Last updated: 2026-04-02
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Integrating-nir-genomic-kernel/
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Note that any generated files, e.g. HTML, png, CSS, etc., are not included in this status report because it is ok for generated content to have uncommitted changes.
These are the previous versions of the repository in which changes were
made to the R Markdown (analysis/matrizes_pt.Rmd) and HTML
(docs/matrizes_pt.html) files. If you’ve configured a
remote Git repository (see ?wflow_git_remote), click on the
hyperlinks in the table below to view the files as they were in that
past version.
| File | Version | Author | Date | Message |
|---|---|---|---|---|
| Rmd | 9d11ebc | WevertonGomesCosta | 2026-04-02 | update |
| html | d54afd7 | WevertonGomesCosta | 2026-04-01 | update |
| Rmd | 00ef3ef | WevertonGomesCosta | 2026-04-01 | update |
| html | 00ef3ef | WevertonGomesCosta | 2026-04-01 | update |
| Rmd | 1915912 | WevertonGomesCosta | 2026-03-31 | update |
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| html | 74c0c6f | WevertonGomesCosta | 2026-03-31 | update htmls |
| html | b366d30 | WevertonGomesCosta | 2026-03-30 | update |
| Rmd | de11f3e | WevertonGomesCosta | 2026-03-30 | update |
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Language / Idioma: English | Português
Este chunk define as opções de renderização do documento para que código, mensagens e figuras sigam um padrão visual único.
Este tutorial documenta como o projeto constrói os kernels centrais usados nas análises de predição genômica. O objetivo não é simplesmente ler arquivos e calcular matrizes. O objetivo é transformar fontes heterogêneas de informação em objetos científicos alinhados que possam ser usados em modelos de predição multiambientes.
O script integra quatro camadas de dados:
Pheno):
produtividade de grãos (GY) e peso de grãos
(KW) por genótipo e ambiente.Geno): SNPs
processados em formato numérico.NIR): medições
fenômicas usadas para construir um kernel de similaridade
espectral.W):
descritores meteorológicos gerados no tutorial climático.As saídas finais desta etapa são as matrizes usadas depois nos modelos de predição:
ZG, ZP,
ZEZE, ZWZGZE,
ZPZE, ZGZW, ZPZWGGK,
PGK, GGKE, PGKE,
GGKW, PGKWGAK,
PAK, GAKE, PAKE,
GAKW, PAKWNo conjunto reduzido final de 18 modelos, o kernel climático
(ZW) e seus termos de interação são usados principalmente
nos modelos M10-M18. Os modelos iniciais
(M01-M09) usam o efeito categórico de ambiente
(E) em conjunto com kernels genômicos e/ou fenômicos, mas
não incluem o kernel climático.
Um objetivo prático central deste tutorial é garantir que todas as matrizes sejam construídas na mesma ordem de observações. Se os kernels não estiverem perfeitamente alinhados, as análises preditivas posteriores se tornam inválidas.
Entradas desta etapa - dados fenotípicos, genômicos
e fenômicos - covariáveis derivadas do clima produzidas por
climate_data.Rmd
Saídas desta etapa - objetos observacionais alinhados - estruturas de desenho ambiental e climático - kernels lineares e não lineares - kernels de interação usados nas etapas seguintes
Próxima etapa - os objetos gerados aqui são
consumidos diretamente por variance_components_pt.Rmd e
analysis_prediction_pt.Rmd.
Primeiro carregamos os pacotes necessários para manipulação de dados, construção de kernels, visualização e gerenciamento de memória.
tidyverse: organização dos dados e gráficos.data.table: leitura rápida de arquivos grandes.BGLR: estrutura Bayesiana de predição genômica usada
depois.parallel e doParallel: suporte para
tarefas computacionalmente intensivas.MASS: utilidades estatísticas adicionais.patchwork: composição de figuras em múltiplos painéis
para gráficos diagnósticos.Este chunk carrega os pacotes necessários para construção de matrizes, manipulação de dados, cálculo de kernels, otimização e visualização.
suppressPackageStartupMessages({
library(tidyverse)
library(data.table)
library(BGLR)
library(parallel)
library(doParallel)
library(MASS)
library(gridExtra)
library(grid)
library(patchwork)
})
dir.create("output/Matrizes", recursive = TRUE, showWarnings = FALSE)
dir.create("output/Matrizes/figures", recursive = TRUE, showWarnings = FALSE)
Neste tutorial, evitamos pequenos helpers de conveniência para gráficos e checagens de matrizes. Em vez disso, o código é escrito de forma mais explícita e linear. Isso torna o script mais longo, mas também torna cada operação mais fácil de acompanhar para leitores que ainda estão aprendendo R e fluxos de modelagem baseados em matrizes.
As únicas funções mantidas mais adiante no script são as funções matemáticas estritamente necessárias para estimar os kernels Gaussianos e arc-cosine. Essas funções fazem parte do próprio procedimento de modelagem, e não apenas de atalhos de programação.
Esta seção lê as entradas brutas usadas no pipeline de construção dos kernels. Neste estágio, o objetivo é apenas importar os dados e inspecionar a estrutura básica de cada fonte.
O arquivo NIR.csv contém identificadores, ambientes,
caracteres fenotípicos e as bandas espectrais usadas depois para
construir o kernel fenômico.
Este chunk lê os dados NIR e prepara a entrada fenômica que depois será alinhada aos registros fenotípicos e genômicos.
NIR <- fread("data/NIR.csv") %>% as.data.frame()
head(NIR[, 1:7])
unique(NIR$Env)
O arquivo genotípico contém uma linha por genótipo e uma coluna por
marcador. A primeira coluna (taxa) é o identificador do
genótipo usado para alinhar a informação genômica e fenotípica.
Este chunk lê os dados de marcadores genômicos que formam a base dos kernels genômicos usados no pipeline.
Geno <- fread("data/GAPIT.Genotype.Numerical.txt") %>% as.data.frame()
head(Geno[, 1:5])
Os scripts de modelagem posteriores exigem uma tabela fenotípica limpa contendo apenas os identificadores e os caracteres-alvo. Extraímos essas colunas diretamente do arquivo NIR para garantir que a tabela fenotípica permaneça sincronizada com os registros espectrais em nível de observação.
Também criamos um identificador de observação
(ObsID) combinando ambiente e genótipo. Isso é útil porque
o mesmo genótipo pode aparecer em mais de um ambiente, e rótulos únicos
de observação melhoram muito a rastreabilidade e as checagens de
alinhamento.
Este chunk monta a tabela fenotípica que funciona como espinha dorsal, em nível de observação, para as matrizes alinhadas.
Pheno <- NIR %>%
dplyr::select(Pedigree, Env, GY, KW) %>%
arrange(Env, Pedigree) %>%
mutate(ObsID = paste(Env, Pedigree, sep = "__"))
head(Pheno)
Esta é uma etapa crítica de validação. O arquivo genômico e o arquivo NIR/fenotípico devem se referir aos mesmos genótipos. Se os IDs não forem harmonizados antes da construção das matrizes, todo kernel posterior ficará desalinhado.
Este chunk harmoniza os identificadores de genótipo entre as diferentes fontes para garantir que as mesmas unidades sejam comparadas corretamente.
Pedigree <- intersect(Geno$taxa, NIR$Pedigree)
NIR <- NIR[NIR$Pedigree %in% Pedigree, ] %>%
arrange(Env, Pedigree) %>%
mutate(ObsID = paste(Env, Pedigree, sep = "__"))
Geno <- Geno[Geno$taxa %in% Pedigree, ] %>%
arrange(taxa)
Pheno <- Pheno[Pheno$Pedigree %in% Pedigree, ] %>%
arrange(Env, Pedigree) %>%
mutate(ObsID = paste(Env, Pedigree, sep = "__"))
cat("Shared genotypes in NIR :", length(unique(NIR$Pedigree)), "\n")
cat("Shared genotypes in Geno:", nrow(Geno), "\n")
cat("Shared genotypes in Pheno:", length(unique(Pheno$Pedigree)), "\n")
O estudo possui quatro ambientes:
CS11_WSCS11_WWCS12_WSCS12_WWA construção dos kernels usa depois blocos específicos por ambiente. Por isso, separamos as observações NIR em quatro data frames específicos de ambiente preservando os identificadores de observação.
Este chunk organiza os dados harmonizados por ambiente, preparando as verificações posteriores de balanceamento, sobreposição e construção dos kernels.
a <- NIR %>% filter(Env == "CS11_WS") %>% arrange(Pedigree)
b <- NIR %>% filter(Env == "CS11_WW") %>% arrange(Pedigree)
c <- NIR %>% filter(Env == "CS12_WS") %>% arrange(Pedigree)
d <- NIR %>% filter(Env == "CS12_WW") %>% arrange(Pedigree)
rownames(a) <- a$ObsID
rownames(b) <- b$ObsID
rownames(c) <- c$ObsID
rownames(d) <- d$ObsID
Este objeto é informativo para checagens de dados balanceados e para interpretar a sobreposição entre ensaios.
Este chunk identifica os genótipos compartilhados entre ambientes, passo importante para a estabilidade do alinhamento entre ambientes.
Pedigree_communs <- Reduce(
intersect,
list(Geno$taxa, a$Pedigree, b$Pedigree, c$Pedigree, d$Pedigree)
)
length(Pedigree_communs)
ZG)O kernel genômico mede a similaridade entre observações com base nos marcadores SNP.
O pipeline legado usado neste projeto padroniza os valores dos marcadores dentro de cada bloco de observações específico de ambiente antes de empilhar os dados. Embora essa não seja a única estratégia possível, nós a preservamos aqui para manter compatibilidade com as análises posteriores já desenvolvidas para o artigo.
As etapas práticas são:
Este chunk constrói o kernel genômico linear que representa a relação genômica básica entre as observações.
Geno <- Geno[order(Geno$taxa), ]
rownames(Geno) <- Geno$taxa
Geno <- Geno[, -1, drop = FALSE]
Geno.a <- scale(Geno[a$Pedigree, , drop = FALSE], center = TRUE, scale = TRUE)
Geno.b <- scale(Geno[b$Pedigree, , drop = FALSE], center = TRUE, scale = TRUE)
Geno.c <- scale(Geno[c$Pedigree, , drop = FALSE], center = TRUE, scale = TRUE)
Geno.d <- scale(Geno[d$Pedigree, , drop = FALSE], center = TRUE, scale = TRUE)
rownames(Geno.a) <- a$ObsID
rownames(Geno.b) <- b$ObsID
rownames(Geno.c) <- c$ObsID
rownames(Geno.d) <- d$ObsID
Geno.all <- rbind(Geno.a, Geno.b, Geno.c, Geno.d)
ZG <- tcrossprod(as.matrix(Geno.all)) / ncol(Geno.all)
rownames(ZG) <- rownames(Geno.all)
colnames(ZG) <- rownames(Geno.all)
dim(ZG)
ZG[1:5, 1:5]
ZP)O kernel fenômico usa as bandas espectrais NIR. A mesma lógica em blocos é usada aqui para manter a ordem das observações sincronizada com os kernels genômico, categórico de ambiente e climático.
Esse kernel é útil porque resume a similaridade espectral entre observações. Ao mesmo tempo, deve ser interpretado com cautela. Os espectros NIR podem refletir respostas fisiológicas fortes às condições de campo, de modo que o kernel fenômico pode capturar parte do sinal ambiental além de informação relacionada ao genótipo.
Este chunk constrói o kernel fenômico linear a partir dos dados NIR para compará-lo às estruturas genômicas e climáticas.
# Identify spectral variables defensively: keep only numeric columns and remove
# metadata/trait columns that should not enter the phenomic kernel.
metadata_cols <- c("Pedigree", "Env", "GY", "KW", "ObsID")
nir_feature_cols <- setdiff(colnames(NIR), metadata_cols)
nir_feature_cols <- nir_feature_cols[
vapply(NIR[, nir_feature_cols, drop = FALSE], is.numeric, logical(1))
]
if (length(nir_feature_cols) == 0) {
stop("No numeric NIR feature columns were found after filtering metadata columns.")
}
excluded_non_numeric <- setdiff(setdiff(colnames(NIR), metadata_cols), nir_feature_cols)
cat("Number of NIR feature columns used in ZP:", length(nir_feature_cols), "\n")
if (length(excluded_non_numeric) > 0) {
cat("Excluded non-numeric columns:", paste(excluded_non_numeric, collapse = ", "), "\n")
}
NIR.a <- scale(as.matrix(a[, nir_feature_cols, drop = FALSE]), center = TRUE, scale = TRUE)
NIR.b <- scale(as.matrix(b[, nir_feature_cols, drop = FALSE]), center = TRUE, scale = TRUE)
NIR.c <- scale(as.matrix(c[, nir_feature_cols, drop = FALSE]), center = TRUE, scale = TRUE)
NIR.d <- scale(as.matrix(d[, nir_feature_cols, drop = FALSE]), center = TRUE, scale = TRUE)
rownames(NIR.a) <- a$ObsID
rownames(NIR.b) <- b$ObsID
rownames(NIR.c) <- c$ObsID
rownames(NIR.d) <- d$ObsID
NIR.all <- rbind(NIR.a, NIR.b, NIR.c, NIR.d)
ZP <- tcrossprod(NIR.all) / ncol(NIR.all)
rownames(ZP) <- rownames(NIR.all)
colnames(ZP) <- rownames(NIR.all)
dim(ZP)
ZP[1:5, 1:5]
A representação ambiental mais simples trata cada ambiente como um
fator categórico. Primeiro construímos a matriz de incidência
ZE, depois a convertemos em um kernel (ZEZE)
por meio do produto cruzado.
Esse kernel atribui similaridade ambiental completa a observações do
mesmo ambiente e similaridade zero a observações de ambientes
diferentes. Nos modelos finais, ZEZE representa o
efeito categórico de ambiente. Ele não é o mesmo que o
kernel climático. Em termos práticos, ZEZE mantém a
distinção entre os quatro macroambientes, enquanto ZW
descreve depois a similaridade entre observações com base em covariáveis
meteorológicas.
Este chunk constrói a matriz categórica de ambiente, separando explicitamente o efeito macroambiental da informação derivada do clima.
Pheno <- Pheno %>% arrange(match(ObsID, rownames(ZG)))
ZE <- model.matrix(~ as.factor(Pheno$Env) - 1)
rownames(ZE) <- Pheno$ObsID
colnames(ZE) <- gsub("^as.factor\\(Pheno\\$Env\\)", "", colnames(ZE))
ZEZE <- tcrossprod(ZE)
rownames(ZEZE) <- rownames(ZE)
colnames(ZEZE) <- rownames(ZE)
cat("Dimensions of ZE :", dim(ZE), "\n")
cat("Dimensions of ZEZE :", dim(ZEZE), "\n")
ZEZE[1:5, 1:5]
ZW)O kernel climático usa as saídas climáticas criadas no tutorial
climate_data. O fluxo climático atualizado exporta dois
arquivos:
environmental_covariates.csv: uma linha por ano com
resumos climáticos agregados.environmental_covariates_expanded.csv: registros
diários ligados a esses resumos anuais.Este script usa ambos os arquivos:
No pipeline reduzido final, ZW é usado principalmente
nos modelos M10-M18, junto com interações como
GW, PW, GGKW, PGKW,
GAKW e PAKW. O kernel climático deve,
portanto, ser interpretado como uma fonte adicional de similaridade
meteorológica. Ele não substitui o efeito categórico de
ambiente representado por ZEZE.
Este chunk lê as saídas climáticas produzidas pelo módulo anterior para que o kernel climático seja construído a partir de arquivos já salvos.
annual_ec_file <- "output/climate_results/environmental_covariates.csv"
expanded_ec_file <- "output/climate_results/environmental_covariates_expanded.csv"
if (!file.exists(annual_ec_file)) {
stop("The file 'output/climate_results/environmental_covariates.csv' was not found. Run climate_data.Rmd first.")
}
if (!file.exists(expanded_ec_file)) {
stop("The file 'output/climate_results/environmental_covariates_expanded.csv' was not found. Run climate_data.Rmd first.")
}
ECs_annual <- read.csv(annual_ec_file)
ECs_expanded <- read.csv(expanded_ec_file)
annual_cols <- c(
"TMAX_AVG", "TMIN_AVG", "GDD_CUM", "HEAT_STRESS_DAYS",
"PRECTOT", "DRY_DAYS", "RH_AVG", "WS2M_AVG", "RAD_CUM",
"T_AVG", "DTR_AVG", "COLD_STRESS_DAYS", "RAINY_DAYS",
"PREC_INTENSITY", "LOW_RH_DAYS", "VPD_AVG", "VPD_STRESS_DAYS"
)
# Keep only true daily weather variables. Exclude identifiers, date encodings,
# coordinate fields, and any annual summary columns that may also be present in
# the expanded file.
daily_id_cols <- c(
"year", "Year", "YEAR",
"date", "Date",
"YYYYMMDD", "MMDD", "DOY",
"month", "Month", "MM",
"day", "DD",
"LON", "LAT"
)
candidate_daily_cols <- setdiff(
colnames(ECs_expanded),
c(daily_id_cols, annual_cols)
)
daily_cols <- candidate_daily_cols[
vapply(ECs_expanded[, candidate_daily_cols, drop = FALSE], is.numeric, logical(1))
]
excluded_daily_cols <- setdiff(candidate_daily_cols, daily_cols)
if (length(daily_cols) == 0) {
stop("No numeric daily climate variables were found in environmental_covariates_expanded.csv.")
}
cat("Number of daily climate variables used in ZW:", length(daily_cols), "\n")
if (length(excluded_daily_cols) > 0) {
cat("Excluded non-climatic or non-numeric columns:", paste(excluded_daily_cols, collapse = ", "), "\n")
}
ECs_annual <- ECs_annual %>%
mutate(year = as.integer(year)) %>%
dplyr::select(year, all_of(annual_cols))
ECs_expanded <- ECs_expanded %>%
mutate(
year = as.integer(year),
date = as.character(date)
)
O objetivo desta etapa é colocar variáveis ambientais heterogêneas em escala comparável antes da construção do kernel.
Este chunk padroniza as covariáveis climáticas para colocar as variáveis meteorológicas em escala comparável antes da construção do kernel.
annual_scaled <- ECs_annual %>%
dplyr::select(all_of(annual_cols)) %>%
scale(center = TRUE, scale = TRUE) %>%
as.data.frame()
annual_scaled <- bind_cols(
year = ECs_annual$year,
annual_scaled
)
daily_scaled <- ECs_expanded %>%
dplyr::select(year, date, all_of(daily_cols)) %>%
group_by(year) %>%
mutate(across(all_of(daily_cols), ~ as.numeric(scale(.x, center = TRUE, scale = TRUE)))) %>%
ungroup()
Para cada ano, transformamos as trajetórias diárias de clima em uma única assinatura larga por linha. Isso dá a cada ano um vetor reprodutível que representa seu perfil climático intrassazonal.
Este chunk deriva as assinaturas climáticas por ano que resumem a informação padronizada e servem de base para o kernel climático.
daily_signature_2011 <- daily_scaled %>%
filter(year == 2011) %>%
dplyr::select(date, all_of(daily_cols)) %>%
pivot_longer(cols = -date, names_to = "variable", values_to = "value") %>%
mutate(signature_col = paste(variable, date, sep = "__")) %>%
dplyr::select(signature_col, value) %>%
pivot_wider(names_from = signature_col, values_from = value)
daily_signature_2012 <- daily_scaled %>%
filter(year == 2012) %>%
dplyr::select(date, all_of(daily_cols)) %>%
pivot_longer(cols = -date, names_to = "variable", values_to = "value") %>%
mutate(signature_col = paste(variable, date, sep = "__")) %>%
dplyr::select(signature_col, value) %>%
pivot_wider(names_from = signature_col, values_from = value)
annual_signature_2011 <- annual_scaled %>%
filter(year == 2011) %>%
dplyr::select(-year)
annual_signature_2012 <- annual_scaled %>%
filter(year == 2012) %>%
dplyr::select(-year)
Cada observação herda a assinatura climática do ano associado ao seu
ambiente. Os ambientes de 2011 recebem as assinaturas diárias e anuais
de 2011; os ambientes de 2012 recebem as assinaturas de 2012. Blocos
específicos de outro ano são preenchidos com NA e depois
substituídos por zero, para que a matriz final possa ser usada em um
produto cruzado.
Este chunk constrói o kernel climático W, que
complementa a estrutura categórica de ambiente em vez de
substituí-la.
ids_a <- a$ObsID
ids_b <- b$ObsID
ids_c <- c$ObsID
ids_d <- d$ObsID
# Environments from 2011 receive the 2011 daily and annual signatures.
ECs.a_main_daily <- as.data.frame(daily_signature_2011[rep(1, length(ids_a)), , drop = FALSE])
rownames(ECs.a_main_daily) <- ids_a
ECs.a_other_daily <- as.data.frame(
matrix(
NA_real_,
nrow = length(ids_a),
ncol = ncol(daily_signature_2012),
dimnames = list(ids_a, colnames(daily_signature_2012))
)
)
ECs.a_annual <- as.data.frame(annual_signature_2011[rep(1, length(ids_a)), , drop = FALSE])
rownames(ECs.a_annual) <- ids_a
ECs.a <- cbind(ECs.a_main_daily, ECs.a_other_daily, ECs.a_annual)
ECs.a <- as.data.frame(ECs.a)
rownames(ECs.a) <- ids_a
ECs.b_main_daily <- as.data.frame(daily_signature_2011[rep(1, length(ids_b)), , drop = FALSE])
rownames(ECs.b_main_daily) <- ids_b
ECs.b_other_daily <- as.data.frame(
matrix(
NA_real_,
nrow = length(ids_b),
ncol = ncol(daily_signature_2012),
dimnames = list(ids_b, colnames(daily_signature_2012))
)
)
ECs.b_annual <- as.data.frame(annual_signature_2011[rep(1, length(ids_b)), , drop = FALSE])
rownames(ECs.b_annual) <- ids_b
ECs.b <- cbind(ECs.b_main_daily, ECs.b_other_daily, ECs.b_annual)
ECs.b <- as.data.frame(ECs.b)
rownames(ECs.b) <- ids_b
# Environments from 2012 receive the 2012 daily and annual signatures.
ECs.c_main_daily <- as.data.frame(daily_signature_2012[rep(1, length(ids_c)), , drop = FALSE])
rownames(ECs.c_main_daily) <- ids_c
ECs.c_other_daily <- as.data.frame(
matrix(
NA_real_,
nrow = length(ids_c),
ncol = ncol(daily_signature_2011),
dimnames = list(ids_c, colnames(daily_signature_2011))
)
)
ECs.c_annual <- as.data.frame(annual_signature_2012[rep(1, length(ids_c)), , drop = FALSE])
rownames(ECs.c_annual) <- ids_c
ECs.c <- cbind(ECs.c_main_daily, ECs.c_other_daily, ECs.c_annual)
ECs.c <- as.data.frame(ECs.c)
rownames(ECs.c) <- ids_c
ECs.d_main_daily <- as.data.frame(daily_signature_2012[rep(1, length(ids_d)), , drop = FALSE])
rownames(ECs.d_main_daily) <- ids_d
ECs.d_other_daily <- as.data.frame(
matrix(
NA_real_,
nrow = length(ids_d),
ncol = ncol(daily_signature_2011),
dimnames = list(ids_d, colnames(daily_signature_2011))
)
)
ECs.d_annual <- as.data.frame(annual_signature_2012[rep(1, length(ids_d)), , drop = FALSE])
rownames(ECs.d_annual) <- ids_d
ECs.d <- cbind(ECs.d_main_daily, ECs.d_other_daily, ECs.d_annual)
ECs.d <- as.data.frame(ECs.d)
rownames(ECs.d) <- ids_d
W <- rbind(ECs.a, ECs.b, ECs.c, ECs.d)
W <- as.data.frame(W)
rownames(W) <- c(ids_a, ids_b, ids_c, ids_d)
W <- W[Pheno$ObsID, , drop = FALSE]
W[is.na(W)] <- 0
ZW <- tcrossprod(as.matrix(W)) / ncol(W)
rownames(ZW) <- rownames(W)
colnames(ZW) <- rownames(W)
print(paste("Rows in W :", nrow(W)))
print(paste("Rows in ZG:", nrow(ZG)))
print(paste("ZW and ZG aligned:", identical(rownames(ZW), rownames(ZG))))
print(paste("ZW and ZP aligned:", identical(rownames(ZW), rownames(ZP))))
Este chunk carrega silenciosamente as matrizes e kernels já produzidos pelo arquivo em inglês, evitando repetir a etapa pesada de construção.
Antes de construir interações e kernels não lineares, resumimos os principais kernels lineares. Essa tabela é útil tanto para controle de qualidade quanto para fins didáticos.
Este chunk resume os kernels lineares básicos para que o leitor confira dimensões, amplitudes e comportamento geral antes dos kernels não lineares.
reference_ids <- Pheno$ObsID
kernel_inventory_linear <- data.frame(
kernel = c("ZG (genomic)", "ZP (phenomic/NIR)", "ZEZE (categorical environment effect)", "ZW (weather kernel)"),
n_rows = c(nrow(ZG), nrow(ZP), nrow(ZEZE), nrow(ZW)),
n_cols = c(ncol(ZG), ncol(ZP), ncol(ZEZE), ncol(ZW)),
is_square = c(
nrow(ZG) == ncol(ZG),
nrow(ZP) == ncol(ZP),
nrow(ZEZE) == ncol(ZEZE),
nrow(ZW) == ncol(ZW)
),
symmetric_names = c(
identical(rownames(ZG), colnames(ZG)),
identical(rownames(ZP), colnames(ZP)),
identical(rownames(ZEZE), colnames(ZEZE)),
identical(rownames(ZW), colnames(ZW))
),
aligned_with_reference = c(
identical(rownames(ZG), reference_ids),
identical(rownames(ZP), reference_ids),
identical(rownames(ZEZE), reference_ids),
identical(rownames(ZW), reference_ids)
)
)
kernel_inventory_linear %>%
dplyr::mutate(
n_rows = format(n_rows, big.mark = ","),
n_cols = format(n_cols, big.mark = ",")
) %>%
knitr::kable(
caption = "Diagnostic summary of the main linear kernels.",
align = "lcccccc"
) %>%
kableExtra::kable_styling(
bootstrap_options = c("striped", "hover", "condensed", "responsive"),
full_width = FALSE,
position = "left"
) %>%
kableExtra::scroll_box(width = "100%", height = "260px")
| kernel | n_rows | n_cols | is_square | symmetric_names | aligned_with_reference |
|---|---|---|---|---|---|
| ZG (genomic) | 982 | 982 | TRUE | TRUE | TRUE |
| ZP (phenomic/NIR) | 982 | 982 | TRUE | TRUE | TRUE |
| ZEZE (categorical environment effect) | 982 | 982 | TRUE | TRUE | TRUE |
| ZW (weather kernel) | 982 | 982 | TRUE | TRUE | TRUE |
Inspecionamos o mesmo pedigree entre matrizes para verificar se a ordem empilhada das observações permanece coerente.
Este chunk realiza verificações pontuais em entradas selecionadas para confirmar que as matrizes alinhadas estão se comportando como esperado.
Geno.all[str_detect(rownames(Geno.all), "A188"), 1:5]
S1_517642 S1_1000282 S1_1763292 S1_1763397 S1_2088440
CS11_WS__A188 -0.3244447 -0.4954853 0.4389794 -0.5765720 -0.2468038
CS11_WW__A188 -0.3071575 -0.5046434 0.4309819 -0.5753945 -0.2647288
CS12_WS__A188 -0.3068291 -0.4844154 0.4318786 -0.5471143 -0.2895119
CS12_WW__A188 -0.3277855 -0.4725198 0.4256480 -0.5603790 -0.2964903
W[str_detect(rownames(W), "A188"), 1:5]
NIR.all[str_detect(rownames(NIR.all), "A188"), 1:5]
X3999.640137 X4001.568604 X4003.497071 X4005.425537 X4007.354004
CS11_WS__A188 -1.701604 -1.696844 -1.696844 -1.696283 -1.696195
CS11_WW__A188 -1.120197 -1.112012 -1.112012 -1.110283 -1.111711
CS12_WS__A188 -1.398754 -1.393058 -1.393058 -1.392220 -1.392757
CS12_WW__A188 -1.523355 -1.518600 -1.518600 -1.517747 -1.517932
Todas as checagens abaixo devem retornar TRUE.
Este chunk executa testes explícitos de alinhamento entre matrizes e metadados para detectar incompatibilidades antes dos kernels não lineares.
all(rownames(ZW) == colnames(ZW))
[1] TRUE
all(rownames(ZG) == colnames(ZG))
[1] TRUE
all(rownames(ZP) == colnames(ZP))
[1] TRUE
all(rownames(ZW) == rownames(ZG))
[1] TRUE
all(rownames(ZW) == rownames(ZP))
[1] TRUE
all(colnames(ZW) == colnames(ZG))
[1] TRUE
all(colnames(ZW) == colnames(ZP))
[1] TRUE
Adiamos as figuras diagnósticas finais até que os kernels Gaussianos e arc-cosine estejam disponíveis. Isso permite comparar as representações lineares e não lineares dentro dos espaços genômico e fenômico separadamente, o que é mais informativo para o artigo do que misturar matrizes climáticas e fenômicas em um único painel.
Mesmo que ZW não apareça no mapa de calor integrado, ele
continua sendo um objeto central no pipeline reduzido porque sustenta os
modelos enriquecidos com clima (M10-M18) e
seus termos de interação.
Os kernels de interação são obtidos pelo produto de Hadamard
(multiplicação elemento a elemento). Essa operação restringe a
similaridade genômica ou fenômica ao contexto ambiental representado por
ZEZE ou ZW.
Este chunk constrói os kernels lineares de interação que combinam informação genômica ou fenômica com ambiente e clima.
ZGZE <- ZG * ZEZE
ZPZE <- ZP * ZEZE
ZGZW <- ZG * ZW
ZPZW <- ZP * ZW
ZGZE[1:5, 1:5]
ZPZE[1:5, 1:5]
ZGZW[1:5, 1:5]
ZPZW[1:5, 1:5]
saveRDS(ZGZE, "output/Matrizes/ZGZE.rds")
saveRDS(ZPZE, "output/Matrizes/ZPZE.rds")
Os kernels lineares acima capturam similaridade aditiva. Para explorar relações não lineares, também construímos kernels Gaussianos para os espaços genômico e fenômico.
A função a seguir é mantida porque faz parte da própria estimação do kernel Gaussiano. Nós a usamos para otimizar o parâmetro de banda maximizando a verossimilhança marginal.
Este chunk define as funções matemáticas necessárias para construir e otimizar os kernels Gaussianos.
margh.fun <- function(theta, y, D, q, nu = 0.0001, Sc = 0.0001,
nuh = NULL, Sch = NULL, prior = NULL) {
h <- theta[1]
phi <- theta[2]
Kh <- exp(-h * D / q)
eigenKh <- eigen(Kh)
nr <- length(which(eigenKh$values > 1e-10))
Uh <- eigenKh$vectors[, 1:nr, drop = FALSE]
Sh <- eigenKh$values[1:nr]
d <- t(Uh) %*% scale(y, scale = FALSE)
lden <- -0.5 * sum(log(1 + phi * Sh)) -
(nu + nr - 1) / 2 * log(Sc + sum(d^2 / (1 + phi * Sh)))
if (!is.null(prior)) {
lprior <- dgamma(h, nuh, Sch, log = TRUE)
} else {
lprior <- 0
}
return(-(lden + lprior))
}
GGK)Primeiro calculamos distâncias genômicas entre genótipos únicos e depois as projetamos no espaço das observações.
Este chunk calcula os valores candidatos do kernel Gaussiano genômico antes da escolha final do parâmetro de largura.
DG <- (as.matrix(dist(Geno)))^2
q05G <- quantile(DG, 0.05)
IDs <- as.character(Pheno$Pedigree)
DG <- DG[rownames(DG) %in% IDs, rownames(DG) %in% IDs, drop = FALSE]
IDs <- factor(IDs, levels = rownames(DG))
Z <- as.matrix(model.matrix(~ IDs - 1))
rownames(Z) <- Pheno$ObsID
ZD <- tcrossprod(Z, DG)
DG_proj <- tcrossprod(ZD, Z)
rownames(DG_proj) <- Pheno$ObsID
colnames(DG_proj) <- Pheno$ObsID
Este chunk busca o parâmetro do kernel Gaussiano genômico que melhor atende ao comportamento desejado.
solG <- optim(
c(1, 1),
margh.fun,
y = Pheno$GY,
D = DG_proj,
q = q05G,
method = "L-BFGS-B",
lower = c(0.05, 0.05),
upper = c(6, 30)
)
Este chunk lê e inspeciona a solução escolhida para o kernel Gaussiano genômico antes da construção final do objeto.
Este chunk constrói o kernel Gaussiano genômico final usando o parâmetro selecionado.
hG <- solG$par[1]
GGK <- exp(-hG * DG_proj / q05G)
rownames(GGK) <- Pheno$ObsID
colnames(GGK) <- Pheno$ObsID
dim(GGK)
GGK[1:5, 1:5]
PGK)O kernel Gaussiano fenômico usa distâncias euclidianas derivadas da matriz NIR padronizada.
Como no kernel Gaussiano genômico, a etapa de otimização no pipeline atual usa GY como caráter de referência, e o kernel Gaussiano fenômico resultante é então reutilizado tanto para GY quanto para KW.
Este chunk calcula os valores candidatos do kernel Gaussiano fenômico antes da definição final da largura.
DP <- (as.matrix(dist(NIR.all)))^2
q05P <- quantile(DP, 0.05)
IDs <- rownames(NIR.all)
DP <- DP[rownames(DP) %in% IDs, rownames(DP) %in% IDs, drop = FALSE]
Z <- as.matrix(model.matrix(~ IDs - 1))
rownames(Z) <- IDs
Z0 <- tcrossprod(Z, Z)
ZD <- tcrossprod(Z0, DP)
DP_proj <- tcrossprod(ZD, Z0)
rownames(DP_proj) <- IDs
colnames(DP_proj) <- IDs
Este chunk busca o parâmetro do kernel Gaussiano fenômico usado na definição do objeto final.
solP <- optim(
c(1, 1),
margh.fun,
y = Pheno$GY,
D = DP_proj,
q = q05P,
method = "L-BFGS-B",
lower = c(0.05, 0.05),
upper = c(6, 30)
)
Este chunk lê e verifica a solução escolhida para o kernel Gaussiano fenômico antes da construção final.
Este chunk constrói o kernel Gaussiano fenômico final com a largura escolhida.
hP <- solP$par[1]
PGK <- exp(-hP * DP_proj / q05P)
rownames(PGK) <- rownames(NIR.all)
colnames(PGK) <- rownames(NIR.all)
dim(PGK)
PGK[1:5, 1:5]
Este chunk gera as estruturas de interação associadas aos kernels Gaussianos para combiná-las com ambiente e clima.
GGKE <- GGK * ZEZE
PGKE <- PGK * ZEZE
GGKW <- GGK * ZW
PGKW <- PGK * ZW
Os kernels arc-cosine oferecem uma segunda representação não linear. Eles são inspirados na geometria de redes neurais e podem capturar padrões hierárquicos não lineares por meio de transformações recursivas.
Neste tutorial mantemos explicitamente as funções matemáticas abaixo porque elas definem o próprio kernel arc-cosine. Mesmo escritas como funções, elas fazem parte do método, e não de atalhos de programação.
Este chunk define as funções matemáticas necessárias para construir os kernels arc-cosine.
AK1.fun <- function(X) {
cosalfa <- cor(t(X))
cosalfa[cosalfa > 1] <- 1
cosalfa[cosalfa < -1] <- -1
angulo <- acos(cosalfa)
mag <- sqrt(apply(X, 1, function(x) crossprod(x)))
sxy <- tcrossprod(mag)
AK1 <- (1 / pi) * sxy * (sin(angulo) + (pi - angulo) * cosalfa)
AK1 <- AK1 / median(AK1, na.rm = TRUE)
colnames(AK1) <- rownames(X)
rownames(AK1) <- rownames(X)
return(AK1)
}
marg.AK <- function(y, AK1, ml) {
lden.fun <- function(phi, nr, Uh, Sh, d) {
lden <- -0.5 * sum(log(1 + phi * Sh)) -
(nr - 1) / 2 * log(sum(d^2 / (1 + phi * Sh)))
return(-lden)
}
vero <- function(y, GC) {
Kh <- GC
eigenKh <- eigen(Kh)
nr <- length(which(eigenKh$values > 1e-10))
Uh <- eigenKh$vectors[, 1:nr, drop = FALSE]
Sh <- eigenKh$values[1:nr]
d <- t(Uh) %*% scale(y, scale = FALSE)
sol <- optimize(lden.fun, nr = nr, Uh = Uh, Sh = Sh, d = d,
lower = 0.0005, upper = 200)
phi <- sol[[1]]
log.vero <- 0.5 * sum(log(1 + phi * Sh)) -
(nr - 1) / 2 * log(sum(d^2 / (1 + phi * Sh)))
return(log.vero)
}
GC <- AK1
l <- 1
GC2 <- GC
vero1 <- vero(y = y, GC = GC2)
m <- 0
while (m == 0 && (l < ml)) {
l <- l + 1
GC <- AK.fun(AK1 = GC2, nl = 1)
GC2 <- GC
vero2 <- vero(y = y, GC = GC2)
if (vero2 < vero1) m <- 1
vero1 <- vero2
}
return(l - 1)
}
AK.fun <- function(AK1, nl) {
n <- nrow(AK1)
AK <- AK1
for (l in 1:nl) {
Aux <- tcrossprod(diag(AK))
cosalfa <- AK * (Aux^(-1 / 2))
cosa <- as.vector(cosalfa)
cosa[cosa > 1] <- 1
cosa[cosa < -1] <- -1
angulo <- acos(cosa)
angulo <- matrix(angulo, n, n)
AK <- (1 / pi) * (Aux^(1 / 2)) * (sin(angulo) + (pi - angulo) * cos(angulo))
}
AK <- AK / median(AK, na.rm = TRUE)
rownames(AK) <- rownames(AK1)
colnames(AK) <- colnames(AK1)
return(AK)
}
GAK)Os kernels arc-cosine seguem a mesma regra prática adotada para os kernels Gaussianos. No pipeline atual, o número de camadas ocultas é selecionado uma vez usando GY como caráter de referência, e o kernel resultante é então reutilizado em ambas as análises de caráter.
Este chunk constrói o kernel arc-cosine genômico usado na via genômica não linear.
GAK1 <- AK1.fun(Geno)
dim(GAK1)
GAK1[1:5, 1:5]
IDs <- as.character(Pheno$Pedigree)
GAK1 <- GAK1[rownames(GAK1) %in% IDs, rownames(GAK1) %in% IDs, drop = FALSE]
IDs <- factor(IDs, levels = rownames(GAK1))
Z <- as.matrix(model.matrix(~ IDs - 1))
rownames(Z) <- Pheno$ObsID
G <- tcrossprod(tcrossprod(Z, GAK1), Z)
Gl <- marg.AK(y = Pheno$GY, AK1 = G, ml = 50)
IDs.L <- factor(Pheno$Pedigree, levels = rownames(GAK1))
Z.L <- as.matrix(model.matrix(~ IDs.L - 1))
rownames(Z.L) <- Pheno$ObsID
G.L <- tcrossprod(tcrossprod(Z.L, GAK1), Z.L)
GAK <- AK.fun(AK1 = G.L, nl = Gl)
rownames(GAK) <- Pheno$ObsID
colnames(GAK) <- Pheno$ObsID
Este chunk verifica o kernel arc-cosine genômico para confirmar que o objeto final está numericamente consistente.
dim(GAK)
[1] 982 982
GAK[1:5, 1:5]
CS11_WS__A188 CS11_WS__A214N CS11_WS__A4415 CS11_WS__A632
CS11_WS__A188 0.9990646 0.9946313 0.9942027 0.9960061
CS11_WS__A214N 0.9946313 1.0135973 1.0013290 1.0038101
CS11_WS__A4415 0.9942027 1.0013290 1.0124484 1.0027557
CS11_WS__A632 0.9960061 1.0038101 1.0027557 1.0160907
CS11_WS__A634 0.9942696 1.0024601 1.0009561 1.0039067
CS11_WS__A634
CS11_WS__A188 0.9942696
CS11_WS__A214N 1.0024601
CS11_WS__A4415 1.0009561
CS11_WS__A632 1.0039067
CS11_WS__A634 1.0127906
PAK)O kernel arc-cosine fenômico também é calibrado uma vez usando GY como caráter de referência, e o kernel final é reutilizado para GY e KW nos modelos posteriores.
Este chunk constrói o kernel arc-cosine fenômico usado na via fenômica não linear.
PAK1 <- AK1.fun(NIR.all)
dim(PAK1)
PAK1[1:5, 1:5]
IDs <- rownames(NIR.all)
PAK1 <- PAK1[rownames(PAK1) %in% IDs, rownames(PAK1) %in% IDs, drop = FALSE]
Z <- as.matrix(model.matrix(~ IDs - 1))
rownames(Z) <- IDs
Z0 <- tcrossprod(Z, Z)
ZD <- tcrossprod(Z0, PAK1)
P <- tcrossprod(ZD, Z0)
Pl <- marg.AK(y = Pheno$GY, AK1 = P, ml = 50)
IDs.L <- rownames(NIR.all)
Z.L <- as.matrix(model.matrix(~ IDs.L - 1))
rownames(Z.L) <- IDs.L
Z0.L <- tcrossprod(Z.L, Z.L)
P.L <- tcrossprod(tcrossprod(Z0.L, PAK1), Z0.L)
PAK <- AK.fun(AK1 = P.L, nl = Pl)
rownames(PAK) <- rownames(NIR.all)
colnames(PAK) <- rownames(NIR.all)
Este chunk verifica o kernel arc-cosine fenômico para confirmar que a matriz final está coerente.
dim(PAK)
[1] 982 982
PAK[1:5, 1:5]
CS11_WS__A188 CS11_WS__A214N CS11_WS__A4415 CS11_WS__A632
CS11_WS__A188 4.2003907 0.31899063 1.9609738 2.616716
CS11_WS__A214N 0.3189906 0.02476945 0.1506630 0.200971
CS11_WS__A4415 1.9609738 0.15066296 0.9385849 1.238905
CS11_WS__A632 2.6167163 0.20097096 1.2389054 1.671860
CS11_WS__A634 1.7824447 0.13690513 0.8445348 1.133085
CS11_WS__A634
CS11_WS__A188 1.7824447
CS11_WS__A214N 0.1369051
CS11_WS__A4415 0.8445348
CS11_WS__A632 1.1330846
CS11_WS__A634 0.7757261
Este chunk constrói os kernels de interação associados às estruturas arc-cosine para uso nos modelos posteriores.
GAKE <- GAK * ZEZE
PAKE <- PAK * ZEZE
GAKW <- GAK * ZW
PAKW <- PAK * ZW
GAKE[1:5, 1:5]
PAKE[1:5, 1:5]
GAKW[1:5, 1:5]
PAKW[1:5, 1:5]
A tabela abaixo fornece uma checagem final de integridade dos kernels não lineares antes da exportação.
Este chunk resume os kernels não lineares e suas interações, oferecendo uma visão diagnóstica final desses objetos.
kernel_inventory_nonlinear <- data.frame(
kernel = c("GGK", "PGK", "GAK", "PAK", "GGKE", "PGKE", "GGKW", "PGKW", "GAKE", "PAKE", "GAKW", "PAKW"),
n_rows = c(nrow(GGK), nrow(PGK), nrow(GAK), nrow(PAK), nrow(GGKE), nrow(PGKE), nrow(GGKW), nrow(PGKW), nrow(GAKE), nrow(PAKE), nrow(GAKW), nrow(PAKW)),
n_cols = c(ncol(GGK), ncol(PGK), ncol(GAK), ncol(PAK), ncol(GGKE), ncol(PGKE), ncol(GGKW), ncol(PGKW), ncol(GAKE), ncol(PAKE), ncol(GAKW), ncol(PAKW)),
is_square = c(
nrow(GGK) == ncol(GGK), nrow(PGK) == ncol(PGK), nrow(GAK) == ncol(GAK), nrow(PAK) == ncol(PAK),
nrow(GGKE) == ncol(GGKE), nrow(PGKE) == ncol(PGKE), nrow(GGKW) == ncol(GGKW), nrow(PGKW) == ncol(PGKW),
nrow(GAKE) == ncol(GAKE), nrow(PAKE) == ncol(PAKE), nrow(GAKW) == ncol(GAKW), nrow(PAKW) == ncol(PAKW)
),
symmetric_names = c(
identical(rownames(GGK), colnames(GGK)), identical(rownames(PGK), colnames(PGK)),
identical(rownames(GAK), colnames(GAK)), identical(rownames(PAK), colnames(PAK)),
identical(rownames(GGKE), colnames(GGKE)), identical(rownames(PGKE), colnames(PGKE)),
identical(rownames(GGKW), colnames(GGKW)), identical(rownames(PGKW), colnames(PGKW)),
identical(rownames(GAKE), colnames(GAKE)), identical(rownames(PAKE), colnames(PAKE)),
identical(rownames(GAKW), colnames(GAKW)), identical(rownames(PAKW), colnames(PAKW))
),
aligned_with_reference = c(
identical(rownames(GGK), reference_ids), identical(rownames(PGK), reference_ids),
identical(rownames(GAK), reference_ids), identical(rownames(PAK), reference_ids),
identical(rownames(GGKE), reference_ids), identical(rownames(PGKE), reference_ids),
identical(rownames(GGKW), reference_ids), identical(rownames(PGKW), reference_ids),
identical(rownames(GAKE), reference_ids), identical(rownames(PAKE), reference_ids),
identical(rownames(GAKW), reference_ids), identical(rownames(PAKW), reference_ids)
)
)
kernel_inventory_nonlinear %>%
dplyr::mutate(
n_rows = format(n_rows, big.mark = ","),
n_cols = format(n_cols, big.mark = ",")
) %>%
knitr::kable(
caption = "Diagnostic summary of the nonlinear and interaction kernels.",
align = "lcccccc"
) %>%
kableExtra::kable_styling(
bootstrap_options = c("striped", "hover", "condensed", "responsive"),
full_width = FALSE,
position = "left"
) %>%
kableExtra::scroll_box(width = "100%", height = "340px")
| kernel | n_rows | n_cols | is_square | symmetric_names | aligned_with_reference |
|---|---|---|---|---|---|
| GGK | 982 | 982 | TRUE | TRUE | TRUE |
| PGK | 982 | 982 | TRUE | TRUE | TRUE |
| GAK | 982 | 982 | TRUE | TRUE | TRUE |
| PAK | 982 | 982 | TRUE | TRUE | TRUE |
| GGKE | 982 | 982 | TRUE | TRUE | TRUE |
| PGKE | 982 | 982 | TRUE | TRUE | TRUE |
| GGKW | 982 | 982 | TRUE | TRUE | TRUE |
| PGKW | 982 | 982 | TRUE | TRUE | TRUE |
| GAKE | 982 | 982 | TRUE | TRUE | TRUE |
| PAKE | 982 | 982 | TRUE | TRUE | TRUE |
| GAKW | 982 | 982 | TRUE | TRUE | TRUE |
| PAKW | 982 | 982 | TRUE | TRUE | TRUE |
Para revelar mais claramente a estrutura interna dos kernels, no arquivo em inglês nós plotamos as matrizes completas em vez de apenas um pequeno subconjunto no canto superior esquerdo. Cada matriz é reordenada por clustering hierárquico com base na distância induzida pelo kernel entre indivíduos ou observações:
\[ d_{ij}=\sqrt{K_{ii}+K_{jj}-2K_{ij}} \]
A mesma ordem de clustering é então aplicada às linhas e colunas da matriz. Isso facilita identificar estrutura em blocos, padrões locais de similaridade e contrastes entre os kernels lineares, Gaussianos e arc-cosine.
Como essas matrizes são quadradas, cada mapa de calor é exibido com
coord_fixed() e exportado com width = height
para que a razão visual corresponda à estrutura matemática da
matriz.
Este chunk desenha a figura diagnóstica que compara visualmente o comportamento dos principais kernels.
kernel_plot_info <- data.frame(
KernelName = c("ZG", "GGK", "GAK", "ZP", "PGK", "PAK"),
KernelLabel = c(
"Linear genomic kernel",
"Gaussian genomic kernel",
"Arc-cosine genomic kernel",
"Linear phenomic kernel",
"Gaussian phenomic kernel",
"Arc-cosine phenomic kernel"
),
stringsAsFactors = FALSE
)
dir.create("output/Matrizes/figures", recursive = TRUE, showWarnings = FALSE)
for (i in seq_len(nrow(kernel_plot_info))) {
current_name <- kernel_plot_info$KernelName[i]
current_label <- kernel_plot_info$KernelLabel[i]
current_matrix <- get(current_name)
current_matrix <- as.matrix(current_matrix)
current_matrix <- (current_matrix + t(current_matrix)) / 2
diag_values <- diag(current_matrix)
distance_squared <- outer(diag_values, diag_values, "+") - 2 * current_matrix
distance_squared[distance_squared < 0] <- 0
distance_matrix <- sqrt(distance_squared)
hc <- hclust(as.dist(distance_matrix), method = "average")
ord <- hc$order
current_matrix_ordered <- current_matrix[ord, ord, drop = FALSE]
rownames(current_matrix_ordered) <- seq_len(nrow(current_matrix_ordered))
colnames(current_matrix_ordered) <- seq_len(ncol(current_matrix_ordered))
current_df <- as.data.frame(as.table(current_matrix_ordered))
colnames(current_df) <- c("Row", "Column", "Value")
current_df$Row <- factor(current_df$Row, levels = rev(unique(current_df$Row)))
current_df$Column <- factor(current_df$Column, levels = unique(current_df$Column))
current_plot <- ggplot(current_df, aes(x = Column, y = Row, fill = Value)) +
geom_raster() +
scale_fill_gradient2(
low = "#2166AC",
mid = "white",
high = "#B2182B",
midpoint = median(current_df$Value, na.rm = TRUE),
name = "Valor do kernel"
) +
coord_fixed() +
labs(
title = current_name,
subtitle = current_label,
x = "Ordered observations",
y = "Ordered observations"
) +
theme_minimal(base_size = 11) +
theme(
plot.title = element_text(face = "bold", size = 12, hjust = 0.5),
plot.subtitle = element_text(size = 10, hjust = 0.5),
axis.title = element_text(face = "bold"),
axis.text = element_blank(),
axis.ticks = element_blank(),
legend.title = element_text(face = "bold"),
legend.text = element_text(size = 8),
panel.grid = element_blank()
)
print(current_plot)
ggsave(
filename = paste0("output/Matrizes/figures/", current_name, "_ordered_heatmap.tiff"),
plot = current_plot,
width = 8,
height = 8,
dpi = 300,
compression = "lzw",
bg = "white"
)
}






Os objetos de kernel criados neste tutorial são computacionalmente
caros para reproduzir. Por isso, a etapa final os salva como arquivos
.rds e limpa o workspace para que o próximo script de
modelagem possa começar com um estado de memória mais leve.
Esta última seção também é escrita de forma direta: listamos quais objetos serão salvos, escrevemos tudo em disco, exportamos as tabelas diagnósticas, removemos os objetos temporários restantes e então recarregamos as matrizes salvas.
Este chunk grava todas as matrizes e kernels em disco e faz uma limpeza básica para que os módulos seguintes possam carregar os artefatos diretamente.
keep_names <- c(
"ZE", "ZEZE", "ZG", "ZP", "ZGZE", "ZPZE", "ZW", "ZGZW", "ZPZW",
"GGK", "PGK", "GGKE", "PGKE", "GGKW", "PGKW",
"GAK", "PAK", "GAKE", "PAKE", "GAKW", "PAKW",
"Pheno", "Pedigree", "Pedigree_communs", "Geno.all", "NIR.all", "W"
)
current_objs <- ls(envir = .GlobalEnv)
to_keep <- intersect(current_objs, keep_names)
to_remove <- setdiff(current_objs, to_keep)
message("Objects kept (", length(to_keep), "): ", paste(to_keep, collapse = ", "))
message(
"Objects removed (", length(to_remove), "): ",
paste(head(to_remove, 40), collapse = ", "),
if (length(to_remove) > 40) paste0(" ... (+", length(to_remove) - 40, " more)")
)
for (obj_name in to_keep) {
saveRDS(get(obj_name), file = file.path("output/Matrizes", paste0(obj_name, ".rds")))
}
write.csv(
kernel_inventory_linear,
file = "output/Matrizes/kernel_inventory_linear.csv",
row.names = FALSE
)
write.csv(
kernel_inventory_nonlinear,
file = "output/Matrizes/kernel_inventory_nonlinear.csv",
row.names = FALSE
)
rm(list = to_remove, envir = .GlobalEnv)
gc()
rds_files <- list.files("output/Matrizes", pattern = "\\.rds$", full.names = TRUE)
for (file in rds_files) {
obj_name <- tools::file_path_sans_ext(basename(file))
assign(obj_name, readRDS(file), envir = .GlobalEnv)
}
message("Objects reloaded: ", paste(tools::file_path_sans_ext(basename(rds_files)), collapse = ", "))
Este tutorial converte informação genômica, fenômica e climática bruta em uma coleção reprodutível de kernels alinhados e prontos para os modelos preditivos posteriores.
Do ponto de vista do fluxo científico, este script exerce um papel estrutural no projeto:
Na etapa seguinte do projeto, esses kernels tornam-se as entradas dos modelos de predição genômica comparados no artigo.
Weverton Gomes da Costa, Postdoctoral Researcher, Department of Statistics - Universidade Federal de Viçosa, wevertonufv@gmail.com↩︎