shapleysobol_knn: Data given Shapley effects estimation via nearest-neighbors...

In sensitivity: Global Sensitivity Analysis of Model Outputs and Importance Measures

Data given Shapley effects estimation via nearest-neighbors procedure

Description

shapleysobol_knn implements the estimation of several sensitivity indices using only N model evaluations via ranking (following Gamboa et al. (2020) and Chatterjee (2019)) or nearest neighbour search (Broto et al. (2020) and Azadkia & Chatterjee (2020)). Parallelized computations are possible to accelerate the estimation process. It can be used with categorical inputs (which are transformed with one-hot encoding), dependent inputs and multiple outputs. Sensitivity indices of any group of inputs can be computed, which means that in particular (full) first-order, (independent) total Sobol indices and Shapley effects are accessible. For large sample sizes, the nearest neightbour algorithm can be significantly accelerated by using approximate nearest neighbour search. It is also possible to estimate Shapley effects with the random permutation approach of Castro et al.(2009), where all the terms are obtained with ranking or nearest neighbours.

Usage

shapleysobol_knn(model=NULL, X, method = "knn", n.knn = 2, n.limit = 2000, 
          U = NULL, n.perm = NULL, noise = F, rescale = F, nboot = NULL, 
          boot.level = 0.8, conf=0.95, parl=NULL, ...)
## S3 method for class 'shapleysobol_knn'
tell(x, y, ...)
## S3 method for class 'shapleysobol_knn'
extract(x, ...)
## S3 method for class 'shapleysobol_knn'
print(x, ...)
## S3 method for class 'shapleysobol_knn'
plot(x, ylim = c(0,1), ...)
## S3 method for class 'shapleysobol_knn'
ggplot(data, mapping = aes(), ylim = c(0, 1), ..., 
                environment = parent.frame())
## S3 method for class 'sobol_knn'
print(x, ...)
## S3 method for class 'sobol_knn'
plot(x, ylim = c(0,1), ...)

Arguments

model	a function defining the model to analyze, taking X as an argument.
X	a matrix or data frame containing the observed inputs.
method	the algorithm to be used for estimation, either "rank" or "knn", see details. Default is method="knn".
n.knn	the number of nearest neighbours used for estimation.
n.limit	sample size limit above which approximate nearest neighbour search is activated.
U	an integer equal to 0 (total Sobol indices) or 1 (first-order Sobol indices) or a list of vector indices defining the subsets of inputs whose sensitivity indices must be computed or a matrix of 0s and 1s where each row encodes a subset of inputs whose sensitivity indices must be computed (see examples). Default value is NULL, meaning that Shapley values are returned (see details).
n.perm	an integer, indicating the number of random permutations used for the Shapley effects' estimation. Default is n.perm=NULL, indicating that all possible permutations are used.
noise	a logical which is TRUE if the model or the output sample is noisy. See details.
rescale	a logical indicating if continuous inputs must be rescaled before distance computations. If TRUE, continuous inputs are first whitened with the ZCA-cor whitening procedure (cf. whiten() function in package whitening). If the inputs are independent, this first step will have a very limited impact. Then, the resulting whitened inputs are individually modified via a copula transform such that each input has the same scale.
nboot	the number of bootstrap resamples for the bootstrap estimate of confidence intervals. See details.
boot.level	a numeric between 0 and 1 for the proportion of the bootstrap sample size.
conf	the confidence level of the bootstrap confidence intervals.
parl	number of cores on which to parallelize the computation. If NULL, then no parallelization is done.
x	the object returned by shapleysobol_knn.
data	the object returned by shapleysobol_knn.
y	a numeric univariate vector containing the observed outputs.
ylim	the y-coordinate limits for plotting.
mapping	Default list of aesthetic mappings to use for plot. If not specified, must be supplied in each layer added to the plot.
environment	[Deprecated] Used prior to tidy evaluation.
...	additional arguments to be passed to model, or to the methods, such as graphical parameters (see par).

Details

For method="rank", the estimator is defined in Gamboa et al. (2020) following Chatterjee (2019). For first-order indices it is based on an input ranking (same algorithm as in sobolrank) while for higher orders, it uses an approximate heuristic solution of the traveling salesman problem applied to the input sample distances (cf. TSP() function in package TSP). For method="knn", ranking and TSP are replaced by a nearest neighbour search as proposed in Broto et al. (2020) and in Azadkia & Chatterjee (2020) for a similar coefficient.

The computation is done using the subset procedure, defined in Broto, Bachoc and Depecker (2020), that is computing all the Sobol' closed indices for all possible sub-models first, and then affecting the Shapley weights.

It is the same algorithm as sobolshap_knn with method = "knn" with a slight computational improvement (the search for weight affectations is done on much smaller matrices, stored in a list indexed by their order), and ability to perform parallel computation and boostrap confidence interval estimates.

Since boostrap creates ties which are not accounted for in the algorithm, confidence intervals are obtained by sampling without replacement with a proportion of the total sample size boot.level, drawn uniformly.

If the outputs are noisy, the argument noise can be used: it only has an impact on the estimation of one specific sensitivity index, namely Var(E(Y|X1,\ldots,Xp))/Var(Y). If there is no noise this index is equal to 1, while in the presence of noise it must be estimated.

The distance used for subsets with mixed inputs (continuous and categorical) is the Euclidean distance, thanks to a one-hot encoding of categorical inputs.

If too many cores for the machine are passed on to the parl argument, the chosen number of cores is defaulted to the available cores minus one.

If argument U is specified, only the estimated first-order or total Sobol' indices are returned, or the estimated closed Sobol' indices for the selected subsets. The Shapley effects are not computed, and thus, not returned.

The extract method can be used for extracting first-order and total Sobol' indices, after the Shapley effects have been computed. It returns a list containing both sensitivity indices.

Value

shapleysobol_knn returns a list of class "shapleysobol_knn" if U=NULL, containing the following components:

call	the matched call.
Shap	the estimations of the Shapley effect indices.
VE	the estimations of the closed Sobol' indices for all possible sub-models.
indices	list of all subsets corresponding to the structure of VE.
method	which estimation method has been used.
n.perm	number of random permutations.
w	the Shapley weights.
conf_int	a matrix containing the estimations, biais and confidence intervals by bootstrap (if nboot>0).
X	the observed covariates.
y	the observed outcomes.
n.knn	value of the n.knn argument.
n.limit	value of the n.limit argument.
U	value of the U argument.
rescale	wheter the design matrix has been rescaled.
n.limit	maximum number of sample before nearest-neighbor approximation.
boot.level	value of the boot.level argument.
noise	wheter the Shapley values must sum up to one or not.
boot	logical, wheter bootstrap confidence interval estimates have been performed.
nboot	value of the nboot argument.
parl	value of the parl argument.
conf	value of the conf argument.

shapleysobol_knn returns a list of class "sobol_knn" if U, is specified, containing the following components:

call	the matched call.
Sobol	the estimations of the Sobol' indices.
indices	list of all subsets corresponding to the structure of VE.
method	which estimation method has been used.
conf_int	a matrix containing the estimations, biais and confidence intervals by bootstrap (if nboot>0).
X	the observed covariates.
y	the observed outcomes.
U	value of the U argument.
n.knn	value of the n.knn argument.
rescale	wheter the design matrix has been rescaled.
n.limit	value of the n.limit argument.
boot.level	value of the boot.level argument.
boot	logical, wheter bootstrap confidence interval estimates have been performed.
nboot	value of the nboot argument.
parl	value of the parl argument.
conf	value of the conf argument.

Author(s)

Marouane Il Idrissi, Sebastien Da Veiga

References

Azadkia M., Chatterjee S., 2021), A simple measure of conditional dependence, Ann. Statist. 49(6):3070-3102.

Chatterjee, S., 2021, A new coefficient of correlation, Journal of the American Statistical Association, 116:2009-2022.

Gamboa, F., Gremaud, P., Klein, T., & Lagnoux, A., 2022, Global Sensitivity Analysis: a novel generation of mighty estimators based on rank statistics, Bernoulli 28: 2345-2374.

Broto B., Bachoc F. and Depecker M. (2020) Variance Reduction for Estimation of Shapley Effects and Adaptation to Unknown Input Distribution. SIAM/ASA Journal on Uncertainty Quantification, 8(2).

Castro J., Gomez D, Tejada J. (2009). Polynomial calculation of the Shapley value based on sampling. Computers & Operations Research, 36(5):1726-1730.

M. Il Idrissi, V. Chabridon and B. Iooss (2021). Developments and applications of Shapley effects to reliability-oriented sensitivity analysis with correlated inputs. Environmental Modelling & Software, 143, 105115.

M. Il Idrissi, V. Chabridon and B. Iooss (2021). Mesures d'importance relative par decompositions de la performance de modeles de regression, Preprint, 52emes Journees de Statistiques de la Societe Francaise de Statistique (SFdS), pp. 497-502, Nice, France, Juin 2021

See Also

sobolrank, sobolshap_knn, shapleyPermEx, shapleySubsetMc, johnsonshap, lmg, pme_knn

Examples

  
  
library(parallel)
library(doParallel)
library(foreach)
library(gtools)
library(boot)
library(RANN)

###########################################################
# Linear Model with Gaussian correlated inputs

library(mvtnorm)

set.seed(1234)
n <- 1000
beta<-c(1,-1,0.5)
sigma<-matrix(c(1,0,0,
                0,1,-0.8,
                0,-0.8,1),
              nrow=3,
              ncol=3)

X <-rmvnorm(n, rep(0,3), sigma)
colnames(X)<-c("X1","X2", "X3")


y <- X%*%beta + rnorm(n,0,2)

# Without Bootstrap confidence intervals
x<-shapleysobol_knn(model=NULL, X=X,
            n.knn=3,
            noise=TRUE)
tell(x,y)
print(x)
plot(x)

#Using the extract method to get first-order and total Sobol' indices
extract(x)

# With Boostrap confidence intervals
x<-shapleysobol_knn(model=NULL, X=X,
            nboot=10, 
            n.knn=3,
            noise=TRUE,
            boot.level=0.7, 
            conf=0.95)
tell(x,y)
print(x)
plot(x)

#####################
# Extracting Sobol' indices with Bootstrap confidence intervals

nboot <- 10 # put nboot=50 for consistency

#Total Sobol' indices
x<-shapleysobol_knn(model=NULL, X=X,
            nboot=nboot, 
            n.knn=3,
            U=0,
            noise=TRUE,
            boot.level=0.7, 
            conf=0.95)
tell(x,y)
print(x)
plot(x)

#First-order Sobol' indices
x<-shapleysobol_knn(model=NULL, X=X,
            nboot=nboot, 
            n.knn=3,
            U=1,
            noise=TRUE,
            boot.level=0.7, 
            conf=0.95)
tell(x,y)
print(x)
plot(x)

#Closed Sobol' indices for specific subsets (list)
x<-shapleysobol_knn(model=NULL, X=X,
            nboot=nboot, 
            n.knn=3,
            U=list(c(1,2), c(1,2,3), 2),
            noise=TRUE,
            boot.level=0.7, 
            conf=0.95)
tell(x,y)
print(x)
plot(x)


#####################################################
# Test case: the non-monotonic Sobol g-function
# Example with a call to a numerical model
# First compute first-order indices with ranking
    
n <- 1000
X <- data.frame(matrix(runif(8 * n), nrow = n))
x <- shapleysobol_knn(model = sobol.fun, X = X, U = 1, method = "rank")
print(x)
plot(x)

library(ggplot2) ; ggplot(x)

# We can use the output sample generated for this estimation to compute total indices 
# without additional calls to the model
x2 <- shapleysobol_knn(model = NULL, X = X, U = 0, method = "knn", n.knn = 5)
tell(x2,x$y)
plot(x2)

ggplot(x2)


#####################################################
# Test case: the Ishigami function
# Example with given data and the use of approximate nearest neighbour search
n <- 5000
X <- data.frame(matrix(-pi+2*pi*runif(3 * n), nrow = n))
Y <- ishigami.fun(X)
x <- shapleysobol_knn(model = NULL, X = X, U = NULL, method = "knn", n.knn = 5, 
                       n.limit = 2000)
tell(x,Y)
plot(x)

library(ggplot2) ; ggplot(x)

# Extract first-order and total Sobol indices
x1 <- extract(x) ; print(x1)
    
######################################################
# Test case : Linear model (3 Gaussian inputs including 2 dependent) with scaling
# See Iooss and Prieur (2019)
library(mvtnorm) # Multivariate Gaussian variables
library(whitening) # For scaling
modlin <- function(X) apply(X,1,sum)
d <- 3
n <- 10000
mu <- rep(0,d)
sig <- c(1,1,2)
ro <- 0.9
Cormat <- matrix(c(1,0,0,0,1,ro,0,ro,1),d,d)
Covmat <- ( sig %*% t(sig) ) * Cormat
Xall <- function(n) mvtnorm::rmvnorm(n,mu,Covmat)
X <- Xall(n)
x <- shapleysobol_knn(model = modlin, X = X, U = NULL, method = "knn", n.knn = 5, 
                       rescale = TRUE, n.limit = 2000)
print(x)
plot(x)

sensitivity documentation built on Sept. 11, 2024, 9:09 p.m.