Last updated: 2025-06-05
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Knit directory:
symmetric_covariance_decomposition/
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Rmd | 1e1f127 | Annie Xie | 2025-06-05 | Add analysis of backfit in overlapping setting |
In this example, we test out symEBcovMF with backfit on overlapping (but not necessarily hierarchical)-structured data.
I am interested in testing whether backfitting helps symEBcovMF in
the overlapping setting (particularly in the setting where we set
Kmax
to be the true number of factors). Our high level goal
is to develop a method that does well in both the tree setting and the
overlapping setting.
library(ebnm)
library(pheatmap)
library(ggplot2)
library(lpSolve)
source('code/symebcovmf_functions.R')
source('code/visualization_functions.R')
compute_crossprod_similarity <- function(est, truth){
K_est <- ncol(est)
K_truth <- ncol(truth)
n <- nrow(est)
#if estimates don't have same number of columns, try padding the estimate with zeros and make cosine similarity zero
if (K_est < K_truth){
est <- cbind(est, matrix(rep(0, n*(K_truth-K_est)), nrow = n))
}
if (K_est > K_truth){
truth <- cbind(truth, matrix(rep(0, n*(K_est - K_truth)), nrow = n))
}
#normalize est and truth
norms_est <- apply(est, 2, function(x){sqrt(sum(x^2))})
norms_est[norms_est == 0] <- Inf
norms_truth <- apply(truth, 2, function(x){sqrt(sum(x^2))})
norms_truth[norms_truth == 0] <- Inf
est_normalized <- t(t(est)/norms_est)
truth_normalized <- t(t(truth)/norms_truth)
#compute matrix of cosine similarities
cosine_sim_matrix <- abs(crossprod(est_normalized, truth_normalized))
assignment_problem <- lp.assign(t(cosine_sim_matrix), direction = "max")
return((1/K_truth)*assignment_problem$objval)
}
permute_L <- function(est, truth){
K_est <- ncol(est)
K_truth <- ncol(truth)
n <- nrow(est)
#if estimates don't have same number of columns, try padding the estimate with zeros and make cosine similarity zero
if (K_est < K_truth){
est <- cbind(est, matrix(rep(0, n*(K_truth-K_est)), nrow = n))
}
if (K_est > K_truth){
truth <- cbind(truth, matrix(rep(0, n*(K_est - K_truth)), nrow = n))
}
#normalize est and truth
norms_est <- apply(est, 2, function(x){sqrt(sum(x^2))})
norms_est[norms_est == 0] <- Inf
norms_truth <- apply(truth, 2, function(x){sqrt(sum(x^2))})
norms_truth[norms_truth == 0] <- Inf
est_normalized <- t(t(est)/norms_est)
truth_normalized <- t(t(truth)/norms_truth)
#compute matrix of cosine similarities
cosine_sim_matrix <- abs(crossprod(est_normalized, truth_normalized))
assignment_problem <- lp.assign(t(cosine_sim_matrix), direction = "max")
perm <- apply(assignment_problem$solution, 1, which.max)
return(est[,perm])
}
optimize_factor <- function(R, ebnm_fn, maxiter, tol, v_init, lambda_k, R2k, n, KL){
R2 <- R2k - lambda_k^2
resid_s2 <- estimate_resid_s2(n = n, R2 = R2)
rank_one_KL <- 0
curr_elbo <- -Inf
obj_diff <- Inf
fitted_g_k <- NULL
iter <- 1
vec_elbo_full <- NULL
v <- v_init
while((iter <= maxiter) && (obj_diff > tol)){
# update l; power iteration step
v.old <- v
x <- R %*% v
e <- ebnm_fn(x = x, s = sqrt(resid_s2), g_init = fitted_g_k)
scaling_factor <- sqrt(sum(e$posterior$mean^2) + sum(e$posterior$sd^2))
if (scaling_factor == 0){ # check if scaling factor is zero
scaling_factor <- Inf
v <- e$posterior$mean/scaling_factor
print('Warning: scaling factor is zero')
break
}
v <- e$posterior$mean/scaling_factor
# update lambda and R2
lambda_k.old <- lambda_k
lambda_k <- max(as.numeric(t(v) %*% R %*% v), 0)
R2 <- R2k - lambda_k^2
#store estimate for g
fitted_g_k.old <- fitted_g_k
fitted_g_k <- e$fitted_g
# store KL
rank_one_KL.old <- rank_one_KL
rank_one_KL <- as.numeric(e$log_likelihood) +
- normal_means_loglik(x, sqrt(resid_s2), e$posterior$mean, e$posterior$mean^2 + e$posterior$sd^2)
# update resid_s2
resid_s2.old <- resid_s2
resid_s2 <- estimate_resid_s2(n = n, R2 = R2) # this goes negative?????
# check convergence - maybe change to rank-one obj function
curr_elbo.old <- curr_elbo
curr_elbo <- compute_elbo(resid_s2 = resid_s2,
n = n,
KL = c(KL, rank_one_KL),
R2 = R2)
if (iter > 1){
obj_diff <- curr_elbo - curr_elbo.old
}
if (obj_diff < 0){ # check if convergence_val < 0
v <- v.old
resid_s2 <- resid_s2.old
rank_one_KL <- rank_one_KL.old
lambda_k <- lambda_k.old
curr_elbo <- curr_elbo.old
fitted_g_k <- fitted_g_k.old
print(paste('elbo decreased by', abs(obj_diff)))
break
}
vec_elbo_full <- c(vec_elbo_full, curr_elbo)
iter <- iter + 1
}
return(list(v = v, lambda_k = lambda_k, resid_s2 = resid_s2, curr_elbo = curr_elbo, vec_elbo_full = vec_elbo_full, fitted_g_k = fitted_g_k, rank_one_KL = rank_one_KL))
}
#nullcheck function
nullcheck_factors <- function(sym_ebcovmf_obj, L2_tol = 10^(-8)){
null_lambda_idx <- which(sym_ebcovmf_obj$lambda == 0)
factor_L2_norms <- apply(sym_ebcovmf_obj$L_pm, 2, function(v){sqrt(sum(v^2))})
null_factor_idx <- which(factor_L2_norms < L2_tol)
null_idx <- unique(c(null_lambda_idx, null_factor_idx))
keep_idx <- setdiff(c(1:length(sym_ebcovmf_obj$lambda)), null_idx)
if (length(keep_idx) < length(sym_ebcovmf_obj$lambda)){
#remove factors
sym_ebcovmf_obj$L_pm <- sym_ebcovmf_obj$L_pm[,keep_idx]
sym_ebcovmf_obj$lambda <- sym_ebcovmf_obj$lambda[keep_idx]
sym_ebcovmf_obj$KL <- sym_ebcovmf_obj$KL[keep_idx]
sym_ebcovmf_obj$fitted_gs <- sym_ebcovmf_obj$fitted_gs[keep_idx]
}
#shouldn't need to recompute objective function or other things
return(sym_ebcovmf_obj)
}
sym_ebcovmf_backfit <- function(S, sym_ebcovmf_obj, ebnm_fn, backfit_maxiter = 100, backfit_tol = 10^(-8), optim_maxiter= 500, optim_tol = 10^(-8)){
K <- length(sym_ebcovmf_obj$lambda)
iter <- 1
obj_diff <- Inf
sym_ebcovmf_obj$backfit_vec_elbo_full <- NULL
# refit lambda
sym_ebcovmf_obj <- refit_lambda(S, sym_ebcovmf_obj, maxiter = 25)
while((iter <= backfit_maxiter) && (obj_diff > backfit_tol)){
#print(iter)
obj_old <- sym_ebcovmf_obj$elbo
# loop through each factor
for (k in 1:K){
#print(k)
# compute residual matrix
R <- S - tcrossprod(sym_ebcovmf_obj$L_pm[,-k] %*% diag(sqrt(sym_ebcovmf_obj$lambda[-k]), ncol = (K-1)))
R2k <- compute_R2(S, sym_ebcovmf_obj$L_pm[,-k], sym_ebcovmf_obj$lambda[-k], (K-1)) #this is right but I have one instance where the values don't match what I expect
# optimize factor
factor_proposed <- optimize_factor(R, ebnm_fn, optim_maxiter, optim_tol, sym_ebcovmf_obj$L_pm[,k], sym_ebcovmf_obj$lambda[k], R2k, sym_ebcovmf_obj$n, sym_ebcovmf_obj$KL[-k])
# update object
sym_ebcovmf_obj$L_pm[,k] <- factor_proposed$v
sym_ebcovmf_obj$KL[k] <- factor_proposed$rank_one_KL
sym_ebcovmf_obj$lambda[k] <- factor_proposed$lambda_k
sym_ebcovmf_obj$resid_s2 <- factor_proposed$resid_s2
sym_ebcovmf_obj$fitted_gs[[k]] <- factor_proposed$fitted_g_k
sym_ebcovmf_obj$elbo <- factor_proposed$curr_elbo
sym_ebcovmf_obj$backfit_vec_elbo_full <- c(sym_ebcovmf_obj$backfit_vec_elbo_full, factor_proposed$vec_elbo_full)
#print(sym_ebcovmf_obj$elbo)
sym_ebcovmf_obj <- refit_lambda(S, sym_ebcovmf_obj) # add refitting step?
#print(sym_ebcovmf_obj$elbo)
}
iter <- iter + 1
obj_diff <- abs(sym_ebcovmf_obj$elbo - obj_old)
# need to add check if it is negative?
}
# nullcheck
sym_ebcovmf_obj <- nullcheck_factors(sym_ebcovmf_obj)
return(sym_ebcovmf_obj)
}
# args is a list containing n, p, k, indiv_sd, pi1, and seed
sim_binary_loadings_data <- function(args) {
set.seed(args$seed)
FF <- matrix(rnorm(args$k * args$p, sd = args$group_sd), ncol = args$k)
if (args$constrain_F) {
FF_svd <- svd(FF)
FF <- FF_svd$u
FF <- t(t(FF) * rep(args$group_sd, args$k) * sqrt(p))
}
LL <- matrix(rbinom(args$n*args$k, 1, args$pi1), nrow = args$n, ncol = args$k)
E <- matrix(rnorm(args$n * args$p, sd = args$indiv_sd), nrow = args$n)
Y <- LL %*% t(FF) + E
YYt <- (1/args$p)*tcrossprod(Y)
return(list(Y = Y, YYt = YYt, LL = LL, FF = FF, K = ncol(LL)))
}
n <- 100
p <- 1000
k <- 10
pi1 <- 0.1
indiv_sd <- 1
group_sd <- 1
seed <- 1
sim_args = list(n = n, p = p, k = k, pi1 = pi1, indiv_sd = indiv_sd, group_sd = group_sd, seed = seed, constrain_F = FALSE)
sim_data <- sim_binary_loadings_data(sim_args)
This is a heatmap of the scaled Gram matrix:
plot_heatmap(sim_data$YYt, colors_range = c('blue','gray96','red'), brks = seq(-max(abs(sim_data$YYt)), max(abs(sim_data$YYt)), length.out = 50))
This is a scatter plot of the true loadings matrix:
pop_vec <- rep('A', n)
plot_loadings(sim_data$LL, pop_vec, legendYN = FALSE)
This is a heatmap of the true loadings matrix:
plot_heatmap(sim_data$LL)
symebcovmf_overlap_refit_fit <- sym_ebcovmf_fit(S = sim_data$YYt, ebnm_fn = ebnm::ebnm_point_exponential, K = 10, maxiter = 100, rank_one_tol = 10^(-8), tol = 10^(-8), refit_lam = TRUE)
This is a scatter plot of \(\hat{L}_{refit}\), the estimate from symEBcovMF:
plot_loadings(symebcovmf_overlap_refit_fit$L_pm %*% diag(sqrt(symebcovmf_overlap_refit_fit$lambda)), pop_vec, legendYN = FALSE)
This is a heatmap of the true loadings matrix:
plot_heatmap(sim_data$LL)
This is a heatmap of \(\hat{L}_{refit}\). The columns have been permuted to match the true loadings matrix:
symebcovmf_overlap_refit_fit_L_permuted <- permute_L(symebcovmf_overlap_refit_fit$L_pm, sim_data$LL)
plot_heatmap(symebcovmf_overlap_refit_fit_L_permuted, brks = seq(0, max(symebcovmf_overlap_refit_fit_L_permuted), length.out = 50))
This is a heatmap of \(\hat{L}_{refit}\) where the columns have not been permuted. The order corresponds to the order in which the factors were added.
plot_heatmap(symebcovmf_overlap_refit_fit$L_pm %*% diag(sqrt(symebcovmf_overlap_refit_fit$lambda)), brks = seq(0, max(symebcovmf_overlap_refit_fit$L_pm %*% diag(sqrt(symebcovmf_overlap_refit_fit$lambda))), length.out = 50))
This is the objective function value attained:
symebcovmf_overlap_refit_fit$elbo
[1] 1346.566
This is the crossproduct similarity of \(\hat{L}_{refit}\):
compute_crossprod_similarity(symebcovmf_overlap_refit_fit$L_pm, sim_data$LL)
[1] 0.8462461
Greedy symEBcovMF does an okay job at recovering the overlapping structure. Some of estimates match the corresponding true factors very well, e.g. factors 1, 2, and 4. However, some estimates are more dense than their corresponding true factors, e.g. factors 5, 6, 9, and 10. There are also a couple of estimates which differ from their corresponding true factors by a couple of samples, e.g. factors 3, 7, and 8.
Looking at the heatmap where the columns are ordered by the order they were added, we see that the earlier factors are more dense, while the later factors are more sparse. The factors added later are the factors which more closely match their corresponding true factors.
For comparison, I try running greedy EBCD on the data.
library(ebcd)
ebcd_init_obj <- ebcd_init(X = t(sim_data$Y))
greedy_ebcd_fit <- ebcd_greedy(ebcd_init_obj, Kmax = 10, ebnm_fn = ebnm::ebnm_point_exponential)
This is a heatmap of the estimate from greedy EBCD, \(\hat{L}_{ebcd-greedy}\):
plot_heatmap(greedy_ebcd_fit$EL, brks = seq(0, max(greedy_ebcd_fit$EL), length.out = 50))
This is the crossproduct similarity of \(\hat{L}_{ebcd-greedy}\):
compute_crossprod_similarity(greedy_ebcd_fit$EL, sim_data$LL)
[1] 0.852768
Now, we run EBCD’s backfit method.
ebcd_backfit_fit <- ebcd_backfit(greedy_ebcd_fit)
This is a heatmap of the estimate from EBCD with backfit, \(\hat{L}_{ebcd-backfit}\):
plot_heatmap(ebcd_backfit_fit$EL, brks = seq(0, max(ebcd_backfit_fit$EL), length.out = 50))
This is a heatmap of the true loadings matrix:
plot_heatmap(sim_data$LL)
This is a heatmap of \(\hat{L}_{ebcd-backfit}\). The columns have been permuted to best match the true loadings matrix.
ebcd_backfit_fit_L_permuted <- permute_L(ebcd_backfit_fit$EL, sim_data$LL)
plot_heatmap(ebcd_backfit_fit_L_permuted, brks = seq(0, max(ebcd_backfit_fit_L_permuted), length.out = 50))
This is the crossproduct similarity of \(\hat{L}_{ebcd-backfit}\):
compute_crossprod_similarity(ebcd_backfit_fit$EL, sim_data$LL)
[1] 0.9990405
We see that the greedy EBCD method performs comparably to greedy symEBcovMF. Therefore, part of the reason EBCD performs so well in this setting is its backfitting. So I suspect that backfitting will help us obtain a better estimate.
Now, we try backfitting (also with a point-exponential prior):
symebcovmf_fit_backfit <- sym_ebcovmf_backfit(sim_data$YYt, symebcovmf_overlap_refit_fit, ebnm_fn = ebnm::ebnm_point_exponential, backfit_maxiter = 100)
[1] "elbo decreased by 7.27595761418343e-12"
[1] "elbo decreased by 1.09139364212751e-11"
[1] "elbo decreased by 8.18545231595635e-12"
[1] "elbo decreased by 1.2732925824821e-11"
[1] "elbo decreased by 1.81898940354586e-12"
[1] "elbo decreased by 1.04591890703887e-11"
[1] "elbo decreased by 6.3664629124105e-12"
[1] "elbo decreased by 1.36424205265939e-11"
[1] "elbo decreased by 2.27373675443232e-12"
[1] "elbo decreased by 2.72848410531878e-12"
[1] "elbo decreased by 4.54747350886464e-12"
[1] "elbo decreased by 1.40971678774804e-11"
[1] "elbo decreased by 1.36424205265939e-12"
[1] "elbo decreased by 4.09272615797818e-12"
[1] "elbo decreased by 5.45696821063757e-12"
[1] "elbo decreased by 1.31876731757075e-11"
[1] "elbo decreased by 3.18323145620525e-12"
[1] "elbo decreased by 8.18545231595635e-12"
[1] "elbo decreased by 3.18323145620525e-12"
[1] "elbo decreased by 8.18545231595635e-12"
[1] "elbo decreased by 4.54747350886464e-13"
[1] "elbo decreased by 1.40971678774804e-11"
[1] "elbo decreased by 2.00088834390044e-11"
[1] "elbo decreased by 9.09494701772928e-13"
[1] "elbo decreased by 3.63797880709171e-12"
[1] "elbo decreased by 9.09494701772928e-13"
[1] "elbo decreased by 5.0022208597511e-12"
[1] "elbo decreased by 9.09494701772928e-13"
[1] "elbo decreased by 4.54747350886464e-13"
[1] "elbo decreased by 8.18545231595635e-12"
[1] "elbo decreased by 1.81898940354586e-12"
[1] "elbo decreased by 9.09494701772928e-13"
[1] "elbo decreased by 1.45519152283669e-11"
[1] "elbo decreased by 1.68256519827992e-11"
[1] "elbo decreased by 1.50066625792533e-11"
[1] "elbo decreased by 5.0022208597511e-12"
[1] "elbo decreased by 1.81898940354586e-12"
[1] "elbo decreased by 1.36424205265939e-12"
[1] "elbo decreased by 1.00044417195022e-11"
[1] "elbo decreased by 1.13686837721616e-11"
[1] "elbo decreased by 5.45696821063757e-12"
[1] "elbo decreased by 3.63797880709171e-12"
[1] "elbo decreased by 4.54747350886464e-13"
[1] "elbo decreased by 2.27373675443232e-12"
[1] "elbo decreased by 1.36424205265939e-11"
[1] "elbo decreased by 5.91171556152403e-12"
[1] "elbo decreased by 6.3664629124105e-12"
[1] "elbo decreased by 2.00088834390044e-11"
[1] "elbo decreased by 4.09272615797818e-12"
[1] "elbo decreased by 1.18234311230481e-11"
[1] "elbo decreased by 1.54614099301398e-11"
[1] "elbo decreased by 1.81898940354586e-12"
[1] "elbo decreased by 2.72848410531878e-12"
[1] "elbo decreased by 4.54747350886464e-13"
[1] "elbo decreased by 4.54747350886464e-12"
[1] "elbo decreased by 7.27595761418343e-12"
[1] "elbo decreased by 1.36424205265939e-12"
[1] "elbo decreased by 2.72848410531878e-12"
[1] "elbo decreased by 2.27373675443232e-12"
[1] "elbo decreased by 2.27373675443232e-12"
[1] "elbo decreased by 4.54747350886464e-13"
[1] "elbo decreased by 5.45696821063757e-12"
This is a scatter plot of \(\hat{L}_{backfit}\), the estimate from symEBcovMF:
plot_loadings(symebcovmf_fit_backfit$L_pm %*% diag(sqrt(symebcovmf_fit_backfit$lambda)), pop_vec, legendYN = FALSE)
This is a heatmap of the true loadings matrix:
plot_heatmap(sim_data$LL)
This is a heatmap of \(\hat{L}_{backfit}\). The columns have been permuted to match the true loadings matrix:
symebcovmf_fit_backfit_L_permuted <- permute_L(symebcovmf_fit_backfit$L_pm, sim_data$LL)
plot_heatmap(symebcovmf_fit_backfit_L_permuted, brks = seq(0, max(symebcovmf_fit_backfit_L_permuted), length.out = 50))
This is the objective function value attained:
symebcovmf_fit_backfit$elbo
[1] 3019.79
This is the crossproduct similarity of \(\hat{L}_{backfit}\):
compute_crossprod_similarity(symebcovmf_fit_backfit$L_pm, sim_data$LL)
[1] 0.8984952
Visually, the estimate after the backfitting appears to better match the true loadings matrix. This is corroborated by the increased cross-product similarity. For many of the factors, the estimates are very close to the true values. However, the estimate for factor 5 is noticeably off. After further inspection, we see that the best estimate for factor 3 captures the shared effects from the true factor 5 along with the shared effects from the true factor 3.
Here, I look at the residual matrix minus the estimate for factor 5 (the two-individual factor):
R <- sim_data$YYt - tcrossprod(symebcovmf_fit_backfit$L_pm[,c(2:10)] %*% diag(sqrt(symebcovmf_fit_backfit$lambda[2:10])))
plot_heatmap(R, colors_range = c('blue','gray96','red'), brks = seq(-max(abs(R)), max(abs(R)), length.out = 50))
This is the component generated from the estimate of factor 5:
component_fac5 <- tcrossprod(sqrt(symebcovmf_fit_backfit$lambda[1])*symebcovmf_fit_backfit$L_pm[,1])
plot_heatmap(component_fac5, colors_range = c('blue','gray96','red'), brks = seq(-max(abs(component_fac5)), max(abs(component_fac5)), length.out = 50))
It doesn’t make sense to me why this component would be chosen given the residual matrix.
sessionInfo()
R version 4.3.2 (2023-10-31)
Platform: aarch64-apple-darwin20 (64-bit)
Running under: macOS 15.4.1
Matrix products: default
BLAS: /Library/Frameworks/R.framework/Versions/4.3-arm64/Resources/lib/libRblas.0.dylib
LAPACK: /Library/Frameworks/R.framework/Versions/4.3-arm64/Resources/lib/libRlapack.dylib; LAPACK version 3.11.0
locale:
[1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
time zone: America/Chicago
tzcode source: internal
attached base packages:
[1] stats graphics grDevices utils datasets methods base
other attached packages:
[1] ebcd_0.0.0.9000 lpSolve_5.6.20 ggplot2_3.5.1 pheatmap_1.0.12
[5] ebnm_1.1-34 workflowr_1.7.1
loaded via a namespace (and not attached):
[1] gtable_0.3.5 xfun_0.48 bslib_0.8.0 processx_3.8.4
[5] lattice_0.22-6 callr_3.7.6 vctrs_0.6.5 tools_4.3.2
[9] ps_1.7.7 generics_0.1.3 tibble_3.2.1 fansi_1.0.6
[13] highr_0.11 pkgconfig_2.0.3 Matrix_1.6-5 SQUAREM_2021.1
[17] RColorBrewer_1.1-3 lifecycle_1.0.4 truncnorm_1.0-9 farver_2.1.2
[21] compiler_4.3.2 stringr_1.5.1 git2r_0.33.0 munsell_0.5.1
[25] getPass_0.2-4 httpuv_1.6.15 htmltools_0.5.8.1 sass_0.4.9
[29] yaml_2.3.10 later_1.3.2 pillar_1.9.0 jquerylib_0.1.4
[33] whisker_0.4.1 cachem_1.1.0 trust_0.1-8 RSpectra_0.16-2
[37] tidyselect_1.2.1 digest_0.6.37 stringi_1.8.4 dplyr_1.1.4
[41] ashr_2.2-66 labeling_0.4.3 splines_4.3.2 rprojroot_2.0.4
[45] fastmap_1.2.0 grid_4.3.2 colorspace_2.1-1 cli_3.6.3
[49] invgamma_1.1 magrittr_2.0.3 utf8_1.2.4 withr_3.0.1
[53] scales_1.3.0 promises_1.3.0 horseshoe_0.2.0 rmarkdown_2.28
[57] httr_1.4.7 deconvolveR_1.2-1 evaluate_1.0.0 knitr_1.48
[61] irlba_2.3.5.1 rlang_1.1.4 Rcpp_1.0.13 mixsqp_0.3-54
[65] glue_1.8.0 rstudioapi_0.16.0 jsonlite_1.8.9 R6_2.5.1
[69] fs_1.6.4