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05-CrossValidation.Rmd
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05-CrossValidation.Rmd
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---
title: "Parent-wise cross-validation to check the accuracy of predicting cross (co)-variances"
author: "Marnin Wolfe"
date: "2021-May-14"
output:
workflowr::wflow_html:
toc: true
editor_options:
chunk_output_type: inline
---
```{r setup, include=FALSE}
knitr::opts_chunk$set(echo = TRUE, message = FALSE, warning = F,
tidy='styler', tidy.opts=list(strict=FALSE,width.cutoff=100), highlight=TRUE)
```
# Previous step
4. [Preprocess data files](04-PreprocessDataFiles.html): Prepare haplotype and dosage matrices, pedigree and BLUPs, genetic map *and* recombination frequency matrix, for use in predictions.
# Automating cross-validation
In the manuscript, the cross-validation is documented many pages and scripts, [documented here](https://wolfemd.github.io/PredictOutbredCrossVar/).
For ongoing GS, I have a function `runCrossVal()` that manages all inputs and outputs easy to work with pre-computed accuracies.
Goal here is to make a function: `runParentWiseCrossVal()`, or at least make progress towards developing one.
*However*, for computational reasons, I imagine it might still be best to separate the task into a few functions.
# `runParentWiseCrossVal()`
```{bash, eval=F}
cd /home/jj332_cas/marnin/implementGMSinCassava/;
export OMP_NUM_THREADS=56 # activate multithread OpenBLAS
##### [considered]
######/programs/R-4.0.0/bin/R # switched to R V4, having trouble with sommer/Matrix in v3.5
## may have to reinstall packages
```
```{r, eval=F}
# runCrossVal<-function(TrainTestData,modelType,grms,nrepeats,nfolds,ncores=1,
# byGroup=FALSE,augmentTP=NULL,gid="GID",...)
```
## Make parent-wise folds
```{r inputs}
require(tidyverse); require(magrittr); require(rsample)
ped<-read.table(here::here("output","verified_ped.txt"),
header = T, stringsAsFactors = F) %>%
rename(GID=FullSampleName,
damID=DamID,
sireID=SireID) %>%
dplyr::select(GID,sireID,damID)
# only families with _at least_ 2 offspring
ped %<>%
semi_join(ped %>% count(sireID,damID) %>% filter(n>1) %>% ungroup())
gid<-"GID"
seed<-42
nrepeats<-5
nfolds<-5
```
```{r makeParentFolds}
# Prunes out offspring, grandkids, greatgrandkids (up to X4) steps of
# great ancestors. It is not automatically recursive across any depth of
# pedigree. That depth works for current test pedigree (IITA 2021).
# Must name parent columns in ped "sireID" and "damID".
makeParentFolds<-function(ped,gid,nrepeats=5,nfolds=5,seed=NULL){
set.seed(seed)
parentfolds<-rsample::vfold_cv(tibble(Parents=union(ped$sireID,
ped$damID)),
v = nfolds,repeats = nrepeats) %>%
mutate(folds=map(splits,function(splits){
#splits<-parentfolds$splits[[1]]
testparents<-testing(splits)$Parents
trainparents<-training(splits)$Parents
ped<-ped %>%
rename(gid=!!sym(gid))
offspring<-ped %>%
filter(sireID %in% testparents | damID %in% testparents) %$%
unique(gid)
grandkids<-ped %>%
filter(sireID %in% offspring | damID %in% offspring) %$%
unique(gid)
greatX1grandkids<-ped %>%
filter(sireID %in% grandkids | damID %in% grandkids) %$%
unique(gid)
greatX2grandkids<-ped %>%
filter(sireID %in% greatX1grandkids |
damID %in% greatX1grandkids) %$%
unique(gid)
greatX3grandkids<-ped %>%
filter(sireID %in% greatX2grandkids |
damID %in% greatX2grandkids) %$%
unique(gid)
greatX4grandkids<-ped %>%
filter(sireID %in% greatX3grandkids |
damID %in% greatX3grandkids) %$%
unique(gid)
testset<-unique(c(offspring,
grandkids,
greatX1grandkids,
greatX2grandkids,
greatX3grandkids,
greatX4grandkids)) %>%
.[!. %in% c(testparents,trainparents)]
nontestdescendents<-ped %>%
filter(!gid %in% testset) %$%
unique(gid)
trainset<-union(testparents,trainparents) %>%
union(.,nontestdescendents)
out<-tibble(testparents=list(testparents),
trainset=list(trainset),
testset=list(testset))
return(out) })) %>%
unnest(folds) %>%
rename(Repeat=id,Fold=id2) %>%
select(-splits)
# Crosses To Predict
parentfolds %<>%
mutate(CrossesToPredict=map(testparents,
~filter(ped %>%
# only need a list of fams-to-predict
# not the progeny info
distinct(damID,sireID),
sireID %in% . | damID %in% .)))
return(parentfolds)
}
```
```{r run func and save}
parentfolds<-makeParentFolds(ped=ped,gid="GID",nrepeats=5,nfolds=5,seed=42)
saveRDS(parentfolds,file=here::here("output","parentfolds.rds"))
#parentfolds$CrossesToPredict[[1]]
parentfolds<-makeParentFolds(ped=ped,gid="GID",nrepeats=5,nfolds=5,seed=42)
parentfolds %>% head
```
## Get univariate REML marker effects
My goal is to simplify and integrate into the pipeline used for NextGen Cassava. In the paper, used multi-trait Bayesian ridge-regression (MtBRR) to obtain marker effects, and also stored posterior matrices on disk to later compute posterior mean variances. This was computationally expensive and different from my standard univariate REML approach. I think MtBRR and PMV are probably the least biased way to go... but...
For the sake of testing a simple integration into the in-use pipeline, I want to try univariate REML to get the marker effects, which I'll subsequently use for the cross-validation.
```{r getMarkEffs}
getMarkEffs<-function(parentfolds,blups,gid,modelType,grms,dosages,ncores){
traintestdata<-parentfolds %>%
dplyr::select(Repeat,Fold,trainset,testset) %>%
pivot_longer(c(trainset,testset),
names_to = "Dataset",
values_to = "sampleIDs")
# Internal function
## For each training or testing chunk of sampleIDs
## fit GBLUP model for each trait
## Backsolve SNP-effects from GBLUP
fitModel<-function(blups,sampleIDs,modelType,grms){
require(predCrossVar)
A<-grms[["A"]]
if(modelType %in% c("AD")){ D<-grms[["D"]] }
# debug fitModel()
# sampleIDs<-traintestdata$sampleIDs[[1]]
out<-blups %>%
#slice(1:2) %>% # debug (just 2 traits)
dplyr::mutate(trainingdata=map(blups,function(blups){
trainingdata<-blups %>%
rename(gid=!!sym(gid)) %>%
filter(gid %in% sampleIDs)
trainingdata[[paste0(gid,"a")]]<-factor(trainingdata[["gid"]],
levels=rownames(A))
if(modelType %in% c("AD")){
trainingdata[[paste0(gid,"d")]]<-trainingdata[[paste0(gid,"a")]]
# factor(trainingdata[["gid"]],
# levels=rownames(D))
}
return(trainingdata) })) %>%
dplyr::select(-blups)
# Set-up random model statements
randFormula<-paste0("~vs(",gid,"a,Gu=A)")
if(modelType %in% c("AD")){
randFormula<-paste0(randFormula,"+vs(",gid,"d,Gu=D)")
}
# Fit model across each trait
out<-out %>%
mutate(modelOut=map(trainingdata,function(trainingdata){
# Fit genomic prediction model
require(sommer)
fit <- mmer(fixed = drgBLUP ~1,
random = as.formula(randFormula),
weights = WT,
data=trainingdata)
# Gather the GBLUPs
gblups<-tibble(GID=as.character(names(fit$U[[paste0("u:",gid,"a")]]$drgBLUP)),
GEBV=as.numeric(fit$U[[paste0("u:",gid,"a")]]$drgBLUP))
if(modelType %in% c("AD")){
gblups %<>%
mutate(GEDD=as.numeric(fit$U[[paste0("u:",gid,"d")]]$drgBLUP))
}
# Calc GETGVs
## Note that for modelType=="A", GEBV==GETGV
gblups %<>%
mutate(GETGV=rowSums(.[,grepl("GE",colnames(.))]))
# Backsolve SNP effects
ga<-as.matrix(fit$U[[paste0("u:",gid,"a")]]$drgBLUP,ncol=1)
addsnpeff<-backsolveSNPeff(Z=centerDosage(dosages),g=ga)
if(modelType %in% c("AD")){
gd<-as.matrix(fit$U[[paste0("u:",gid,"d")]]$drgBLUP,ncol=1)
domsnpeff<-backsolveSNPeff(Z=dose2domDev(dosages),g=gd)
}
# Extract variance components
varcomps<-summary(fit)$varcomp
results<-tibble(gblups=list(gblups),
varcomps=list(varcomps),
addsnpeff=list(addsnpeff))
if(modelType %in% c("AD")){
results %<>%
mutate(domsnpeff=list(domsnpeff)) }
# return results
return(results)
}))
return(out)
}
require(furrr); options(mc.cores=ncores); plan(multicore)
options(future.globals.maxSize=10000*1024^2)
traintestdata<-traintestdata %>%
#slice(1:2) %>% # debug just 2 chunks
mutate(effects=future_map(sampleIDs,~fitModel(sampleIDs=.,
blups=blups,grms=grms,
modelType=modelType)),
modelType=modelType)
return(traintestdata)
}
```
```{r inputs for getMarkEffs}
require(tidyverse); require(magrittr); require(rsample); library(sommer)
parentfolds<-readRDS(file=here::here("output","parentfolds.rds"))
blups<-readRDS(file=here::here("data","blups_forCrossVal.rds")) %>%
dplyr::select(-varcomp)
A<-readRDS(file=here::here("output","kinship_A_IITA_2021May13.rds"))
dosages<-readRDS(file=here::here("data",
"dosages_IITA_filtered_2021May13.rds"))
```
```{r test run}
# D<-readRDS(file=here::here("output","kinship_D_IITA_2021May13.rds"))
# gid="GID"
# grms<-list(A=A,D=D)
# modelType<-"AD"
# # debug fitModel()
# sampleIDs<-traintestdata$sampleIDs[[1]]
# # Fit model across each trait
# trainingdata<-out$trainingdata[[1]]
# # markEffsTest<-getMarkEffs(parentfolds,blups,gid,A,dosages,ncores=2)
# # saveRDS(markEffsTest,here::here("output","markEffsTest.rds"))
```
```{r run models A and AD}
# cbsulm15
markEffsA<-getMarkEffs(parentfolds,blups,gid="GID",
modelType="A",grms=list(A=A),dosages,ncores=2)
saveRDS(markEffsA,here::here("output","markerEffectsA.rds"))
# cbsulm31
D<-readRDS(file=here::here("output","kinship_D_IITA_2021May13.rds"))
markEffsAD<-getMarkEffs(parentfolds,blups,gid="GID",
modelType="AD",grms=list(A=A,D=D),dosages,ncores=2)
saveRDS(markEffsAD,here::here("output","markerEffectsAD.rds"))
```
## Predict cross variances and covariances
```{bash}
cd /home/jj332_cas/marnin/implementGMSinCassava/;
export OMP_NUM_THREADS=5 # <-- for a 112 core machine. Use ncores=20 below
screen;
R # initiate R session
```
Revised the functions in the **predCrossVar** package to increase their computational efficiency. Not yet included into the actual R package but instead sourced from `code/predCrossVar.R`. Additional speed increases were achieved by extra testing to optimize balance of `OMP_NUM_THREADS` setting (multi-core BLAS) and parallel processing of the crosses-being-predicted.
```{r inputs for predictCrossVars}
require(tidyverse); require(magrittr);
parentfolds<-readRDS(file=here::here("output","parentfolds.rds"))
parents<-parentfolds %>%
select(Repeat,Fold,CrossesToPredict) %>%
unnest(CrossesToPredict) %>%
distinct(sireID,damID) %$%
union(sireID,damID)
# Recomb frequency matrix
recombFreqMat<-readRDS(file=here::here("data",
"recombFreqMat_1minus2c_2021May13.rds"))
# Haplotype Matrix
haploMat<-readRDS(file=here::here("data","haps_IITA_filtered_2021May13.rds"))
## keep only haplos for parents-to-be-predicted, saves memory
parenthaps<-sort(c(paste0(parents,"_HapA"),
paste0(parents,"_HapB")))
haploMat<-haploMat[parenthaps,colnames(recombFreqMat)];
# Source predictCrossVar predCrossVar function
source(here::here("code","predCrossVar.R"))
source(here::here("code","parentWiseCrossVal.R"))
```
```{r run model A}
# cbsulm29
markEffsA<-readRDS(here::here("output","markerEffectsA.rds"))
starttime<-proc.time()[3]
crossValPredsA<-predictCrossVars(modelType="A",ncores=20,
snpeffs=markEffsA,parentfolds=parentfolds,
haploMat=haploMat,recombFreqMat=recombFreqMat)
crossValPredsA<-crossValPredsA %>% select(-AddEffectList,-CrossesToPredict)
saveRDS(crossValPredsA,here::here("output","crossValPredsA.rds"))
timeelapsed<-proc.time()[3] - starttime;
print(paste0("Elapsed: ",timeelapsed/60/60," hrs"))
# [1] "Elapsed: 6.60880583333333 hrs"
```
```{r run model AD}
# cbsulm29
markEffsAD<-readRDS(here::here("output","markerEffectsAD.rds"))
starttime<-proc.time()
crossValPredsAD<-predictCrossVars(modelType="AD",ncores=20,
snpeffs=markEffsAD,parentfolds=parentfolds,
haploMat=haploMat,recombFreqMat=recombFreqMat)
crossValPredsAD<-crossValPredsAD %>% select(-AddEffectList,-DomEffectList,-CrossesToPredict)
saveRDS(crossValPredsAD,here::here("output","crossValPredsAD.rds"))
timeelapsed<-proc.time()[3] - starttime;
print(paste0("Elapsed: ",timeelapsed/60/60," hrs"))
# didn't record time... 12-14 hours max.
```
## Predict cross means
```{r inputs for predictCrossMeans}
require(tidyverse); require(magrittr);
parentfolds<-readRDS(file=here::here("output","parentfolds.rds"))
parents<-parentfolds %>%
select(Repeat,Fold,CrossesToPredict) %>%
unnest(CrossesToPredict) %>%
distinct(sireID,damID) %$%
union(sireID,damID)
# Haplotype Matrix
doseMat<-readRDS(file=here::here("data","dosages_IITA_filtered_2021May13.rds"))
## keep only haplos for parents-to-be-predicted, saves memory
doseMat<-doseMat[parents,];
# # Source predictCrossVar predCrossVar function
source(here::here("code","predCrossVar.R"))
source(here::here("code","parentWiseCrossVal.R"))
```
```{r run predictCrossMeans}
markEffsA<-readRDS(here::here("output","markerEffectsA.rds"))
markEffsAD<-readRDS(here::here("output","markerEffectsAD.rds"))
cvPredMeansA<-predictCrossMeans(modelType="A",snpeffs=markEffsA,ncores=11,
parentfolds=parentfolds,doseMat=doseMat)
saveRDS(cvPredMeansA,here::here("output","cvPredMeansA.rds"))
cvPredMeansAD<-predictCrossMeans(modelType="AD",snpeffs=markEffsAD,ncores=11,
parentfolds=parentfolds,doseMat=doseMat)
saveRDS(cvPredMeansAD,here::here("output","cvPredMeansAD.rds"))
```
## Compute prediction accuracies - v1
```{r inputs for computeAccuracy}
require(tidyverse); require(magrittr);
crossVarPreds<-readRDS(here::here("output","crossValPredsA.rds")) %>%
bind_rows(readRDS(here::here("output","crossValPredsAD.rds")))
markEffs<-readRDS(here::here("output","markerEffectsA.rds")) %>%
bind_rows(readRDS(here::here("output","markerEffectsAD.rds")))
ped<-read.table(here::here("output","verified_ped.txt"),
header = T, stringsAsFactors = F) %>%
rename(GID=FullSampleName,
damID=DamID,
sireID=SireID)
crossVarPreds %>% filter(modelType=="AD") %>% unnest(predVars) %>% unnest(predVars)
# source(here::here("code","parentWiseCrossVal.R"))
```
```{r computeAccuracy - v1}
# computeAccuracy<-function(crossValPreds,markEffs,ped){}
# Extract and format the GBLUPs from the marker effects object
retrieve_testset_gblups<-function(markEffs){
out<-markEffs %>%
filter(Dataset=="testset") %>%
mutate(testset_gblups=map(effects,
function(effects){
gblups<-effects %>%
mutate(gblups=map(modelOut,
~select(.,gblups) %>%
unnest())) %>%
select(-trainingdata,-modelOut)
return(gblups)})) %>%
select(Repeat,Fold,modelType,testset_gblups)
return(out) }
gblups<-retrieve_testset_gblups(markEffs)
# Use the crossValPred object and the pedigree
# Create a list of the actual members of each family that was predicted
# in each repeat-fold-modelType
# Join the GBLUPs for each family member for computing
# cross sample means, variances, covariances
getObsCrossMeansAndVars<-function(crossValPreds,markEffs,ped){
out<-crossVarPreds %>%
unnest(predVars) %>%
select(Repeat,Fold,modelType,sireID,damID) %>%
left_join(ped) %>%
nest(CrossesToPredict=c(sireID,damID,GID)) %>%
left_join(gblups) %>%
# per rep-fold
mutate(validationData=pmap(.,function(CrossesToPredict,
testset_gblups,
modelType,...){
# CrossesToPredict<-x$CrossesToPredict[[1]];
# testset_gblups<-x$testset_gblups[[1]];
# modelType<-x$modelType[[1]];
CrossesToPredict %<>%
left_join(testset_gblups %>%
unnest(gblups)) %>%
pivot_longer(cols = c(GEBV,GETGV),
names_to = "predOf",
values_to = "GBLUP")
if(modelType=="A"){ CrossesToPredict %<>% filter(predOf=="GEBV") }
CrossesToPredict %<>%
nest(famgblups=c(GID,Trait,GBLUP))
CrossesToPredict %<>%
mutate(famgblups=map(famgblups,function(famgblups){
#famgblups<-CrossesToPredict$famgblups[[1]]
gblupmat<-famgblups %>%
pivot_wider(names_from = "Trait", values_from = "GBLUP") %>%
column_to_rownames(var="GID")
## Make a list of pairwise var-covar to compute
## that matches predCrossVar output
traits<-colnames(gblupmat)
varcovars<-tibble::tibble(Trait1=traits,
Trait2=traits)
if(length(traits)>1){
## Add covariances to-be-predicted
varcovars<-dplyr::bind_rows(varcovars, # trait variances
combn(traits,2,simplify = T) %>% # covariances
t(.) %>% #
`colnames<-`(.,c("Trait1","Trait2")) %>%
tibble::as_tibble(.)) }
## Sample covariance of GBLUPs
covMat<-cov(gblupmat)
## Matrix to long-form pairwise
## subset to on the diagonal and off-diagonal
## in order to match predCrossVar output
pairwise_covs<-covMat %>%
as.data.frame(.) %>%
rownames_to_column(var = "Trait1") %>%
pivot_longer(cols = c(-Trait1),
names_to = "Trait2",
values_to = "obsVar") %>%
semi_join(varcovars)
## Cross sample means for each trait
cross_means<-colMeans(gblupmat) %>%
data.frame(obsMean=.) %>%
rownames_to_column(var="Trait") %>%
as_tibble
## Tidy output
out<-tibble(obsVars=list(pairwise_covs),
obsMeans=list(cross_means),
obsFamSize=nrow(gblupmat))
return(out)
})) %>%
unnest(famgblups)
return(CrossesToPredict) }))
return(out) }
obsCrossMeansAndVars<-getObsCrossMeansAndVars(crossValPreds,markEffs,ped)
saveRDS(obsCrossMeansAndVars,here::here("output","obsCrossMeansAndVars.rds"))
```
## Compute variance prediction accuracies - v2
```{r inputs}
require(tidyverse); require(magrittr);
cvPredVarsA<-readRDS(here::here("output","crossValPredsA.rds"))
#cvPredVarsAD<-readRDS(here::here("output","crossValPredsAD.rds"))
markEffsA<-readRDS(here::here("output","markerEffectsA.rds"))
#markEffsAD<-readRDS(here::here("output","markerEffectsAD.rds"))
ped<-read.table(here::here("output","verified_ped.txt"),
header = T, stringsAsFactors = F) %>%
rename(GID=FullSampleName,
damID=DamID,
sireID=SireID)
# source(here::here("code","parentWiseCrossVal.R"))
```
```{r computeVarPredAccuracy - v2}
# computeAccuracy<-function(crossValOut,markEffs,ped,model){}
# Extract and format the GBLUPs from the marker effects object
retrieve_testset_gblups<-function(markEffs){
out<-markEffs %>%
filter(Dataset=="testset") %>%
mutate(testset_gblups=map(effects,
function(effects){
gblups<-effects %>%
mutate(gblups=map(modelOut,
~select(.,gblups) %>%
unnest())) %>%
select(-trainingdata,-modelOut)
return(gblups)})) %>%
select(Repeat,Fold,modelType,testset_gblups)
return(out) }
gblups<-retrieve_testset_gblups(markEffs)
# Use the crossValPred object and the pedigree
# Create a list of the actual members of each family that was predicted
# in each repeat-fold-modelType
# Join the GBLUPs for each family member for computing
# cross sample means, variances, covariances
getObsCrossMeansAndVars<-function(crossValPreds,markEffs,ped){
out<-crossVarPreds %>%
unnest(predVars) %>%
select(Repeat,Fold,modelType,sireID,damID) %>%
left_join(ped) %>%
nest(CrossesToPredict=c(sireID,damID,GID)) %>%
left_join(gblups) %>%
# per rep-fold
mutate(validationData=pmap(.,function(CrossesToPredict,
testset_gblups,
modelType,...){
# CrossesToPredict<-x$CrossesToPredict[[1]];
# testset_gblups<-x$testset_gblups[[1]];
# modelType<-x$modelType[[1]];
CrossesToPredict %<>%
left_join(testset_gblups %>%
unnest(gblups)) %>%
pivot_longer(cols = c(GEBV,GETGV),
names_to = "predOf",
values_to = "GBLUP")
if(modelType=="A"){ CrossesToPredict %<>% filter(predOf=="GEBV") }
CrossesToPredict %<>%
nest(famgblups=c(GID,Trait,GBLUP))
CrossesToPredict %<>%
mutate(famgblups=map(famgblups,function(famgblups){
#famgblups<-CrossesToPredict$famgblups[[1]]
gblupmat<-famgblups %>%
pivot_wider(names_from = "Trait", values_from = "GBLUP") %>%
column_to_rownames(var="GID")
## Make a list of pairwise var-covar to compute
## that matches predCrossVar output
traits<-colnames(gblupmat)
varcovars<-tibble::tibble(Trait1=traits,
Trait2=traits)
if(length(traits)>1){
## Add covariances to-be-predicted
varcovars<-dplyr::bind_rows(varcovars, # trait variances
combn(traits,2,simplify = T) %>% # covariances
t(.) %>% #
`colnames<-`(.,c("Trait1","Trait2")) %>%
tibble::as_tibble(.)) }
## Sample covariance of GBLUPs
covMat<-cov(gblupmat)
## Matrix to long-form pairwise
## subset to on the diagonal and off-diagonal
## in order to match predCrossVar output
pairwise_covs<-covMat %>%
as.data.frame(.) %>%
rownames_to_column(var = "Trait1") %>%
pivot_longer(cols = c(-Trait1),
names_to = "Trait2",
values_to = "obsVar") %>%
semi_join(varcovars)
## Cross sample means for each trait
cross_means<-colMeans(gblupmat) %>%
data.frame(obsMean=.) %>%
rownames_to_column(var="Trait") %>%
as_tibble
## Tidy output
out<-tibble(obsVars=list(pairwise_covs),
obsMeans=list(cross_means),
obsFamSize=nrow(gblupmat))
return(out)
})) %>%
unnest(famgblups)
return(CrossesToPredict) }))
return(out) }
obsCrossMeansAndVars<-getObsCrossMeansAndVars(crossValPreds,markEffs,ped)
saveRDS(obsCrossMeansAndVars,here::here("output","obsCrossMeansAndVars.rds"))
```
# Results
See [Results](05-Results.html): Home for plots and summary tables.
# Next step
4. [Genomic prediction](04-GetGBLUPs.html): Predict *genomic* BLUPs (GEBV and GETGV) for all selection candidates using all available data.