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test-OTHER-real-data.R
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test-OTHER-real-data.R
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library(testthat)
context("real data")
library(PeakSegJoint)
library(ggplot2)
data(H3K27ac.TDH.MMM4)
small.prob <- subset(H3K27ac.TDH.MMM4, chromStart < 7144233)
small.prob <- H3K27ac.TDH.MMM4
before.chromStart <- min(small.prob$chromStart)-1L
after.chromEnd <- max(small.prob$chromEnd)+1L
small.list <- split(small.prob, small.prob$sample.id)
zero <- function(sample.id, chrom, chromStart, chromEnd){
data.frame(sample.id, chrom, chromStart, chromEnd, count=0L)
}
with.zero.list <- list()
for(sample.id in names(small.list)){
sample.counts <- small.list[[sample.id]]
with.zero.list[[sample.id]] <-
rbind(zero(sample.id, sample.counts$chrom[1],
before.chromStart, min(sample.counts$chromStart)),
sample.counts,
zero(sample.id, sample.counts$chrom[1],
max(sample.counts$chromEnd), after.chromEnd))
}
with.zero <- do.call(rbind, with.zero.list)
fit <- PeakSegJointSeveral(with.zero)
converted <- ConvertModelList(fit)
segs <- subset(converted$segments, peaks==10)
breaks <- subset(segs, min(chromStart) < chromStart)
ggplot()+
theme_bw()+
geom_vline(xintercept=7141905/1e3)+
##coord_cartesian(xlim=c(7121907, 7144233)/1e3)+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., labeller=function(var, val){
sub("McGill0", "", sub(" ", "\n", val))
}, scales="free")+
geom_rect(aes(xmin=chromStart/1e3, xmax=chromEnd/1e3,
ymin=0, ymax=count),
fill="grey",
data=with.zero)+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean),
color="green",
data=segs)+
geom_vline(aes(xintercept=chromStart/1e3),
linetype="dashed",
color="green",
data=breaks)
data(peak.at.profile.end)
fit <- PeakSegJointSeveral(peak.at.profile.end)
sapply(fit$models, "[[", "loss")
converted <- ConvertModelList(fit)
test_that("there is no peakEnd equal to data_end", {
for(model in fit$models){
has.peak <- !is.null(model$peak_start_end)
do.check <- is.finite(model$loss) && has.peak
if(do.check){
expect_true(all(is.finite(model$seg3_mean_vec)))
expect_true(model$peak_start_end[2] < fit$data_start_end[2])
}
}
counts.list <- list()
for(sample.id in names(peak.at.profile.end)){
sample.counts <- peak.at.profile.end[[sample.id]]
counts.list[[sample.id]] <- data.frame(sample.id, sample.counts)
}
counts <- do.call(rbind, counts.list)
segs <- subset(converted$segments, peaks == max(peaks))
breaks <- subset(segs, min(chromStart) < chromStart)
ggplot()+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., labeller=function(var, val){
sub("McGill0", "", sub(" ", "\n", val))
}, scales="free")+
geom_rect(aes(xmin=chromStart/1e3, xmax=chromEnd/1e3,
ymin=0, ymax=count),
fill="grey",
data=counts)+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean),
color="green",
data=segs)+
geom_vline(aes(xintercept=chromStart/1e3),
linetype="dashed",
color="green",
data=breaks)
})
test_that("ConvertModelList stops when segments make no sense", {
fit$models[[2]]$peak_start_end[1] <- fit$data_start_end[1]
expect_error({
converted <- ConvertModelList(fit)
}, "solver reported segment less than 1 base")
})
data(peak1.infeasible)
test_that("peak1 infeasible does not corrupt bigger models", {
for(bp in 2:7){
fit <- PeakSegJointHeuristic(peak1.infeasible, bp)
peak.models <- fit$models[-1]
peak.mat <- sapply(peak.models, "[[", "peak_start_end")
peak.ok <- peak.mat[1,] < peak.mat[2,]
loss <- sapply(peak.models, "[[", "loss")
infinite.loss <- loss == Inf
is.ok <- infinite.loss | peak.ok
expect_true(all(is.ok))
}
})
test_that("Several detects peaks", {
fit <- PeakSegJointSeveral(peak1.infeasible)
peak.models <- fit$models[-1]
loss <- sapply(peak.models, "[[", "loss")
expect_true(all(is.finite(loss)))
})
data(H3K4me3.PGP.immune.chunk2)
test_that("all samples with peaks can not be selected", {
for(bp in c(2, 5)){
fit <- PeakSegJointHeuristic(H3K4me3.PGP.immune.chunk2, bp)
converted <- ConvertModelList(fit)
segs27 <- subset(converted$segments, peaks == max(peaks))
breaks27 <- subset(segs27, min(chromStart) < chromStart)
ggplot()+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., labeller=function(var, val){
sub("McGill0", "", sub(" ", "\n", val))
}, scales="free")+
geom_step(aes(chromStart/1e3, count),
data=H3K4me3.PGP.immune.chunk2,
color="grey50")+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean),
data=segs27,
color="green",
size=1)+
geom_vline(aes(xintercept=chromStart/1e3),
data=breaks27,
color="green",
linetype="dashed")
ggplot()+
geom_segment(aes(chromStart/1e3, peaks,
xend=chromEnd/1e3, yend=peaks),
data=converted$peaks)+
scale_y_continuous(limits=c(1, 27), breaks=c(1, 27))
loss <- converted$loss
loss$cummin <- cummin(loss$loss)
## TDH 24 July 2015 do not allow infeasible models.
##with(loss, expect_equal(loss, cummin))
##exact <- with(loss, exactModelSelection(loss, peaks, peaks))
##expect_true(27 %in% exact$peaks)
}
})
data(H3K36me3.AM.immune.chunk21)
test_that("21 peak loss < 20 peak loss", {
fit <- PeakSegJointHeuristicStep2(H3K36me3.AM.immune.chunk21)
converted <- ConvertModelList(fit)
with(converted$loss, {
expect_that(loss[22], is_less_than(loss[21]))
})
segs <- subset(converted$segments, peaks %in% c(20, 21))
segs$peaks.str <- paste(segs$peaks)
ggplot()+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., labeller=function(var, val){
sub("McGill0", "", sub(" ", "\n", val))
}, scales="free")+
geom_step(aes(chromStart/1e3, count),
data=H3K36me3.AM.immune.chunk21,
color="grey50")+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
size=peaks.str,
color=peaks.str),
data=segs)+
scale_size_manual(values=c("21"=1, "20"=2))
## Begin R implementation of multiple sample constrained
## segmentation heuristic. Input: profiles data.frame.
profiles <- H3K36me3.AM.immune.chunk21
unfilled.profile.list <- split(profiles, profiles$sample.id, drop=TRUE)
unfilled.chromStart <- min(sapply(unfilled.profile.list, with, chromStart[1]))
unfilled.chromEnd <-
max(sapply(unfilled.profile.list, with, chromEnd[length(chromEnd)]))
unfilled.bases <- unfilled.chromEnd-unfilled.chromStart
bin.factor <- 2L
bases.per.bin <- 1L
while(unfilled.bases/bases.per.bin/bin.factor >= 4){
bases.per.bin <- bases.per.bin * bin.factor
}
n.bins <- as.integer(unfilled.bases %/% bases.per.bin + 1L)
expect_equal(fit$n_bins, n.bins)
expect_equal(fit$bases_per_bin, bases.per.bin)
expect_equal(fit$bin_factor, bin.factor)
R.data.start.end <- c(unfilled.chromStart, unfilled.chromEnd)
expect_equal(fit$data_start_end, R.data.start.end)
extra.bases <- n.bins * bases.per.bin - unfilled.bases
extra.before <- as.integer(extra.bases/2)
extra.after <- extra.bases - extra.before
max.chromStart <- unfilled.chromStart-extra.before
min.chromEnd <- unfilled.chromEnd + extra.after
profile.list <- list()
for(sample.id in names(unfilled.profile.list)){
one.sample <-
subset(unfilled.profile.list[[sample.id]],
unfilled.chromStart < chromEnd &
chromStart < unfilled.chromEnd)
profile.list[[sample.id]] <- one.sample
}
bases <- min.chromEnd-max.chromStart
## End pre-processing to add zeros.
expect_identical(fit$bin_start_end[1], max.chromStart)
expect_identical(fit$bin_start_end[2], min.chromEnd)
## Small bins are just for testing the computation of the loss
## function in the R implementation, and should not be ported to C
## code.
n.samples <- length(profile.list)
small.chromEnd <- (max.chromStart+1):min.chromEnd
small.bins <-
matrix(NA, bases, n.samples,
dimnames=list(position=small.chromEnd,
sample.id=names(profile.list)))
for(sample.id in names(profile.list)){
one <- profile.list[[sample.id]]
bins <- binSum(one, max.chromStart, n.bins=bases, empty.as.zero=TRUE)
stopifnot(bins$chromEnd == small.chromEnd)
small.bins[, sample.id] <- bins$count
}
na.mat <-
matrix(NA, n.bins, n.samples,
dimnames=list(bin=NULL, sample.id=names(profile.list)))
first.cumsums <- list(count=na.mat)
bin.list <- list()
norm.list <- list()
for(sample.i in seq_along(profile.list)){
sample.id <- names(profile.list)[sample.i]
one <- profile.list[[sample.i]]
max.count <- max(one$count)
bins <- binSum(one, max.chromStart, bases.per.bin, n.bins)
stopifnot(n.bins == nrow(bins))
bins$mean <- with(bins, count/(chromEnd-chromStart))
bins$mean.norm <- bins$mean/max.count
bin.list[[sample.id]] <- data.frame(sample.id, rbind(bins, NA))
bases.vec <- with(bins, chromEnd-chromStart)
stopifnot(bins$count >= 0)
first.cumsums$count[, sample.i] <- cumsum(bins$count)
one$count.norm <- one$count/max.count
norm.list[[sample.i]] <- one
}
bin.df <- do.call(rbind, bin.list)
norm.df <- do.call(rbind, norm.list)
ggplot()+
scale_color_manual(values=c(data="grey50",
bins="black", segments="green"))+
geom_step(aes(chromStart/1e3, count, color=what),
data=data.frame(norm.df, what="data"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
data=data.frame(bin.df, what="bins"))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
## The formula for the optimal Poisson loss
## for 1 segment with d integer data points x_j is
## \sum_{j=1}^d m - x_j \log m_j =
## ( \sum_{j=1}^d x_j ) (1-\log m)
## where the segment mean m = (\sum x_j)/d,
OptimalPoissonLoss <- function(mean.value, cumsum.value){
ifelse(mean.value == 0, 0, cumsum.value * (1-log(mean.value)))
}
loss.list <- list()
peak.list <- list()
seg.list <- list()
best.loss.list <- list()
flat.cumsums <- first.cumsums$count[n.bins, ]
flat.means <- flat.cumsums/unfilled.bases
expect_equal(fit$sample_mean_vec, as.numeric(flat.means))
flat.loss.vec <- OptimalPoissonLoss(flat.means, flat.cumsums)
best.loss.list[["0"]] <- sum(flat.loss.vec)
for(seg1.last in 1:(n.bins-2)){
seg1.cumsums <- first.cumsums$count[seg1.last, ]
seg1.bases <- seg1.last*bases.per.bin
seg1.chromEnd <- seg1.bases + max.chromStart
seg1.corrected <- seg1.bases - extra.before
seg1.means <- seg1.cumsums/seg1.corrected
seg1.loss.vec <- OptimalPoissonLoss(seg1.means, seg1.cumsums)
seg1.loss <- sum(seg1.loss.vec)
for(seg2.last in (seg1.last+1):(n.bins-1)){
cumsum.seg2.end <- first.cumsums$count[seg2.last, ]
seg2.cumsums <- cumsum.seg2.end-seg1.cumsums
seg12.bases <- seg2.last*bases.per.bin
seg2.bases <- seg12.bases - seg1.bases
seg2.chromEnd <- seg1.chromEnd + seg2.bases
seg2.means <- seg2.cumsums/seg2.bases
seg2.loss.vec <- OptimalPoissonLoss(seg2.means, seg2.cumsums)
seg2.loss <- sum(seg2.loss.vec)
seg3.cumsums <- first.cumsums$count[n.bins, ]-cumsum.seg2.end
seg3.bases <- bases - seg12.bases
seg3.corrected <- seg3.bases - extra.after
seg3.means <- seg3.cumsums/seg3.corrected
mean.mat <- rbind(seg1.means, seg2.means, seg3.means)
this.seg.list <- list()
for(sample.id in colnames(mean.mat)){
this.seg.list[[sample.id]] <-
data.frame(sample.id,
chromStart=c(max.chromStart, seg1.chromEnd, seg2.chromEnd,
max.chromStart),
chromEnd=c(seg1.chromEnd, seg2.chromEnd, min.chromEnd,
min.chromEnd),
mean=c(mean.mat[, sample.id], flat.means[[sample.id]]),
segments=c(3, 3, 3, 1))
}
these.segs <- do.call(rbind, this.seg.list)
ggplot()+
scale_color_manual(values=c(data="grey50",
bins="black", segments="green"))+
geom_step(aes(chromStart/1e3, count, color=what),
data=data.frame(norm.df, what="data"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
size=1,
data=data.frame(these.segs, what="segments"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
data=data.frame(bin.df, what="bins"))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
seg3.loss.vec <- OptimalPoissonLoss(seg3.means, seg3.cumsums)
seg3.loss <- sum(seg3.loss.vec)
seg123.loss.vec <- seg1.loss.vec + seg2.loss.vec + seg3.loss.vec
peak.feasible <- seg1.means < seg2.means & seg2.means > seg3.means
if(any(peak.feasible)){
diff.loss.vec <- flat.loss.vec - seg123.loss.vec
possible.df <-
data.frame(flat.loss.vec, seg123.loss.vec,
diff.loss.vec, peak.feasible)
feasible.df <- subset(possible.df, peak.feasible)
ordered.df <-
feasible.df[order(feasible.df$diff.loss.vec, decreasing = TRUE), ]
for(peaks in 1:nrow(ordered.df)){
with.peaks <- ordered.df[1:peaks, ]
with.segs <-
subset(these.segs,
sample.id %in% rownames(with.peaks) & segments==3)
without.segs <-
subset(these.segs,
!sample.id %in% rownames(with.peaks) & segments==1)
without.peaks <-
possible.df[!rownames(possible.df) %in% rownames(with.peaks),]
with.loss <- with.peaks$seg123.loss.vec
without.loss <- without.peaks$flat.loss.vec
total.loss <- sum(with.loss, without.loss)
loss.list[[paste(peaks)]][[paste(seg1.last, seg2.last)]] <-
data.frame(seg1.last, seg2.last, peaks, total.loss)
peak.list[[paste(peaks)]][[paste(seg1.last, seg2.last)]] <-
data.frame(sample.id=rownames(with.peaks),
chromStart=seg1.last*bases.per.bin+max.chromStart,
chromEnd=seg2.last*bases.per.bin+max.chromStart)
seg.list[[paste(peaks)]][[paste(seg1.last, seg2.last)]] <-
rbind(without.segs, with.segs)
}#peaks
}#any(peak.feasible)
}#seg2.last
}#seg1.last
best.seg.list <- list()
best.peak.list <- list()
best.indices.list <- list()
for(peaks.str in names(loss.list)){
loss.df <- do.call(rbind, loss.list[[peaks.str]])
loss.best <- loss.df[which.min(loss.df$total.loss), ]
best.indices.list[[peaks.str]] <- loss.best
last.str <- with(loss.best, paste(seg1.last, seg2.last))
peaks <- as.numeric(peaks.str)
model.i <- peaks + 1
model <- fit$models[[model.i]]
peak.df <- peak.list[[peaks.str]][[last.str]]
sample.i <- model$samples_with_peaks_vec + 1
C.sample.id <- fit$sample.id[sample.i]
C.sample.sorted <- sort(paste(C.sample.id))
R.sample.sorted <- sort(paste(peak.df$sample.id))
expect_identical(C.sample.sorted, R.sample.sorted)
seg.df <- seg.list[[peaks.str]][[last.str]]
ggplot()+
ggtitle(paste0("best model with ", peaks,
" peak", ifelse(peaks==1, "", "s")))+
scale_color_manual(values=c(data="grey50",
bins="black", segments="green"))+
geom_step(aes(chromStart/1e3, count, color=what),
data=data.frame(norm.df, what="data"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
size=1,
data=data.frame(seg.df, what="segments"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
data=data.frame(bin.df, what="bins"))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
best.seg.list[[peaks.str]] <- data.frame(peaks, seg.df)
best.peak.list[[peaks.str]] <-
data.frame(peaks, y=peaks*-0.1, peak.df)
best.loss.list[[peaks.str]] <- loss.best$total.loss
}
best.peaks <- do.call(rbind, best.peak.list)
by.sample.loc <-
split(best.peaks, with(best.peaks, paste(sample.id, chromStart, chromEnd)))
short.label.list <- list()
for(sample.loc.name in names(by.sample.loc)){
sample.loc <- by.sample.loc[[sample.loc.name]]
peaks.txt <- paste(sample.loc$peaks, collapse=",")
short.label.list[[sample.loc.name]] <-
data.frame(sample.loc[1,], peaks.txt)
}
short.labels <- do.call(rbind, short.label.list)
best.peaks$sample.id <- factor(best.peaks$sample.id, names(profile.list))
sample.counts <- table(best.peaks$sample.id)
dftype <- function(what, df){
df$sample.id <- factor(df$sample.id, names(sample.counts))
data.frame(what, df)
}
ggplot()+
scale_color_manual(values=c(data="grey50",
bins="black", peaks="deepskyblue"))+
geom_step(aes(chromStart/1e3, count.norm, color=what),
data=dftype("data", norm.df))+
geom_segment(aes(chromStart/1e3, y,
xend=chromEnd/1e3, yend=y,
color=what),
size=1,
data=dftype("peaks", best.peaks))+
geom_text(aes(chromStart/1e3, y,
label=paste0(peaks, " peak",
ifelse(peaks==1, "", "s"), " "),
color=what),
hjust=1,
size=3,
vjust=0.5,
data=dftype("peaks", best.peaks))+
geom_segment(aes(chromStart/1e3, mean.norm,
xend=chromEnd/1e3, yend=mean.norm,
color=what),
data=dftype("bins", bin.df))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
## for 0, 1, ..., maxPeaks, run the bin pyramid grid search,
## around the peaks found in this first step.
library(PeakError)
zoom.peak.list <- list("0"=Peaks())
zoom.loss.list <-
list("0"=data.frame(peaks=0, loss=sum(flat.loss.vec)))
peaks.str <- "21"
for(peaks.str in names(best.indices.list)){
loss.best <- best.indices.list[[peaks.str]]
best.peak.df <- best.peak.list[[peaks.str]]
samples.with.peaks <- paste(best.peak.df$sample.id)
flat.without.peaks <- sum(flat.loss.vec)-
sum(flat.loss.vec[samples.with.peaks])
sub.norm.df <- subset(norm.df, sample.id %in% samples.with.peaks)
sub.bin.df <- subset(bin.df, sample.id %in% samples.with.peaks)
n.samples <- length(samples.with.peaks)
last.cumsums <- list()
before.cumsums <- list(left=list(), right=list())
for(data.type in names(first.cumsums)){
data.mat <- first.cumsums[[data.type]]
last.cumsums[[data.type]] <-
data.mat[nrow(data.mat),][samples.with.peaks]
before.cumsums$left[[data.type]] <- if(loss.best$seg1.last == 1){
structure(rep(0, n.samples), names=samples.with.peaks)
}else{
data.mat[loss.best$seg1.last-1,][samples.with.peaks]
}
before.cumsums$right[[data.type]] <-
data.mat[loss.best$seg2.last-1,][samples.with.peaks]
}
last.chromEnd <- min.chromEnd
n.bins.zoom <- bin.factor * 2L
n.cumsum <- n.bins.zoom + 1L
## These will change at the end of each iteration.
peakStart <- best.peak.df$chromStart[1]
peakEnd <- best.peak.df$chromEnd[1]
search.list <- list()
best.list <- list()
bases.per.bin.zoom <- bases.per.bin
while(bases.per.bin.zoom > 1){
left.chromStart <- peakStart - bases.per.bin.zoom
right.chromStart <- peakEnd-bases.per.bin.zoom
bases.per.bin.zoom <- as.integer(bases.per.bin.zoom / bin.factor)
cumsum.list <- function(chromStart){
limits <- bases.per.bin.zoom*(0:(n.cumsum-1))+chromStart
chromStart.vec <- limits[-length(limits)]
chromEnd.vec <- limits[-1]
intervals <-
paste0(chromStart.vec, "-", chromEnd.vec)
dn <- list(bin=c("before", intervals), sample.id=samples.with.peaks)
m <- matrix(NA, n.cumsum, n.samples, dimnames=dn)
list(count=m,
chromStart=chromStart.vec, chromEnd=chromEnd.vec)
}
cumsum.mats <-
list(left=cumsum.list(left.chromStart),
right=cumsum.list(right.chromStart))
for(sample.i in seq_along(samples.with.peaks)){
sample.id <- samples.with.peaks[[sample.i]]
one <- profile.list[[sample.id]]
lr.list <-
list(left=binSum(one, left.chromStart,
bases.per.bin.zoom, n.bins.zoom),
right=binSum(one, right.chromStart,
bases.per.bin.zoom, n.bins.zoom,
empty.as.zero=TRUE))
for(lr in names(lr.list)){
lr.bins <- lr.list[[lr]]
stopifnot(nrow(lr.bins) == n.bins.zoom)
lr.bases <- with(lr.bins, chromEnd-chromStart)
lr.before <- before.cumsums[[lr]]
lr.counts <- list(count=lr.bins$count)
for(data.type in names(lr.counts)){
lr.count.vec <-
c(lr.before[[data.type]][[sample.id]], lr.counts[[data.type]])
cumsum.mats[[lr]][[data.type]][, sample.id] <-
cumsum(lr.count.vec)
}
}
}
left.mat <- t(cumsum.mats$left$count[-1,])
colnames(left.mat) <- NULL
right.mat <- t(cumsum.mats$right$count[-1,])
colnames(right.mat) <- NULL
## print(bases.per.bin.zoom)
## print(left.mat)
## print(right.mat)
## print(as.integer(cumsum.mats$right$count[1,]))
possible.grid <-
expand.grid(left.cumsum.row=3:n.cumsum, right.cumsum.row=2:n.cumsum)
possible.grid$left.chromStart <-
cumsum.mats$left$chromStart[possible.grid$left.cumsum.row-1]
possible.grid$left.chromEnd <-
cumsum.mats$left$chromEnd[possible.grid$left.cumsum.row-1]
possible.grid$right.chromStart <-
cumsum.mats$right$chromStart[possible.grid$right.cumsum.row-1]
possible.grid$right.chromEnd <-
cumsum.mats$right$chromEnd[possible.grid$right.cumsum.row-1]
feasible.grid <-
subset(possible.grid,
left.chromEnd <= right.chromStart &
right.chromEnd < last.chromEnd)
feasible.grid$model.i <- 1:nrow(feasible.grid)
model.list <- list()
seg.list <- list()
sample.loss.list <- list()
for(model.i in feasible.grid$model.i){
model.row <- feasible.grid[model.i, ]
seg1.i <- model.row$left.cumsum.row-1
seg1.cumsums <- cumsum.mats$left$count[seg1.i, ]
seg1.chromEnd <- cumsum.mats$left$chromStart[seg1.i]
seg1.bases <- seg1.chromEnd-max.chromStart
seg1.corrected <- seg1.bases - extra.before
seg1.means <- seg1.cumsums/seg1.corrected
seg1.loss <- OptimalPoissonLoss(seg1.means, seg1.cumsums)
seg.list[[paste(model.i, 1)]] <-
data.frame(chromStart=max.chromStart, chromEnd=seg1.chromEnd,
mean=seg1.means, sample.id=samples.with.peaks,
model.i,
row.names=NULL)
seg1.mat <-
small.bins[small.chromEnd <= seg1.chromEnd,
samples.with.peaks,
drop=FALSE]
stopifnot(nrow(seg1.mat) == seg1.bases)
## stopifnot(all.equal(as.numeric(colMeans(seg1.mat)),
## as.numeric(seg1.means)))
cumsum.seg2.end <-
cumsum.mats$right$count[model.row$right.cumsum.row, ]
seg2.cumsums <- cumsum.seg2.end-seg1.cumsums
seg2.chromEnd <-
cumsum.mats$right$chromEnd[model.row$right.cumsum.row-1]
seg2.bases <- seg2.chromEnd-seg1.chromEnd
seg2.means <- seg2.cumsums/seg2.bases
seg2.loss <- OptimalPoissonLoss(seg2.means, seg2.cumsums)
seg.list[[paste(model.i, 2)]] <-
data.frame(chromStart=seg1.chromEnd, chromEnd=seg2.chromEnd,
mean=seg2.means, sample.id=samples.with.peaks,
model.i,
row.names=NULL)
is.seg2 <-
seg1.chromEnd < small.chromEnd &
small.chromEnd <= seg2.chromEnd
stopifnot(sum(is.seg2) == seg2.bases)
seg2.mat <-
small.bins[is.seg2,
samples.with.peaks,
drop=FALSE]
stopifnot(all.equal(as.numeric(colMeans(seg2.mat)),
as.numeric(seg2.means)))
seg3.cumsums <- last.cumsums$count-cumsum.seg2.end
seg3.bases <- last.chromEnd-seg2.chromEnd
seg3.corrected <- seg3.bases - extra.after
seg3.means <- seg3.cumsums/seg3.corrected
seg3.loss <- OptimalPoissonLoss(seg3.means, seg3.cumsums)
seg.list[[paste(model.i, 3)]] <-
data.frame(chromStart=seg2.chromEnd, chromEnd=last.chromEnd,
mean=seg3.means, sample.id=samples.with.peaks,
model.i,
row.names=NULL)
is.seg3 <-
seg2.chromEnd < small.chromEnd &
small.chromEnd <= last.chromEnd
stopifnot(sum(is.seg3) == seg3.bases)
seg3.mat <-
small.bins[is.seg3,
samples.with.peaks,
drop=FALSE]
## stopifnot(all.equal(as.numeric(colMeans(seg3.mat)),
## as.numeric(seg3.means)))
total.bases <- sum(seg1.bases + seg2.bases + seg3.bases)
stopifnot(all.equal(total.bases, last.chromEnd - max.chromStart))
total.loss <- sum(seg1.loss + seg2.loss + seg3.loss)
with.without.loss <- flat.without.peaks + total.loss
total.loss.vec <- seg1.loss+seg2.loss+seg3.loss
feasible.vec <- seg1.means < seg2.means & seg2.means > seg3.means
model.list[[model.i]] <-
data.frame(model.row, total.loss, with.without.loss,
feasible=all(feasible.vec))
sample.loss.list[[model.i]] <-
data.frame(sample.id=samples.with.peaks, loss=total.loss.vec)
}
## Plot the segment means as a reality check.
seg.df <- do.call(rbind, seg.list)
segPlot <-
ggplot()+
geom_step(aes(chromStart/1e3, count),
data=data.frame(sub.norm.df, what="data"),
color="grey")+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean),
data=data.frame(seg.df, what="models"),
size=1, color="green")+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ model.i, scales="free")
## Then plot the peaks only, colored by total cost of the model.
model.df <- do.call(rbind, model.list)
model.df$y <- with(model.df, model.i/max(model.i))
feasible.models <- subset(model.df, feasible)
best.model <- feasible.models[which.min(feasible.models$total.loss), ]
ggplot()+
coord_equal()+
geom_point(aes(with.without.loss, total.loss),
data=model.df)
binPlot <-
ggplot()+
xlab("position on chromosome (kilobases = kb)")+
scale_y_continuous("", breaks=NULL)+
geom_step(aes(chromStart/1e3, count.norm),
data=data.frame(sub.norm.df, what="data"),
color="grey")+
geom_segment(aes(chromStart/1e3, mean.norm,
xend=chromEnd/1e3, yend=mean.norm),
data=data.frame(sub.bin.df, what="bins"),
color="black")+
geom_segment(aes(peakStart/1e3, 0,
xend=peakEnd/1e3, yend=0),
data=data.frame(loss.best, what="peak"),
color="green")+
scale_linetype_manual(values=c("TRUE"=1, "FALSE"=2))+
geom_segment(aes(left.chromStart/1e3, y,
color=total.loss,
linetype=feasible,
xend=right.chromEnd/1e3, yend=y),
data=data.frame(model.df, sample.id="peaks"),
size=1)+
geom_text(aes(left.chromStart/1e3, y,
label="optimal "),
data=data.frame(best.model, sample.id="peaks"),
hjust=1)+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ .)
search.list[[paste(bases.per.bin.zoom)]] <-
data.frame(bases.per.bin.zoom, model.df)
best.list[[paste(bases.per.bin.zoom)]] <-
data.frame(bases.per.bin.zoom, best.model)
peakStart <- best.model$left.chromStart
peakEnd <- best.model$right.chromEnd
## cat(sprintf("\nn_peaks=%s bases_per_bin=%d [%d,%d] loss=%15.6f\n",
## peaks.str, bases.per.bin.zoom,
## peakStart, peakEnd, best.model$total.loss))
before.i.list <-
list(left=best.model$left.cumsum.row-2,
right=best.model$right.cumsum.row-1)
for(lr in names(before.i.list)){
before.i <- before.i.list[[lr]]
mats <- cumsum.mats[[lr]]
before.cumsums[[lr]]$count <-
structure(mats$count[before.i,],
names=colnames(mats$count))
}
}##while(bases.per.bin.zoom)
samplefac <- function(L){
df <- do.call(rbind, L)
sample.ids <- unique(norm.df$sample.id)
bases.num <- sort(unique(df$bases.per.bin.zoom), decreasing=TRUE)
levs <- c(paste(sample.ids), paste(bases.num))
df$sample.id <- factor(df$bases.per.bin.zoom, levs)
df
}
search.df <- samplefac(search.list)
best.df <- samplefac(best.list)
C.cols <-
c("bases.per.bin.zoom", "left.chromStart",
"right.chromEnd", "with.without.loss")
best.df[, C.cols]
searchPlot <-
ggplot()+
xlab("position on chromosome (kilobases = kb)")+
scale_y_continuous("", breaks=NULL)+
geom_step(aes(chromStart/1e3, count.norm),
data=data.frame(sub.norm.df, what="data"),
color="grey")+
geom_segment(aes(chromStart/1e3, mean.norm,
xend=chromEnd/1e3, yend=mean.norm),
data=data.frame(sub.bin.df, what="bins"),
color="black")+
geom_segment(aes(left.chromStart/1e3, y,
color=total.loss,
xend=right.chromEnd/1e3, yend=y),
data=search.df,
size=1)+
geom_text(aes(left.chromStart/1e3, y,
label="selected"),
data=best.df,
hjust=1)+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., labeller=function(var, val){
sub("McGill0", "", val)
})
## Check R=C implementation.
peaks <- as.numeric(peaks.str)
model.i <- peaks + 1
model <- fit$models[[model.i]]
sample.i <- model$samples_with_peaks_vec + 1
C.sample.id <- fit$sample.id[sample.i]
for(seg.i in 1:3){
model.name <- paste(best.model$model.i, seg.i)
seg.i.df <- seg.list[[model.name]]
rownames(seg.i.df) <- seg.i.df$sample.id
R.mean.vec <- as.numeric(seg.i.df[C.sample.id, "mean"])
C.mean.vec <- model[[sprintf("seg%d_mean_vec", seg.i)]]
expect_equal(C.mean.vec, R.mean.vec)
}
C.start.end <- model$peak_start_end
R.start.end <- c(peakStart, peakEnd)
expect_identical(C.start.end, R.start.end)
loss.with.peaks <- sample.loss.list[[best.model$model.i]]
samples.without.peaks <-
names(profile.list)[!names(profile.list) %in% samples.with.peaks]
loss.without.peaks <-
data.frame(sample.id=samples.without.peaks,
loss=flat.loss.vec[samples.without.peaks])
sample.loss.df <- rbind(loss.with.peaks, loss.without.peaks)
peaks <- as.numeric(peaks.str)
zoom.loss.list[[peaks.str]] <-
data.frame(peaks, loss=sum(sample.loss.df$loss))
zoom.peak.list[[peaks.str]] <-
data.frame(peaks, sample.id=samples.with.peaks,
chromStart=peakStart, chromEnd=peakEnd)
}#peaks.str
zoom.peaks <- do.call(rbind, zoom.peak.list)
zoom.loss <- do.call(rbind, zoom.loss.list)
R.loss.vec <- as.numeric(zoom.loss$loss)
C.loss.vec <- sapply(fit$models, "[[", "loss")
expect_equal(C.loss.vec, R.loss.vec)
ggplot()+
scale_color_manual(values=c(data="grey50",
bins="black", peaks="deepskyblue"))+
geom_step(aes(chromStart/1e3, count.norm, color=what),
data=dftype("data", norm.df))+
geom_segment(aes(chromStart/1e3, -peaks*0.1,
xend=chromEnd/1e3, yend=-peaks*0.1,
color=what),
size=1,
data=dftype("peaks", zoom.peaks))+
geom_text(aes(chromStart/1e3, -peaks*0.1,
label=paste0(peaks,
" peak",
ifelse(peaks==1, "", "s"),
" "),
color=what),
hjust=1,
vjust=0.5,
size=3,
data=dftype("peaks", zoom.peaks))+
geom_segment(aes(chromStart/1e3, mean.norm,
xend=chromEnd/1e3, yend=mean.norm,
color=what),
data=dftype("bins", bin.df))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
ggplot()+
geom_segment(aes(chromStart/1e3, peaks,
xend=chromEnd/1e3, yend=peaks),
data=zoom.peaks)
ggplot(zoom.loss, aes(peaks, loss))+
geom_point()+
geom_line()
})
test_that("Step1 C result agrees with R", {
profiles <- H3K36me3.AM.immune.chunk21
fit <- PeakSegJointHeuristicStep1(profiles)
unfilled.profile.list <- split(profiles, profiles$sample.id, drop=TRUE)
unfilled.chromStart <- min(sapply(unfilled.profile.list, with, chromStart[1]))
unfilled.chromEnd <-
max(sapply(unfilled.profile.list, with, chromEnd[length(chromEnd)]))
unfilled.bases <- unfilled.chromEnd-unfilled.chromStart
bin.factor <- 2L
bases.per.bin <- 1L
while(unfilled.bases/bases.per.bin/bin.factor >= 4){
bases.per.bin <- bases.per.bin * bin.factor
}
n.bins <- as.integer(unfilled.bases %/% bases.per.bin + 1L)
expect_equal(fit$n_bins, n.bins)
expect_equal(fit$bases_per_bin, bases.per.bin)
expect_equal(fit$bin_factor, bin.factor)
R.data.start.end <- c(unfilled.chromStart, unfilled.chromEnd)
expect_equal(fit$data_start_end, R.data.start.end)
extra.bases <- n.bins * bases.per.bin - unfilled.bases
extra.before <- as.integer(extra.bases/2)
extra.after <- extra.bases - extra.before
max.chromStart <- unfilled.chromStart-extra.before
min.chromEnd <- unfilled.chromEnd + extra.after
profile.list <- list()
for(sample.id in names(unfilled.profile.list)){
one.sample <-
subset(unfilled.profile.list[[sample.id]],
unfilled.chromStart < chromEnd &
chromStart < unfilled.chromEnd)
profile.list[[sample.id]] <- one.sample
}
bases <- min.chromEnd-max.chromStart
## End pre-processing to add zeros.
expect_identical(fit$bin_start_end[1], max.chromStart)
expect_identical(fit$bin_start_end[2], min.chromEnd)
## Small bins are just for testing the computation of the loss
## function in the R implementation, and should not be ported to C
## code.
n.samples <- length(profile.list)
small.chromEnd <- (max.chromStart+1):min.chromEnd
small.bins <-
matrix(NA, bases, n.samples,
dimnames=list(position=small.chromEnd,
sample.id=names(profile.list)))
for(sample.id in names(profile.list)){
one <- profile.list[[sample.id]]
bins <- binSum(one, max.chromStart, n.bins=bases, empty.as.zero=TRUE)
stopifnot(bins$chromEnd == small.chromEnd)
small.bins[, sample.id] <- bins$count
}
na.mat <-
matrix(NA, n.bins, n.samples,
dimnames=list(bin=NULL, sample.id=names(profile.list)))
first.cumsums <- list(count=na.mat)
bin.list <- list()
norm.list <- list()
for(sample.i in seq_along(profile.list)){
sample.id <- names(profile.list)[sample.i]
one <- profile.list[[sample.i]]
max.count <- max(one$count)
bins <- binSum(one, max.chromStart, bases.per.bin, n.bins)
stopifnot(n.bins == nrow(bins))
bins$mean <- with(bins, count/(chromEnd-chromStart))
bins$mean.norm <- bins$mean/max.count
bin.list[[sample.id]] <- data.frame(sample.id, rbind(bins, NA))
bases.vec <- with(bins, chromEnd-chromStart)
stopifnot(bins$count >= 0)
first.cumsums$count[, sample.i] <- cumsum(bins$count)
one$count.norm <- one$count/max.count
norm.list[[sample.i]] <- one
}
bin.df <- do.call(rbind, bin.list)
norm.df <- do.call(rbind, norm.list)
ggplot()+
scale_color_manual(values=c(data="grey50",
bins="black", segments="green"))+
geom_step(aes(chromStart/1e3, count, color=what),
data=data.frame(norm.df, what="data"))+
geom_segment(aes(chromStart/1e3, mean,
xend=chromEnd/1e3, yend=mean,
color=what),
data=data.frame(bin.df, what="bins"))+
theme_bw()+
theme(panel.margin=grid::unit(0, "cm"))+
facet_grid(sample.id ~ ., scales="free", labeller=function(var, val){
sub("McGill0", "", val)
})
## The formula for the optimal Poisson loss
## for 1 segment with d integer data points x_j is
## \sum_{j=1}^d m - x_j \log m_j =
## ( \sum_{j=1}^d x_j ) (1-\log m)
## where the segment mean m = (\sum x_j)/d,
OptimalPoissonLoss <- function(mean.value, cumsum.value){
ifelse(mean.value == 0, 0, cumsum.value * (1-log(mean.value)))
}
loss.list <- list()
peak.list <- list()
seg.list <- list()
best.loss.list <- list()
flat.cumsums <- first.cumsums$count[n.bins, ]
flat.means <- flat.cumsums/unfilled.bases
expect_equal(fit$sample_mean_vec, as.numeric(flat.means))
flat.loss.vec <- OptimalPoissonLoss(flat.means, flat.cumsums)
R.flat.loss <- as.numeric(flat.loss.vec[fit$sample.id])
expect_equal(fit$flat_loss_vec, R.flat.loss)
best.loss.list[["0"]] <- sum(flat.loss.vec)
for(seg1.last in 1:(n.bins-2)){
seg1.cumsums <- first.cumsums$count[seg1.last, ]
seg1.bases <- seg1.last*bases.per.bin
seg1.chromEnd <- seg1.bases + max.chromStart
seg1.corrected <- seg1.bases - extra.before