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Efficient Sobol Index Computation

This document describes an algorithm for efficiently computing Sobol sensitivity indices that requires fewer model evaluations than previous methods. The algorithm creates sample matrices and evaluates the model at sample points from the matrices. It then estimates first-order and total Sobol indices by taking the means of model responses with different sample columns. This allows approximating variances and expectations to compute the indices using fewer model runs compared to previous Monte Carlo methods.

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0% found this document useful (0 votes)
17 views3 pages

Efficient Sobol Index Computation

This document describes an algorithm for efficiently computing Sobol sensitivity indices that requires fewer model evaluations than previous methods. The algorithm creates sample matrices and evaluates the model at sample points from the matrices. It then estimates first-order and total Sobol indices by taking the means of model responses with different sample columns. This allows approximating variances and expectations to compute the indices using fewer model runs compared to previous Monte Carlo methods.

Uploaded by

zoranperovic3
Copyright
© All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

Implementation Algorithm

Since the computation of the Sobol indices requires high-dimensional integration, the indices
are approximated numerically. If one uses M Monte Carlo evaluations to approximate the mean
E(Y |qi ) and repeats the procedure M times to approximate the variance var[E(Y |qi )], a total of M 2
evaluations will be required to evaluate a single index. The total number of function evaluations
required is M 2 p, which is computationally prohibitive for a large parameter dimensions p. This
motivated the author of [2] to provide a more efficient algorithm to compute Sobol indices that
reduces the required evaluations to M (p+2), based on Sobol’s original approach in [4]. The algorithm
was further improved by the authors of [3, 5, 6] and is summarized here.

Algorithm
1. Create two sample matrices A and B
 1
q1 . . . qi1 . . . qp1 q̂11 q̂i1 q̂p1
  
... ...
 .. ..  , and B =  .. ..  .
A= . .   . .  (1)
q1M ... qiM M
. . . qp q̂1M ... q̂iM M
. . . q̂p

The entries qij and q̂ij are pseudo-random numbers drawn from the respective densities.
(i)
2. Create AB
q11 q̂i1 qp1
 
... ...
=  ... .. 
(i)
AB (2)

. 
q1M ... q̂iM M
. . . qp
(i)
which is the matrix A except that ith column is taken from B. Similarly, create BA .

3. Create C which is the matrix B appended to matrix A such that


 
A
C =  − . (3)
B

This matrix is used when estimating the total variance.


(i) (i)
4. Compute column vectors f (A), f (B), f (AB ) and f (BA ) by evaluating the model at input
(i) (i)
values from the rows of matrices A, B, AB and BA . Let f (A)j denote the output computed
from the j th row of A. The computation of f (A) and f (B) requires 2M model evaluations,
(i) (i)
whereas the evaluation of f (AB ) and f (BA ) for i = 1, . . . , p requires 2M p evaluations. The
total number of model evaluations is 2M (1 + p).

5. Estimate the Sobol indices. The first-order Sobol indices are approximated by
M
1 Xh (i)
i
f (A)j f (BA )j − f (A)j f (B)j
M
j=1
Si ≈ 2M
(4)
1 X
f (C)j f (C)j − E2 [f (C)]
2M
j=1

1
and the total Sobol indices are approximated by
M
1 Xh (i)
i2
f (A)j − f (AB )j
2M
j=1
ST i ≈ 2M
. (5)
1 X
f (C)j f (C)j − E2 [f (C)]
2M
j=1

In the last step, variances are approximated using Monte Carlo approximation. The denominator
1 P2M
in (4) and (5) is the approximation for the total variance with E(Y 2 ) ≈ 2M j=1 f (C)j f (C)j and
2 1 PM (i)
(E(Y )) approximates the squared expectation of f (C). In (4), the term M j=1 f (A)j f (BA )j
approximates E(E(Y |qi ))2 . In essence, we are taking the mean of responses when all input parameters
(i)
are varied except qi . The effect of qi is fixed since the ith column is the same in both A and BA .
The second term in (4),
M
1 X
f (A)j f (B)j , (6)
M
j=1

represents the squared mean, f02 , using the identity


Z
2
f0 = f (x)f (x0 )dxdx0 . (7)
Γ2

This approximation is shown in [5] to reduce the loss of accuracy when computing D, compared to
  
M M
1 X 1 X
f02 ≈  f (A)j   f (B)j  , (8)
M M
j=1 j=1

which is used in the previous versions of the algorithm.


The computation of ST i follows from the derivations in [1], which uses the approximation
M
1 Xh (i)
i2
E[var(Y |q∼i )] ≈ f (A)j − f (AB )j (9)
2M
j=1

instead of the approximation


M
1 X (i)
var[E(Y |q∼i )] ≈ f (A)j f (AB )j − f02 (10)
M
j=1

The comparison of different versions of the algorithm can be found in [3].

References
[1] Jansen, M. J. W., “Analysis of variance designs for model output,” Computer Physics Commu-
nications, 117(1-2), pp. 35-43, 1999.

[2] Saltelli, A., “Making best use of model evaluations to compute sensitivity indices,” Computer
Physics Communications, 145(2), pp. 280–297, 2002.

2
[3] Saltelli, A. and Annoni, P. and Azzini, I. and Campolongo, F. and Ratto, M. and Tarantola, S.,
“Variance based sensitivity analysis of model output. Design and estimator for the total sensitivity
index,” Computer Physics Communications, 181(2), pp. 259–270, 2010.

[4] Sobol’, I. M., “Global sensitivity indices for nonlinear mathematical models and their Monte
Carlo estimates,” Mathematics and Computers in Simulation, 55(1-3), pp. 271–280, 2001.

[5] Sobol’, I. M. and Tarantola, S. and Gatelli, D. and Kucherenko, S. S. and Mauntz, W, “Estimating
the approximation error when fixing unessential factors in global sensitivity analysis,” Reliability
Engineering & System Safety, 92(7), pp. 957–960, 2007.

[6] Weirs, V. G. and Kamm, J. R. and Swiler, L. P. and Tarantola, S. and Ratto, M. and Adams,
B. M. and Rider, W. J. and Eldred, M. S., “Sensitivity analysis techniques applied to a system of
hyperbolic conservation laws,” Reliability Engineering & System Safety, 107, pp. 157–170, 2012.

Common questions

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Monte Carlo approximations in this alternative algorithm are integrated through a series of model evaluations using sample matrices A, B, A(i)_B, and B(i)_A. The process involves calculating expectation components E(Y|q_i) and variances var[E(Y|q_i)], using data derived from these matrices. Monte Carlo approximations facilitate the computation of such expectations and variances by leveraging repeated random sampling to achieve numerical approximations, reducing computational expense while maintaining accuracy in estimating both first-order and total Sobol indices .

The improvements in the algorithm hold significant implications for practical applications involving high-dimensional models, including reduced computational load and faster execution times. This makes sensitivity analysis more feasible for complex systems, enabling better understanding and management of model uncertainties and dependencies across numerous parameters. Consequently, these improvements facilitate broader applicability in fields requiring high-dimensional analysis, such as finance, engineering, and environmental science, allowing researchers and practitioners to derive insights with limited computational resources .

The new Sobol algorithm optimizes the trade-off between accuracy and efficiency by significantly reducing the number of model evaluations required from M^2p to M(p+2). It does this by implementing sample matrix manipulations and using improved variance approximation methods. This shift achieves a more computationally feasible process without substantially sacrificing accuracy, as Monte Carlo approximations effectively estimate required statistical measures through large-scale sampling. The use of approximations allows for efficient calculations while ensuring that accuracy is maintained by robustly capturing variance contributions within and across parameters .

The algorithm approximates variances using E(Y^2) and (E(Y))^2 calculated through Monte Carlo simulations involving combined samples from matrices A and B. This method improves accuracy by reducing approximation errors associated with direct variance computations, specifically addressing inaccuracies that arise from ignoring or simplifying complex interactions between parameters. This approach ensures that even smaller contributions from less critical interactions are captured accurately, compared to previous methods that may have oversimplified these interactions .

The alternative algorithm represents a paradigm shift by prioritizing computational efficiency while preserving accuracy in model-based sensitivity analyses. Unlike traditional methods that demand prohibitive computational resources, this new approach leverages matrix sampling and innovative variance approximations to streamline evaluations even for high-dimensional models. The focus on reducing function evaluations through strategic sample manipulations embodies a shift towards feasible large-scale sensitivity analysis, accommodating increasing model complexity without the typical computational constraints .

The algorithm begins by creating two sample matrices, A and B, where each matrix is composed of rows representing pseudo-random numbers drawn from respective densities for each parameter. Specifically, matrix A contains rows with elements q_{i}^j and matrix B has elements \hat{q}_{i}^j, where i refers to the parameters, and j denotes the Monte Carlo samples. These matrices form the basis for further matrix manipulations required for approximating Sobol indices .

The traditional method of evaluating Sobol indices requires M^2 evaluations to approximate a single index due to the need for high-dimensional integration. This results in a total of M^2p evaluations for a model with p parameters, making it computationally prohibitive as p increases. The alternative algorithm addresses these challenges by reducing the number of function evaluations to M(p+2) using a sample matrix approach and Monte Carlo approximations, significantly improving computational efficiency .

In this algorithm, the first-order Sobol indices, which measure the contribution of individual parameters to the output variance, are estimated using Monte Carlo simulations. This involves the computation of f(A) and f(B(i)_A) for first-order Sobol indices. The total Sobol indices, which also include all interactions with other variables, are estimated by evaluating model outputs from matrices A and A(i)_B. The total variance is approximated using E(Y^2) and (E(Y))^2 from matrix C data, allowing for estimates of both indices through variance partitioning .

The use of pseudo-random numbers in forming matrices A and B is critical for the accuracy of Sobol indices estimations, as it ensures that input samples are adequately representative of the parameter space, resulting in unbiased approximations of integrals over these spaces. Such random sampling facilitates accurate modeling of the high-dimensional variability inherent in complex systems. The randomness introduces variability that mimics real-world unpredictability, thus rendering the estimates of variance and expectation components more reliable and representative of true parameter influences .

Matrix C is created by appending matrix B to matrix A, effectively structuring the data to allow for the combined analysis required to estimate total variance. This structuring facilitates the computation of column vectors from the evaluations of a model at inputs derived from both matrices, crucial for the Monte Carlo approximation of total variance. The process leverages matrix C to compute E(Y^2) and (E(Y))^2, components of the total variance, thereby enabling a robust approximation within the computational setup .

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