# singR: An R package for Simultaneous non-Gaussian Component Analysis for data integration

# singR

The singR package is built upon the SING method https://github.com/thebrisklab/SING, which is designed to extract joint and individual non-Gaussian components from multiple datasets. This package provides a tutorial example to support the paper:

singR: An R Package for Simultaneous Non-Gaussian Component Analysis for Data Integration https://journal.r-project.org/articles/RJ-2023-084/.

In this paper, two examples are provided. The dataset for the first example is included within this R package, while the dataset for the second example is available at the following link: https://github.com/thebrisklab/singR/tree/main/extdata.

## Installation

You can install singR from github or CRAN with:

    library(devtools)
    install_github("thebrisklab/singR")
    install.packages("singR")

C:80DArR6d683e8a527-tutorial.R If you want to install it on Mac OS, the installation tips is here:

1.Make sure all the R packages used in singR are updated to the recommended version.

2.Try to install singR, if there is an error saying:

    ld: warning: directory not found for option '-L/opt/R/arm64/gfortran/lib/gcc/aarch64-apple-darwin20.2.0/11.0.0'
    ld: warning: directory not found for option '-L/opt/R/arm64/gfortran/lib'
    ld: library not found for -lgfortran
    clang: error: linker command failed with exit code 1 (use -v to see invocation)

C:80DArR6d683e8a527-tutorial.R Then go to: /Library/Frameworks/R.framework/Resources/etc/Makeconf Change FLIBS from

    FLIBS =  -L/opt/R/arm64/gfortran/lib/gcc/aarch64-apple-darwin20.2.0/11.0.0 -L/opt/R/arm64/gfortran/lib -lgfortran -lemutls_w -lm

C:80DArR6d683e8a527-tutorial.R to

    FLIBS =  -L/usr/local/gfortran/lib/gcc/aarch64-apple-darwin20.2.0/11.0.0 -L/usr/local/gfortran/lib -lgfortran -lm

C:80DArR6d683e8a527-tutorial.R

3.Download the .tar.xz file from https://github.com/fxcoudert/gfortran-for-macOS/releases/tag/11-arm-alpha2 using the browser, unpack it under /usr/local so that the “gfortran” folder is there.

4.Install singR again, it should be installed successfully.

## Quick Start Guide

To illustrate the use of , we provide an example .

The tutorial dataset `exampledata` are included in the package. We generate the SING model in @ref(eq:two) as follows. We generate joint subject scores \(M_{J}=[m_{J1},m_{J2}]\in \mathbb{R}^{n\times2}\) with \(m_{J1}\sim N(\mu_{1},I_{n}),m_{J2}\sim N(\mu_{2},I_{n})\), \(\mu_{1}=(1_{24}^{\top},-1_{24}^{\top})^{\top}\) and \(\mu_{2}=(-1_{24}^{\top},1_{24}^{\top})^{\top}\). We set \(D_{x}=I\) and \(D_{y}=diag(-5,2)\) to have differences in both sign and scale between the two datasets. We generate \(M_{Ix}\) and \(M_{Iy}\) similar to \(M_{J}\) using iid unit variance Gaussian entries with means equal to \(\mu_{3y}=(-1_{6}^{\top},1_{6}^{\top},-1_{6}^{\top},1_{6}^{\top},-1_{6}^{\top},1_{6}^{\top}-1_{6}^{\top},-1_{6}^{\top})^{\top}\), \(\mu_{4y}=(1_{24}^{\top},-1_{24}^{\top})^{\top}\), \(\mu_{3x}=(-1_{12}^{\top},1_{12}^{\top},-1_{12}^{\top},1_{12}^{\top})^{\top}\), \(\mu_{4x}=(1_{12}^{\top},-1_{12}^{\top},1_{12}^{\top},-1_{12}^{\top})^{\top}\). These means result in various degrees of correlation between the columns of the mixing matrices. For the Gaussian noise, we generate \(M_{Nx}\), \(M_{Ny}\), \(N_{x}\) and \(N_{y}\) using iid standard Gaussian mean zero entries.

    library(singR)
    data(exampledata)
    data <- exampledata

    lgrid = 33
    par(mfrow = c(2, 4))
    # Components for X
    image(matrix(data$sjX[1, ], lgrid, lgrid), col = heat.colors(12), xaxt = "n",
        yaxt = "n", main = expression("True S"["Jx"] * ", 1"))
    image(matrix(data$sjX[2, ], lgrid, lgrid), col = heat.colors(12), xaxt = "n",
        yaxt = "n", main = expression("True S"["Jx"] * ", 2"))
    image(matrix(data$siX[1, ], lgrid, lgrid), col = heat.colors(12), xaxt = "n",
        yaxt = "n", main = expression("True S"["Ix"] * ", 1"))
    image(matrix(data$siX[2, ], lgrid, lgrid), col = heat.colors(12), xaxt = "n",
        yaxt = "n", main = expression("True S"["Ix"] * ", 2"))

    # Components for Y
    image(vec2net(data$sjY[1, ]), col = heat.colors(12), xaxt = "n", yaxt = "n",
        main = expression("True S"["Jy"] * ", 1"))
    image(vec2net(data$sjY[2, ]), col = heat.colors(12), xaxt = "n", yaxt = "n",
        main = expression("True S"["Jy"] * ", 2"))
    image(vec2net(data$siY[1, ]), col = heat.colors(12), xaxt = "n", yaxt = "n",
        main = expression("True S"["Iy"] * ", 1"))
    image(vec2net(data$siY[2, ]), col = heat.colors(12), xaxt = "n", yaxt = "n",
        main = expression("True S"["Iy"] * ", 2"))

C:80DArR6d683e8a527-tutorial.R

True loadings in example 1.

C:80DArR6d683e8a527-tutorial.R

Function singR performs all steps in the SING pipeline as a single function

We first illustrate the use of the wrapper function `singR` using the default settings. We will describe optional arguments in more detail in example 2.

    example1 = singR(dX = data$dX, dY = data$dY, individual = T)

C:80DArR6d683e8a527-tutorial.R

Details of the SING pipeline

We next explain each of the steps involved in SING estimation. Using these individual functions in place of the high-level `singR` function allows additional fine-tuning and can be helpful for large datasets.

Estimate the number of non-Gaussian components in datasets dX and dY using `FOBIasymp` from :

    n.comp.X = NG_number(data$dX)
    n.comp.Y = NG_number(data$dY)

C:80DArR6d683e8a527-tutorial.R

Apply `lngca` separately to each dataset using the JB statistic as the measure of non-Gaussianity:

    # JB on X
    estX_JB = lngca(xData = data$dX, n.comp = n.comp.X, whiten = "sqrtprec",
        restarts.pbyd = 20, distribution = "JB")
    Uxfull <- estX_JB$U
    Mx_JB = est.M.ols(sData = estX_JB$S, xData = data$dX)

    # JB on Y
    estY_JB = lngca(xData = data$dY, n.comp = n.comp.Y, whiten = "sqrtprec",
        restarts.pbyd = 20, distribution = "JB")
    Uyfull <- estY_JB$U
    My_JB = est.M.ols(sData = estY_JB$S, xData = data$dY)

C:80DArR6d683e8a527-tutorial.R

Use `greedymatch` to reorder \(\widehat{U}_{x}\) and \(\widehat{U}_{y}\) by descending matched correlations and use `permTestJointRank` to estimate the number of joint components:

    matchMxMy = greedymatch(scale(Mx_JB, scale = F), scale(My_JB, scale = F),
        Ux = Uxfull, Uy = Uyfull)
    permJoint <- permTestJointRank(matchMxMy$Mx, matchMxMy$My)
    joint_rank = permJoint$rj

C:80DArR6d683e8a527-tutorial.R

For preparing input to `curvilinear_c`, manually prewhiten dX and dY to get \(\widehat{L}_{x}^{-1}\) and \(\widehat{L}_{y}^{-1}\):

    # Center X and Y
    dX = data$dX
    dY = data$dY
    n = nrow(dX)
    pX = ncol(dX)
    pY = ncol(dY)
    dXcentered <- dX - matrix(rowMeans(dX), n, pX, byrow = F)
    dYcentered <- dY - matrix(rowMeans(dY), n, pY, byrow = F)

    # For X Scale rowwise
    est.sigmaXA = tcrossprod(dXcentered)/(pX - 1)
    whitenerXA = est.sigmaXA %^% (-0.5)
    xDataA = whitenerXA %*% dXcentered
    invLx = est.sigmaXA %^% (0.5)

    # For Y Scale rowwise
    est.sigmaYA = tcrossprod(dYcentered)/(pY - 1)
    whitenerYA = est.sigmaYA %^% (-0.5)
    yDataA = whitenerYA %*% dYcentered
    invLy = est.sigmaYA %^% (0.5)

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Obtain a reasonable value for the penalty \(\rho\) by calculating the JB statistics for all the joint components:

    # Calculate the Sx and Sy.
    Sx = matchMxMy$Ux[1:joint_rank, ] %*% xDataA
    Sy = matchMxMy$Uy[1:joint_rank, ] %*% yDataA

    JBall = calculateJB(Sx) + calculateJB(Sy)

    # Penalty used in curvilinear algorithm:
    rho = JBall/10

C:80DArR6d683e8a527-tutorial.R

Estimate \(\widehat{U}_{x}\) and \(\widehat{U}_{y}\) with `curvilinear_c`:

    # alpha=0.8 corresponds to JB weighting of skewness and kurtosis (can
    # customize to use different weighting):
    alpha = 0.8
    # tolerance:
    tol = 1e-10

    out <- curvilinear_c(invLx = invLx, invLy = invLy, xData = xDataA, yData = yDataA,
        Ux = matchMxMy$Ux, Uy = matchMxMy$Uy, rho = rho, tol = tol, alpha = alpha,
        maxiter = 1500, rj = joint_rank)

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Obtain the final result:

    # Estimate Sx and Sy and true S matrix
    Sjx = out$Ux[1:joint_rank, ] %*% xDataA
    Six = out$Ux[(joint_rank + 1):n.comp.X, ] %*% xDataA
    Sjy = out$Uy[1:joint_rank, ] %*% yDataA
    Siy = out$Uy[(joint_rank + 1):n.comp.Y, ] %*% yDataA

    # Estimate Mj and true Mj
    Mxjoint = tcrossprod(invLx, out$Ux[1:joint_rank, ])
    Mxindiv = tcrossprod(invLx, out$Ux[(joint_rank + 1):n.comp.X, ])
    Myjoint = tcrossprod(invLy, out$Uy[1:joint_rank, ])
    Myindiv = tcrossprod(invLy, out$Uy[(joint_rank + 1):n.comp.Y, ])

    # signchange to keep all the S and M skewness positive
    Sjx_sign = signchange(Sjx, Mxjoint)
    Sjy_sign = signchange(Sjy, Myjoint)
    Six_sign = signchange(Six, Mxindiv)
    Siy_sign = signchange(Siy, Myindiv)

    Sjx = Sjx_sign$S
    Sjy = Sjy_sign$S
    Six = Six_sign$S
    Siy = Siy_sign$S

    Mxjoint = Sjx_sign$M
    Myjoint = Sjy_sign$M
    Mxindiv = Six_sign$M
    Myindiv = Siy_sign$M

    est.Mj = aveM(Mxjoint, Myjoint)

    trueMj <- data.frame(mj1 = data$mj[, 1], mj2 = data$mj[, 2], number = 1:48)
    SINGMj <- data.frame(mj1 = est.Mj[, 1], mj2 = est.Mj[, 2], number = 1:48)

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Plot \(\widehat{S}_{Jx}\), \(\widehat{S}_{Jy}\), \(\widehat{S}_{Ix}\), and \(\widehat{S}_{Iy}\) in figure @ref(fig:estiexample1).

C:80DArR6d683e8a527-tutorial.R

Estimated joint loadings in example 1.

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Plot \(\widehat{M}_J\) in figure @ref(fig:mjex1).

    library(tidyverse)
    library(ggpubr)

    t1 <- ggplot(data = trueMj) + geom_point(mapping = aes(y = mj1, x = number)) +
        ggtitle(expression("True M"["J"] * ", 1")) + theme_bw() + theme(panel.grid = element_blank())

    t2 <- ggplot(data = trueMj) + geom_point(mapping = aes(y = mj2, x = number)) +
        ggtitle(expression("True M"["J"] * ", 2")) + theme_bw() + theme(panel.grid = element_blank())

    # SING mj

    S1 <- ggplot(data = SINGMj) + geom_point(mapping = aes(y = mj1, x = number)) +
        ggtitle(expression("Estimated M"["J"] * ", 1")) + theme_bw() + theme(panel.grid = element_blank())

    S2 <- ggplot(data = SINGMj) + geom_point(mapping = aes(y = mj2, x = number)) +
        ggtitle(expression("Estimated M"["J"] * ", 2")) + theme_bw() + theme(panel.grid = element_blank())

    ggarrange(t1, t2, S1, S2, ncol = 2, nrow = 2)

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Estimated joint subject scores in example 1.

C:80DArR6d683e8a527-tutorial.R

## Acknowledgments

Research reported in this publication was supported by the National Institute of Mental Health of the National Institutes of Health under award number R01MH129855 to BBR. The research was also supported by the Division of Mathematical Sciences of the National Science Foundation under award number DMS-2044823 to IG. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health and National Science Foundation.