(t)/
√
α!| α ∈ J} is a CONS in L2(RN,Γ) as the multivariate Hermite polynomials satisfy
Z
RN
Hα(t)Hβ(t)Γ(dt) = α!δαβ,
where the Kronecker symbol is extended to δαβ = 1 in case α = β and zero otherwise.
15

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Sparse data formats and efficient numerical methods for uncertainties in numerical aerodynamics

  • 1. ECCM 2010 IV European Conference on Computational Mechanics Palais des Congrès, Paris, France, May 16-21, 2010 Sparse data formats and efficient numerical methods for uncertainties quantification in numerical aerodynamics A. Litvinenko1, H. G. Matthies2 Institute of Scientific Computing, Technical University of Braunschweig, Germany 1{litvinen}@tu-bs.de 2{wire}@tu-bs.de Abstract We research how uncertainties in the input data (parameters, coefficients, right-hand sides, bound- ary conditions, computational geometry) spread of in the solution. Since all realisations of random fields are too much information, we demonstrate an algorithm of their low-rank approximation. This algorithm is based on singular value decomposition and has linear complexity. This low-rank approx- imation allows us to compute main statistics such as the mean value, variance, exceedance probability with a linear complexity and with drastically reduced memory requirements. Keywords: uncertainty quantification, stochastic elliptic partial differential equations, Karhunen-Loève expansion, QR-algorithm, sparse data format, low-rank data format. 1 Introduction Nowadays the trend of numerical mathematics is often trying to resolve inexact mathematical models by very exact deterministic numerical methods. The reason of this inexactness is that almost each mathemat- ical model of a real world situation contains uncertainties in the coefficients, right-hand side, boundary conditions, initial data as well as in the computational geometry. All these uncertainties can affect the solution dramatically, which is, in its turn, also uncertain. The information of the interest usually is not the whole set of realisations of the solutions (too much data), but cumulative distribution function, den- sity function, mean value, variance, exceedance probability etc. We consider mathematical model described by (stohastic) Navier-Stokes equations, where uncertainties are represented via random fields. Efficient numerical solution of such stochastic system requires an appropriate discretisation of the deterministic operator as well as the stochastic fields (Section 2). The total number degrees of freedom (dofs) of the discrete model of the SPDE is the product of dofs of the deterministic and stochastic discretisations and can be, even after application of the truncated Karhunen- Loève expansion (KLE) [1] and polynomial chaos expansion (PCE) of Wiener [2], very high. In Section 3 we explain how we model uncertainties in the parameters angle of attack and Mach number, in the atmosphere (Section 3.2) and uncertainties in the geometry (Section 3.3). To avoid large memory re- quirements and to reduce computing time data sparse techniques for representation of input and output data (solution) are necessary. In Section 4 we compress the set of output random fields via the algorithm based on the singular value decomposition. The short idea is as follows. Let vi ∈ Rn, i = 1..Z, stochastic realisations of the solution (already centred). We build from all vectors vi the matrix W := [v1,...,vZ] ∈ Rn×Z and compute its low-rank approximation ˜W = ABT , where A ∈ Rn×k 1
  • 2. and B ∈ RZ×k. For every new vector vZ+1 an update for the matrices A and B is computed on the fly with a linear complexity. Section 5 is devoted to the numerical results, where we demonstrate the influence of uncertainties in the angle of attack α, in the Mach number Ma and in the airfoil geometry on the solution - drag, lift, pressure and friction coefficients. 2 Discretisation techniques By definition, the Karhunen-Loève expansion (KLE) of a random field κ(x,ω) is the following series [1] κ(x,ω) = Eκ(x)+ ∞ ∑ ℓ=1 λℓφℓ(x)ξℓ(ω), (1) where ξℓ(ω) are uncorrelated random variables and Eκ(x) is the mean value of κ(x,ω), λℓ and φℓ are the eigenvalues and the eigenvectors of problem Tφℓ = λℓφℓ, φℓ ∈ L2 (G), ℓ ∈ N, (2) and operator T is defined like follows T : L2 (G) → L2 (G), (Tφ)(x) := Z G covκ(x,y)φ(y)dy, where covκ(x,y) a given covariance function and G a computational domain. Throwing away all unim- portant terms in (1), one obtains the truncated KLE, which is a sparse representation of the random field κ(x,ω). Each random variable ξℓ can be, in its turn, approximated in a set of new independent Gaussian random variables (polynomial chaos expansions (PCE) of Wiener [3, 2]), e.g. ξℓ(ω) = ∑ β∈J ξ (β) ℓ Hβ(θ(ω)), (3) where θ(ω) = (θ1(ω),θ2(ω),...), ξ (β) ℓ are coefficients, Hβ, β ∈ J, is a Hermitian basis and J := {β|β = (β1,...,βj,...), βj ∈ N0} a multi-index set (see Appendix or [4]). Computing the truncated PCE for each random variable in KLE, one can make representation of the random field (1) even more sparse. Since Hermite polynomials are orthogonal, the coefficients ξ (β) ℓ in (3) scan be computed by projection ξ (β) ℓ = 1 β! Z Θ Hβ(θ)ξℓ(θ)P(dθ). This multidimensional integral over Θ can be computed approximately, for example, on a sparse Gauss- Hermite grid ξ (β) ℓ = 1 β! n ∑ i=1 Hβ(θi)ξℓ(θi)wi, (4) where weights wi and points θi are defined from sparse Gauss-Hermite integration rule. The algorithms for construction of sparse Gauss-Hermite grids are well known (e.g., [5]). Examples of two dimensional sparse Gauss-Hermite grids (αi, Mai), i = 1..n, n = 13,29,137 are shown in Fig. 1. After a finite element discretisation (see [6] for more details) the discrete eigenvalue problem (2) looks like MCMφℓ = λh ℓ Mφℓ, Cij = covκ(xi,yj). (5) Here the mass matrix M is stored in a usual data sparse format and the dense matrix C ∈ Rn×n (requires O(n2) units of memory) is approximated in the sparse H -matrix format [6] (requires only O(nlogn) units of memory) or in the Kronecker low-rank tensor format [7]. To compute m eigenvalues (m ≪ n) and corresponding eigenvectors we apply the Lanczos eigenvalue solver [8, 9]. 2
  • 3. Figure 1: Sparse Gauss-Hermite grids for the uncertain angle of attack α ′ and the Mach number Ma ′ , n = {13, 29, 137}. 3 Statistical modelling of uncertainties We have implemented two different strategies to research simultaneous propagation of uncertainties in the angle of attack α and in the Mach number Ma. In the first strategy (Section 3.1) we assumed that the mean values and standard deviations for the random variables α and Ma are given. Then for each pair αi and Mai of a sparse Gauss-Hermite grid we compute the solution with help of the deterministic code (TAU code). After that statistical functionals of interest are computed. Since sparse Gauss-Hermite grid methods may be unstable, we compare the obtained results with the results of Monte Carlo simulations. In the second strategy (Section 3.2), we assume that the turbulence in the atmosphere randomly and simultaneously changes the velocity vector and the angle of attack (see Fig. 2). We model turbulence in the atmosphere by two additionally axes-parallel velocity vectors v1 and v2, which have Gaussian distribution. 3.1 Distribution functions of α and Ma are given In real-life applications distribution functions of the Mach number Ma and the angle of attack α are unknown. As a start point we consider the uniform and the Gaussian distributions. For our further numerical experiments we choose mean values and standard deviations as in Table 4. The Reynolds number is Re = 6.5e+6 and the computational geometry is RAE-2822 airfoil. 3.2 Modelling of turbulence in the atmosphere In this section we describe how uncertainties in the turbulence in the atmosphere influence on the angle of attack α and on the Mach number (see Fig. 2). One should not mix this kind of turbulence with the turbulence in the boundary layer reasoned by friction. We assume that turbulence vortices in the atmosphere are comparable with the size of the airplane. We model the turbulence in the atmosphere via two vectors α v v u u’ α’ v1 2 Figure 2: Two random vectors v1 and v2 model turbulence in the atmosphere. Airfoil, the old and new freestream velocities u and u ′ , the old and new angles of attack α and α ′ . 3
  • 4. v1 = σθ1 √ 2 and v2 = σθ2 √ 2 . (6) where θ1 and θ2 two Gaussian random variables with zero mean and unit variance, σ = Iu∞ the standard deviation of the turbulent velocity fluctuations, I the mean turbulence intensity and u∞ is the freestream velocity. Denoting θ := θ2 1 +θ2 2, then v := v2 1 +v2 2 = Iu∞√ 2 θ and β := arctgv2 v1 . After easy computations the new angle of attack will be as follows α ′ = arctg sinα+zsinβ cosα−zcosβ , where z := Iθ √ 2 (7) and the new Mach number Ma ′ = Ma 1+ I2θ2 2 − √ 2Iθcos(β+α). (8) By default, in the TAU code, the mean turbulence intensity is I = 0.001. Thus, alternatively to the way of modelling introduced in Sec. 3.1, uncertainties in the angle of at- tack α ′ = α ′ (θ1,θ2) and in the Mach number Ma ′ = Ma ′ (θ1,θ2) are described via two standard normal variables θ1 and θ2. This is the second way of modelling. 3.3 Uncertainties in geometry We model uncertainties in geometry by the usage of random field ∂Gε(ω) = {x+εκ(x,ω)n(x) : x ∈ ∂G}. (9) where κ(x,ω) is a random field, n(x) a normal vector in point x and ε a small parameter. To generate Z realisations of uncertain airfoil (e.g., for MC or collocation methods) we follow to the Algorithm below: 1. Assume cov. function cov(p1, p2) for random field κ(x,ω) is given 2. Compute Cij := cov(pi, pj) for all grid points (in a sparse data format!) 3. Solve eigenproblem (5) 4. Each random vector ξ = (ξ1(ω),...,ξm(ω)) results new airfoil κ(x,ω) ≈ ∑m i=1 √ λiφiξi(ω). Sparse approximation of the dense matrix C is done in [6, 7]. In Fig. 3 one can see 69 realisations of RAE-2822 airfoil with uncertainties in geometry. The largest uncertainties in the airfoil geometry are in the position x ≈ 0.58. The used covariance function is of Gaussian type: cov(p1, p2) = σ2 ·exp(−ρ2 ), (10) where σ is a parameter, p1 = (x1,x2), p2 = (y1,y2) ∈ G two points, ρ(p1, p2) = 2 ∑ i=1 |xi −yi|2/l2 i , and li are correlation length scales. (11) The influence of uncertainties in the airfoil geometry on the solution will be researched as follows: 4
  • 5. Figure 3: 69 realisations of RAE-2822 airfoil. Algorithm: (Computation and usage of the response surface) 1. Compute m eigenpairs of the discrete eigenvalue problem Eq. (5). 2. Generate a sparse Gauss-Hermite grid in m-dimensional space. Denote the number of grid points by N. 3. For each grid point θ = (θ1,...,θm) from item (2) compute KLE (1). Each KLE is a new airfoil geometry γ(x,θ). 4. For each new airfoil solve the problem (call the deterministic code). 5. Using the solution from item (4) and Hermite polynomials build the response surface. 6. Generate 106 points in m-dimensional space and evaluate response surface in these points. 7. Using the values form item (6) compute statistical functionals of interest. 4 Data compression A large number of stochastic realisations requires a large amount of memory and computational re- sources. To decrease memory requirements and the computing time we offer to use a low-rank approxi- mation for all realisations of input and output random fields. For each new realisation only corresponding low-rank update is computed (see, e.g. [10]). It can be practical when, e.g. many thousands Monte Carlo simulations are computed and stored. Let vi ∈ Rn be the solution vector (already centred), where i = 1..Z a number of stochastic realisations of the solution. Build from all these vectors the matrix W = (v1,...,vZ) ∈ Rn×Z. Consider the factorization W = ABT where A ∈ Rn×k and B ∈ RZ×k . (12) Definition 1 We say that matrix W is a rank-k matrix if the representation (12) is given. We denote the class of all rank-k matrices for which factors A and BT in (12) exist by R (k,n,Z). If W ∈ R (k,n,Z) we say that W has a low-rank representation. 5
  • 6. The first aim is to compute a rank-k approximation ˜W of W, such that W − ˜W < ε, k ≪ min{n,Z}. The second aim is to compute an update for the approximation ˜W with a linear complexity for every new coming vector vZ+1. Below we present the algorithm which does this. To get the reduced singular value decomposition we omit all singular values, which are smaller than some level ε or, alternative variant, we leave a fixed number of largest singular values. After truncation we speak about reduced singular value decomposition (denoted by rSVD) ˜W = ˜U ˜Σ ˜VT , where ˜U ∈ Rn×k contains the first k columns of U, ˜V ∈ RZ×k contains the first k columns of V and ˜Σ ∈ Rk×k contains the k-biggest singular values of Σ. There is theorem (see more in [11] or [12]) which tells that matrix ˜W is the best approximation of W in the class of all rank-k matrices. The computation of such basic statistics as the mean value, the variance, the exceedance probability can be done with a linear complexity. The following examples illustrate computation of the mean value and the variance. Let W = (v1,...,vZ) ∈ Rn×Z and its rank-k representation W = ABT , A ∈ Rn×k, BT ∈ Rk×Z be given. Denote the j-th row of matrix A by aj ∈ Rk and the i-th column of matrix BT by bi ∈ Rk. 1. One can compute the mean solution v ∈ Rn as follows v = 1 Z Z ∑ i=1 vi = 1 Z Z ∑ i=1 A·bi = Ab, (13) The computational complexity is O(k(Z +n)), besides O(nZ)) for usual dense data format. 2. One can compute the mean value of the solution in a grid point xj as follows v(xj) = 1 Z Z ∑ i=1 vi(xj) = 1 Z Z ∑ i=1 aj ·bT i = ajb. (14) The computational complexity is O(kZ). 3. One can compute the variance of the solution var(v) ∈ Rn by the computing the covariance matrix and taking its diagonal. First, we compute the centred matrix Wc :=W −WeT , where W =W ·e/Z and e = (1,...,1)T . Computing Wc costs O(k2(n+Z)) (addition and truncation of rank-k matrices). By definition, the covariance matrix is cov = WcWT c . The reduced singular value decomposition of Wc is Wc = UΣVT , Σ ∈ Rk×k, can be computed with a linear complexity via the QR algorithm (Section 4.1). Now, the covariance matrix can be written like cov = WcWT c = UΣVT VΣT UT = UΣΣT UT . (15) The variance of the solution vector (i.e. the diagonal of the covariance matrix in (15)) can be computed with the complexity O(k2(Z +n)). 4. One can compute the variance value var(v(xj)) in a grid point xj with a linear computational cost. 5. To compute minimum or maximum of the solution in a point xj over all realisations cost O(kZ). 6
  • 7. 4.1 Low-rank update with linear complexity Let W = ABT ∈ Rn×Z and matrices A and B be given. An rSVD W = UΣVT can be computed efficiently in three steps (QR algorithm for computing the reduced SVD): 1. Compute (reduced) a QR-factorization of A = QARA and B = QBRB, where QA ∈ Rn×k, QB ∈ RZ×k, and upper triangular matrices RA,RB ∈ Rk×k. 2. Compute an reduced SVD of RART B = U′ΣV′T . 3. Compute U := QAU′, V := QAV′T . QR-decomposition can be done faster if a part of matrix A (B) is orthogonal (see [10]). The first and third steps need O((n+ Z)k2) operations and the second step needs O(k3). The total complexity of rSVD is O((n+Z)k2 +k3). Suppose we have already matrix W = ABT ∈ Rn×Z containing solution vectors. Suppose also that matrix W ′ ∈ Rn×m contains new m solution vectors. For the small matrix W ′ , computing the factors C and DT such that W ′ = CDT is not expensive. Now our purpose is to compute with a linear complexity the new matrix Wnew ∈ Rn×(Z+m) in the rank-k format. To do this, we build two concatenated matrices Anew := [AC] ∈ Rn×2k and BT new = blockdiag[BT DT ] ∈ R2k×(Z+m). Note that the difficulty now is that matrices Anew and Bnew have rank 2k. To truncate the rank from 2k to k we use the QR-algorithm above. Obtain Wnew = UΣVT = U(VΣT )T = AnewBT new, where Anew ∈ Rn×k and BT new ∈ Rk×(Z+m). Thus, the “update” of the matrix W is done with a linear complexity O((n+Z)k2 +k3 +(n+Z)k2). 5 Numerics Further numerical results are obtained in the MUNA project. We demonstrate the influence of uncertain- ties in the angle of attack, the Mach number and the airfoil geometry on the solution (the lift, drag, lift coefficient and skin friction coefficient). As an example we consider two-dimensional RAE-2822 airfoil. The deterministic solver is the TAU code with k-w turbulence model. We assume that α and Ma are Gaussian with means α = 2.79, Ma = 0.734 and the standard deviations σ(α) = 0.1 and σ(Ma) = 0.005. Table 1 demonstrates application of the collocation method computed in grid points of the sparse Gauss- Hermite two-dimensional grid (Z = 5 deterministic evaluations). The Hermite polynomials are of order 1 with two random variables (see (3)). In the last column we compute the measure of uncertainty σ/mean. It shows that 3.6% and 0.7% of uncertainties in α and in Ma correspondingly result in 2.1% and 15.1% of uncertainties in the lift CL and drag CD. In Fig.4 we compare the cumulative distribution and density functions for the lift and drag, obtained via the response surface (PCE of order 1) and via 6360 Monte Carlo simulations. To get a large sample we use sparse Gauss-Hermite grids (with 13 and 29 nodes) to build corresponding response surfaces and then perform 106 MC evaluations on each response surface. Thus, one can see that very cheap colloca- tion method (13 or 29 deterministic evaluations) produces similar to MC method with 6360 simulations. But, at the same time we can not say which result is more precise. The exact solution is unknown and 6360 MC simulations are too few. 7
  • 8. mean st. dev. σ σ/mean α 2.79 0.1 0.036 Ma 0.734 0.005 0.007 CL 0.853 0.018 0.021 CD 0.0206 0.0031 0.151 Table 1: Uncertainties in the input parameters (α and Ma) and in the solution (CL and CD). PCE of order 1 and sparse Gauss-Hermite grid with 5 points. Figure 4: Density functions (first row), cumulative distribution functions (second row) of CL (left) and CD (right). PCE is of order 1 with two random variables. Three graphics computed with 6360 MC simulations, 13 and 29 collocation points. 8
  • 9. The graphics in Fig. 5 demonstrate error bars [mean−σ,mean+σ], σ the standard deviation, for the pressure coefficient cp and absolute skin friction cf in each surface point of the RAE2822 airfoil. The data are obtained from 645 realisation of the solution. One can see that the largest error occur at the shock (x ≈ 0.6). A possible explanation is that the shock position is expected to slightly change with varying parameters α and Ma. Figure 5: Error bars [mean − σ, mean + σ], σ standard deviation, in each point of RAE2822 airfoil for the cp and cf. To decrease memory requirements we write all Z = 645 realisations of the solution as matrices ∈ R512×645 and compute their rank-k approximations. In Table 2 one can see dependence of the rela- tive error (in the spectral norm) on the rank k. Additionally, one can also see much smaller memory requirement (dense matrix format costs 2.6MB). Fig. 6 demonstrates decay of 100 largest eigenvalues of four matrices, corresponding to the pressure, density, pressure coefficient cp and absolute skin friction cf. Each matrix belongs to the space R512×645. In Table 3 one can see dependence of the relative error rank k 2 5 10 20 D− ˜Dk 2/ D 2 6.6e-1 4.1e-2 3.5e-3 3.5e-4 P− ˜Pk 2/ P 2 6.9e-1 8.4e-2 8.2e-3 7.2e-4 CP− ˜CPk 2/ CP 2 6.0e-3 5.3e-4 3.2e-5 2.4e-6 CF − ˜CFk 2/ CF 2 9.0e-3 7.7e-4 4.6e-5 3.5e-6 memory, kB 18 46 92 185 Table 2: Accuracy and memory requirements of the rank-k approximation of the solution matrices D = [density], P = [pressure], CP = [cp]; CF = [cf] ∈ R512×645. (in the Frobenious norm) on the rank k. Seven solution matrices contain pressure, density, turbulence kinetic energy (tke), turbulence omega (to), eddy viscosity (ev), x-velocity (xv), z-velocity (zv) in the whole computational domain with 260000 dofs. Additionally, one can also see much smaller memory requirement (dense matrix format costs 1.25GB). 9
  • 10. 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 −20 −15 −10 −5 0 5 log, #eigenvalues log,values pressure density cp cf Figure 6: Decay (in log-scales) of 100 largest eigenvalues of the matrices constructed from 645 solutions (pressure, density, cf, cp) on the surface of RAE-2822 airfoil. rank k pressure density tke to ev xv zv memory, MB 10 1.9e-2 1.9e-2 4.0e-3 1.4e-3 1.4e-3 1.1e-2 1.3e-2 21 20 1.4e-2 1.3e-2 5.9e-3 3.3e-4 4.1e-4 9.7e-3 1.1e-2 42 50 5.3e-3 5.1e-3 1.5e-4 9.1e-5 7.7e-5 3.4e-3 4.8e-3 104 Table 3: Relative errors and memory requirements of rank-k approximations of the solution matrices ∈ R260000×600. Memory required for the storage of each matrix in the dense matrix format is 1.25 GB. 5.1 α and Ma have Gaussian distribution For further numerical experiments we choose mean values and standard deviations as in Table 4. Table 5 demonstrates application of sparse Gauss-Hermite two-dimensional grids with n = {5, 13, 29} mean st. deviation, σ σ/mean Angle of attack, α 2.790 0.1 0.036 Mach number, Ma 0.734 0.005 0.007 Table 4: Mean values and standard deviations grid points. The Hermite polynomials (see Eq. 3) are of order 1 with two random variables. In the last column we compute the measure of uncertainty σ/mean. For instance, for n = 5 it shows that 3.6% and 0.7% (Table 4) of uncertainties in α and in Ma correspondingly result in 2.1% and 15.1% of uncertainties in the lift and drag coefficients (Table 5). These three grids show very similar results in the mean value and in the standard deviation. At the same time the results obtained via 1500 MC simulations are very similar to the results computed on all three sparse Gauss-Hermite grids. May be sparse grids produce similar results only for “simple” stochastic functionals (mean, variance)? In Fig. 4 we compare the cumulative distribution and density functions for the lift and drag coefficients, 10
  • 11. n mean st. dev. σ σ/mean 5 CL 0.8530 0.0180 0.021 CD 0.0206 0.0031 0.151 13 CL 0.8530 0.0174 0.020 CD 0.0206 0.0030 0.146 29 CL 0.8520 0.0180 0.021 CD 0.0206 0.0031 0.151 MC 1500 CL 0.8525 0.0172 0.020 CD 0.0206 0.0030 0.146 Table 5: Uncertainties obtained on sparse Gauss-Hermite grids with 5 ,13, 29 points and with 1500 MC simulations. obtained via PCE and via 6300 Monte Carlo simulations. The response surface is PCE of order 1. There are 106 MC evaluations of the response surface. Again, we see very similar graphics. Thus, one can make conclusion that the sparse Gauss-Hermite grid with a small number of points, e.g. n = 13, produces similar to MC results. Table 6 demonstrates statistics obtained for the case when random variables α and Ma have uniform distribution. Comparing Table 6 with Table 5 one can see that, in the case of uniform distribution of uncertain parameters, the uncertainties in the lift and drag coefficients are smaller. Namely, 1.2% and 8.8% (for CL and CD) against 2% and 14.6% in the case of the Gaussian distribution. But, uncertainties in the input parameters α and Ma, in the case of the uniform distribution, are also smaller: 2.1% and 0.4% against 3.5% and 0.7%. mean st. dev. σ σ/mean α 2.787 0.058 0.021 Ma 0.734 0.003 0.004 CL 0.853 0.0104 0.012 CD 0.0205 0.0018 0.088 Table 6: Statistic obtained from 3800 MC simulations, α and Ma have uniform distribution. 5.2 α(θ1,θ2), Ma(θ1,θ2), where θ1, θ2 have Gaussian distributions In this section we illustrate numerical results for the model described in Section 3.2. Table 7 shows statistics (the mean value and the standard deviation), computed on sparse Gauss-Hermite grids with n = 137 grid points. Table 8 compares uncertainties computed on sparse Gauss-Hermite grids with n = {137, 381, 645} nodes with the uncertainties computed by the MC method (17000 simulations). All three grids and MC forecast very similar uncertainties σ/mean in the drag coefficient CD and in the lift coefficient CL. mean st. dev. σ σ/mean α 2.8 0.2 0.071 Ma 0.73 0.0026 0.004 CL 0.85 0.0373 0.044 CD 0.01871 0.00305 0.163 Table 7: Statistics obtained on sparse Gauss-Hermite grid with 137 points. 11
  • 12. n 137 381 645 MC, 17000 σCL CL 0.044 0.042 0.042 0.045 σCD CD 0.163 0.159 0.16 0.159 |CL−CL0| CL 7.6e-4 1.3e-3 1.6e-3 4.2e-4 |CD−CD0| CD 1.66e-2 1.46e-2 1.4e-2 2.1e-2 Table 8: Comparison of results obtained by a sparse Gauss-Hermite grid (n grid points) with 17000 MC simulations. Table 9 compares relative errors computed on different sparse Gauss-Hermite grids. One can see that the errors are very small. But this table tells only that sparse Gauss-Hermite grid with n points can be successfully used to compute the mean values CL and CD. n 137 381 645 |CLn−CLMC| CLMC ·100% 0.1% 0.1% 0.1% |CDn−CDMC| CDMC ·100% 0.4% 0.6% 0.7% Table 9: Comparison of mean values obtained by MC simulations and by sparse Gauss-Hermite grid with n grid points. 5.3 Uncertainties in the geometry We follow the Algorithm described in Section 3.3. The number of KLE terms is m = 3. The covariance function is of Gaussian type cov(p1, p2) = σ2 ·exp(−ρ2 ), ρ = |x1 −x2|2/l2 1 +|z1 −z2|2/l2 2, where σ = 10−3, p1 = (x1,0,z1), p2 = (x2,0,z2), the covariance lengths l1 = |maxi(x)−mini(x)|/10 and l2 = |maxi(z) − mini(z)|/10. Stochastic dimension is 3 and number of sparse Gauss-Hermite points is 25. Table 10 demonstrate the computed statistics. Surprisingly small are uncertainties in the CL and CD — 0.58% and 0.65% correspondingly. A possible explanation can be a small uncertain perturbations in the airfoil geometry. mean st. dev. σ σ/mean CL 0.8552 0.0049 0.0058 CD 0.0183 0.00012 0.0065 Table 10: Statistics obtained for uncertainties in the geometry. Gaussian covariance function was used. PCE of order 1 with 3 random variables. Sparse Gauss-Hermite grid contains 25 points. 12
  • 13. 6 Conclusion In this work we researched how uncertainties in the input parameters (the angle of attack α and the Mach number Ma) and in the airfoil geometry influence the solution (lift, drag, pressure coefficient and abso- lute skin friction). Uncertainties in the Mach number and in the angle of attack weakly affect the lift coefficient (1%−3%) and strongly affect the drag coefficient (around 14%). Uncertainties in the geom- etry influence both the lift and drag coefficients weakly (less that 1%), but changes in the geometry were also very small. Results obtained via collocation method on a sparse Gauss-Hermite grid are comparable with Monte Carlo results, but require much less deterministic evaluations (and as a sequence - smaller computing time). From Tables 8 and 9 one can see that the results computed on a sparse Gauss-Hermite grid do not converge. We note that to get reliable results with Monte Carlo methods one should perform 105-107 simulations, but it is impossible to do in a reasonable time (1 simulation with TAU code requires at least 10000 iterations and takes between 20 and 80 minutes). We performed 17000 simulations and this allows us to make only approximate comparison. To make statistical computational more efficient (linear complexity and linear storage besides quadratic or even cubic) an additional research in this work was devoted to the low-rank approximation of the results. We found out that all realisations of the solution can be approximated and stored in the low-rank format. This format allows us to compute all important statistics with linear complexity and drastically reduces memory requirements. Acknowledgement. It is acknowledged that this research has been conducted within the project MUNA under the framework of the German Luftfahrtforschungsprogramm funded by the Ministry of Economics (BMWA). The authors would like also to thank Elmar Zandler for his matlab package “Stochastic Galerkin library” [13]. References [1] M. Loève. Probability theory I. Graduate Texts in Mathematics, Vol. 45, 46. Springer-Verlag, New York, fourth edition, 1977. [2] N. Wiener. The homogeneous chaos. American Journal of Mathematics, 60:897–936, 1938. [3] T. Hida, Hui-Hsiung Kuo, J. Potthoff, and L. Streit. White noise - An infinite-dimensional calculus, volume 253 of Mathematics and its Applications. Kluwer Academic Publishers Group, Dordrecht, 1993. [4] H. G. Matthies. Uncertainty quantification with stochastic finite elements. 2007. Part 1. Fundamentals. Encyclopedia of Computational Mechanics. [5] A. Klimke. Sparse grid interpolation toolbox: www.ians.uni-stuttgart.de/spinterp. 2008. [6] B. N. Khoromskij, A. Litvinenko, and H. G. Matthies. Application of hierarchical matrices for computing the Karhunen-Loève expansion. Computing, 84(1-2):49–67, 2009. [7] B. N. Khoromskij and A. Litvinenko. Data sparse computation of the Karhunen-Loève expansion. Nu- merical Analysis and Applied Mathematics: International Conference on Numerical Analysis and Applied Mathematics, AIP Conf. Proc., 1048(1):311–314, 2008. [8] C. Lanczos. An iteration method for the solution of the eigenvalue problem of linear differential and integral operators. J. Research Nat. Bur. Standards, 45:255–282, 1950. [9] Y. Saad. Numerical methods for large eigenvalue problems. Algorithms and Architectures for Advanced Scientific Computing. Manchester University Press, Manchester, 1992. [10] Matthew Brand. Fast low-rank modifications of the thin singular value decomposition. Linear Algebra Appl., 415(1):20–30, 2006. [11] L. Mirsky. Symmetric gauge functions and unitarily invariant norms. Quart. J. Math. Oxford Ser. (2), 11:50– 59, 1960. 13
  • 14. [12] G. H. Golub and Ch. F. Van Loan. Matrix computations. Johns Hopkins Studies in the Mathematical Sciences. Johns Hopkins University Press, Baltimore, MD, third edition, 1996. [13] E. Zander. A malab/octave toolbox for stochastic galerkin methods: http://ezander.github.com/sglib/. 2008. [14] G. Kallianpur. Stochastic filtering theory, volume 13 of Applications of Mathematics. Springer-Verlag, New York, 1980. [15] H. Holden, B. Øksendal, J. Ubøe, and T. Zhang. Stochastic partial differential equations. Probability and its Applications. Birkhäuser Boston Inc., Boston, MA, 1996. A modeling, white noise functional approach. [16] S. Janson. Gaussian Hilbert spaces, volume 129 of Cambridge Tracts in Mathematics. Cambridge University Press, Cambridge, 1997. [17] Paul Malliavin. Stochastic analysis, volume 313 of Grundlehren der Mathematischen Wissenschaften [Fun- damental Principles of Mathematical Sciences]. Springer-Verlag, Berlin, 1997. 7 Appendix A — Multi-Indices In the above formulation, the need for multi-indices of arbitrary length arises. Formally they may be defined by [4] β = (β1,...,βj,...) ∈ J := N (N) 0 , (16) which are sequences of non-negative integers, only finitely many of which are non-zero. As by definition 0! := 1, the following expressions are well defined: |β| := ∞ ∑ j=1 βj, (17) β! := ∞ ∏ j=1 βj!, (18) ℓ(β) := max{j ∈ N|βj > 0}. (19) 8 Appendix B — Hermite Polynomials As there are different ways to define—and to normalise—the Hermite polynomials, a specific way has to be chosen. In applications with probability theory it seems most advantageous to use the following definition [14, 3, 15, 16, 17]: hk(t) := (−1)k et2/2 d dt k e−t2/2 ; ∀t ∈ R, k ∈ N0, where the coefficient of the highest power of t —which is tk for hk —is equal to unity. The first five polynomials are: h0(t) = 1, h1(t) = t, h2(t) = t2 −1, h3(t) = t3 −3t, h4(t) = t4 −6t2 +3. The recursion relation for these polynomials is hk+1(t) = t hk(t)−khk−1(t); k ∈ N. These are orthogonal polynomials w.r.t standard Gaussian probability measure Γ, where Γ(dt) = (2π)−1/2e−t2 /2 dt —the set {hk(t)/ √ k!|k ∈ N0} forms a complete orthonormal system (CONS) in L2(R,Γ) —as the Hermite polynomials satisfy Z ∞ −∞ hm(t)hn(t)Γ(dt) = n!δnm. 14
  • 15. Multi-variate Hermite polynomials will be defined right away for an infinite number of variables, i.e. for t = (t1,t2,...,tj,...) ∈ RN, the space of all sequences. This uses the multi-indices defined in Appendix A: For α = (α1,...,αj,...) ∈ J remember that except for a finite number all other αj are zero; hence in the definition of the multi-variate Hermite polynomial Hα(t) := ∞ ∏ j=1 hαj (tj); ∀t ∈ RN , α ∈ J, except for finitely many factors all others are h0, which equals unity, and the infinite product is really a finite one and well defined. The space RN can be equipped with a Gaussian (product) measure, again denoted by Γ. Then the set {Hα(t)/ √ α!| α ∈ J} is a CONS in L2(RN,Γ) as the multivariate Hermite polynomials satisfy Z RN Hα(t)Hβ(t)Γ(dt) = α!δαβ, where the Kronecker symbol is extended to δαβ = 1 in case α = β and zero otherwise. 15