library(data.table) library(neuralnet) #' Find genes by training a neural network on reference position data. #' @param seed A seed to get reproducible results. process_neural <- function(distances, gene_ids, preset, seed = 726839) { species_ids <- preset$species_ids reference_gene_ids <- preset$reference_gene_ids set.seed(seed) gene_count <- length(gene_ids) # Prefilter distances by species. distances <- distances[species %chin% species_ids] #' Input data for the network. This contains the gene ID as an identifier #' as well as the per-species gene distances as input variables. data <- data.table(gene = gene_ids) #' Buffer to keep track of species included in the computation. Species #' from `species_ids` may be excluded if they don't have enough data. species_ids_included <- NULL for (species_id in species_ids) { # Make a column specific to this species. species_distances <- distances[species == species_id, .(gene, distance)] setnames(species_distances, "distance", species_id) # Only include species with at least 25% known values. species_distances <- na.omit(species_distances) if (nrow(species_distances) >= 0.25 * gene_count) { species_ids_included <- append(species_ids_included, species_id) data <- merge(data, species_distances, all = TRUE) } } # Replace missing data with mean values. The neural network can't handle # NAs in a meaningful way. Choosing extreme values here would result in # heavily biased results. Therefore, the mean value is chosen as a # compromise. However, this will of course lessen the significance of the # results. for (species_id in species_ids_included) { mean_value <- data[, mean(get(species_id), na.rm = TRUE)] data[ is.na(get(species_id)), eval(quote(species_id)) := round(mean_value) ] } # Extract the reference genes. reference_data <- data[gene %chin% reference_gene_ids] reference_data[, neural := 1.0] # Take out random samples from the remaining genes. This is another # compromise with a negative impact on significance. Because there is no # information on genes with are explicitely *not* TPE-OLD genes, we have to # assume that a random sample of genes has a low probability of including # TPE-OLD genes. without_reference_data <- data[!gene %chin% reference_gene_ids] reference_samples <- without_reference_data[ sample( nrow(without_reference_data), nrow(reference_data) ) ] reference_samples[, neural := 0.0] # Merge training data. The training data includes all reference genes as # well as an equal number of random sample genes. training_data <- rbindlist(list(reference_data, reference_samples)) # Construct and train the neural network. nn_formula <- as.formula(sprintf( "neural~%s", paste(species_ids_included, collapse = "+") )) layer1 <- length(species_ids_included) * 0.66 layer2 <- layer1 * 0.66 layer3 <- layer2 * 0.66 nn <- neuralnet( nn_formula, training_data, hidden = c(layer1, layer2, layer3), linear.output = FALSE ) # Return the resulting scores given by applying the neural network. data[, score := compute(nn, data)$net.result] data[, .(gene, score)] }