block.plsda: N-integration with Projection to Latent Structures models...
In mixOmicsTeam/mixOmics: Omics Data Integration Project

block.plsda

R Documentation

N-integration with Projection to Latent Structures models (PLS) with Discriminant Analysis

Description

Integration of multiple data sets measured on the same samples or observations to classify a discrete outcome, ie. N-integration with Discriminant Analysis. The method is partly based on Generalised Canonical Correlation Analysis.

Usage

block.plsda(
  X,
  Y,
  indY,
  ncomp = 2,
  design,
  scale = TRUE,
  tol = 1e-06,
  max.iter = 100,
  near.zero.var = FALSE,
  all.outputs = TRUE,
  verbose.call = FALSE
)

Arguments

`X`	A named list of data sets (called 'blocks') measured on the same samples. Data in the list should be arranged in matrices, samples x variables, with samples order matching in all data sets.
`Y`	a factor or a class vector for the discrete outcome.
`indY`	To supply if `Y` is missing, indicates the position of the matrix response in the list `X`.
`ncomp`	the number of components to include in the model. Default to 2. Applies to all blocks.
`design`	numeric matrix of size (number of blocks in X) x (number of blocks in X) with values between 0 and 1. Each value indicates the strenght of the relationship to be modelled between two blocks; a value of 0 indicates no relationship, 1 is the maximum value. Alternatively, one of c('null', 'full') indicating a disconnected or fully connected design, respecively, or a numeric between 0 and 1 which will designate all off-diagonal elements of a fully connected design (see examples in `block.splsda`). If `Y` is provided instead of `indY`, the `design` matrix is changed to include relationships to `Y`.
`scale`	Logical. If scale = TRUE, each block is standardized to zero means and unit variances (default: TRUE)
`tol`	Positive numeric used as convergence criteria/tolerance during the iterative process. Default to `1e-06`.
`max.iter`	Integer, the maximum number of iterations. Default to 100.
`near.zero.var`	Logical, see the internal `nearZeroVar` function (should be set to TRUE in particular for data with many zero values). Setting this argument to FALSE (when appropriate) will speed up the computations. Default value is FALSE.
`all.outputs`	Logical. Computation can be faster when some specific (and non-essential) outputs are not calculated. Default = `TRUE`.
`verbose.call`	Logical (Default=FALSE), if set to TRUE then the `$call` component of the returned object will contain the variable values for all parameters. Note that this may cause large memory usage.

Details

block.plsda function fits a horizontal integration PLS-DA model with a specified number of components per block). A factor indicating the discrete outcome needs to be provided, either by Y or by its position indY in the list of blocks X.

X can contain missing values. Missing values are handled by being disregarded during the cross product computations in the algorithm block.pls without having to delete rows with missing data. Alternatively, missing data can be imputed prior using the impute.nipals function.

The type of algorithm to use is specified with the mode argument. Four PLS algorithms are available: PLS regression ("regression"), PLS canonical analysis ("canonical"), redundancy analysis ("invariant") and the classical PLS algorithm ("classic") (see References and ?pls for more details).

Note that our method is partly based on Generalised Canonical Correlation Analysis and differs from the MB-PLS approaches proposed by Kowalski et al., 1989, J Chemom 3(1) and Westerhuis et al., 1998, J Chemom, 12(5).

Value

block.plsda returns an object of class "block.plsda","block.pls", a list that contains the following components:

`X`	the centered and standardized original predictor matrix.
`indY`	the position of the outcome Y in the output list X.
`ncomp`	the number of components included in the model for each block.
`mode`	the algorithm used to fit the model.
`variates`	list containing the variates of each block of X.
`loadings`	list containing the estimated loadings for the variates.
`names`	list containing the names to be used for individuals and variables.
`nzv`	list containing the zero- or near-zero predictors information.
`iter`	Number of iterations of the algorithm for each component
`prop_expl_var`	Percentage of explained variance for each component and each block
`call`	if `verbose.call = FALSE`, then just the function call is returned. If `verbose.call = TRUE` then all the inputted values are accessable via this component

Note that the argument 'scheme' has now been hardcoded to 'horst' and 'init' to 'svd.single'.

Author(s)

Florian Rohart, Benoit Gautier, Kim-Anh Lê Cao, Al J Abadi

References

On PLSDA:

Barker M and Rayens W (2003). Partial least squares for discrimination. Journal of Chemometrics 17(3), 166-173. Perez-Enciso, M. and Tenenhaus, M. (2003). Prediction of clinical outcome with microarray data: a partial least squares discriminant analysis (PLS-DA) approach. Human Genetics 112, 581-592. Nguyen, D. V. and Rocke, D. M. (2002). Tumor classification by partial least squares using microarray gene expression data. Bioinformatics 18, 39-50.

On multiple integration with PLS-DA: Gunther O., Shin H., Ng R. T. , McMaster W. R., McManus B. M. , Keown P. A. , Tebbutt S.J. , Lê Cao K-A. , (2014) Novel multivariate methods for integration of genomics and proteomics data: Applications in a kidney transplant rejection study, OMICS: A journal of integrative biology, 18(11), 682-95.

On multiple integration with sPLS-DA and 4 data blocks:

Singh A., Gautier B., Shannon C., Vacher M., Rohart F., Tebbutt S. and Lê Cao K.A. (2016). DIABLO: multi omics integration for biomarker discovery. BioRxiv available here: http://biorxiv.org/content/early/2016/08/03/067611

mixOmics article:

Rohart F, Gautier B, Singh A, Lê Cao K-A. mixOmics: an R package for 'omics feature selection and multiple data integration. PLoS Comput Biol 13(11): e1005752

Examples

data(nutrimouse)
data = list(gene = nutrimouse$gene, lipid = nutrimouse$lipid, Y = nutrimouse$diet)
# with this design, all blocks are connected
design = matrix(c(0,1,1,1,0,1,1,1,0), ncol = 3, nrow = 3,
byrow = TRUE, dimnames = list(names(data), names(data)))

res = block.plsda(X = data, indY = 3) # indY indicates where the outcome Y is in the list X
plotIndiv(res, ind.names = FALSE, legend = TRUE)
plotVar(res)

## Not run: 
# when Y is provided
res2 = block.plsda(list(gene = nutrimouse$gene, lipid = nutrimouse$lipid),
Y = nutrimouse$diet, ncomp = 2)
plotIndiv(res2)
plotVar(res2)

## End(Not run)

mixOmicsTeam/mixOmics documentation built on Dec. 3, 2024, 11:15 p.m.