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immunaut

Ivan Tomic info@ivantomic.com

Installation

You can install the released version of immunaut from CRAN with:

install.packages("immunaut")

Or you can install immunaut directly from GitHub with use of following commands:

# install.packages("devtools")
devtools::install_github("atomiclaboratory/immunaut", subdir = 'R-package')

Initial setup

library("immunaut")

# Generate a demo dataset with 1000 subjects, 200 features, 4 clusters, and a 10% probability of missing values
dataset <- generate_demo_data(n_subjects = 1000, n_features = 200, 
                                desired_number_clusters = 4, # Approximate number of clusters
                                cluster_overlap_sd = 35, # Standard deviation for cluster overlap
                                missing_prob = 0.1) # Probability of missing values

# Generate a file header for the dataset to use in downstream analysis
file_header <- generate_file_header(dataset)

settings <- list(
    fileHeader = file_header,
    seed = 1337,
    selectedColumns = colnames(dataset),  # Columns selected for analysis
    # Exclude outcome, age, and gender columns from the analysis
    excludedColumns = c("outcome", "age", "gender"),
    removeNA = TRUE,
    
    clusterType = "Louvain",
    target_clusters_range = c(3,4),
    resolution_increments =c(0.01, 0.1, 0.2, 0.3, 0.4),
    min_modularities = c(0.5, 0.6, 0.7, 0.8),
    pickBestClusterMethod = "Modularity",
    weights = list(AUROC = 0.9, modularity = 0.05, silhouette = 0.05),
    
    preProcessDataset = c("scale", "center", "medianImpute", "corr", "zv", "nzv"),
    selectedPartitionSplit = 0.7,  # Use the current partition split
    selectedPackages = c("rf", "gcvEarth"),
    trainingTimeout = 180
)

Example 1: Perform t-SNE and Louvain Clustering and Machine Learning

# Perform t-SNE and Louvain clustering using the 'immunaut' function
result <- immunaut(dataset, settings)

# Plot the clustered t-SNE results using ggplot2
p <- plot_clustered_tsne(result$tsne_clust$info.norm, 
                                result$tsne_clust$cluster_data, 
                                result$settings) 
print(p) # Display the plot


# Extract the dataset with the applied clustering from the result
dataset_ml <- result$dataset$dataset_ml
# Run the auto_simon_ml function to train machine learning models on the dataset
model_results <- auto_simon_ml(dataset_ml, settings)

# Extract the names of the models
model_names <- names(model_results$models)

# Create a data frame to store the model names and their corresponding AUROC values
model_auroc_table <- data.frame(
  Model = character(),
  AUROC = numeric(),
  stringsAsFactors = FALSE
)

# Loop through the models and extract AUROC values (One-vs-Rest) for Multiclass Models
for (model_name in model_names) {
  auroc_value <- model_results$models[[model_name]][["predictions"]][["AUROC"]]
  # Add the model name and its AUROC to the table
  model_auroc_table <- rbind(model_auroc_table, data.frame(Model = model_name, AUROC = auroc_value))
}

library(ggplot2)
# Create a bar chart with AUROC values
ggplot(model_auroc_table, aes(x = Model, y = AUROC, fill = Model)) +
  geom_bar(stat = "identity") +  # Create bars
  geom_text(aes(label = round(AUROC, 3)), vjust = -0.5) +  # Add AUROC values above bars
  ggtitle("AUROC for Models") +
  xlab("Model") + 
  ylab("AUROC") +
  theme_minimal() +  # Use a minimal theme
  scale_fill_brewer(palette = "Set3")

Example 2: Switch to DBSCAN Clustering

# Update settings for DBSCAN clustering
settings$clusterType <- "Density"
settings$minPtsAdjustmentFactor <- 1.5
settings$epsQuantile <- 0.9

# Run t-SNE and DBSCAN clustering
dbscan_result <- immunaut(dataset, settings)
#> [1] "====> Density-based clustering"

Example 3: Perform Mclust Clustering

# Update settings for Mclust clustering
settings$clusterType <- "Mclust"
settings$clustGroups <- 3  # Specify the number of clusters for Mclust

# Run t-SNE and Mclust clustering
mclust_result <- immunaut(dataset, settings)
#> [1] "==> cluster_tsne_mclust clustGroups:  3"
#> fitting ...
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Example 4: Perform Hierarchical Clustering

# Update settings for Hierarchical clustering
settings$clusterType <- "Hierarchical"
settings$clustLinkage <- "ward.D2"
settings$clustGroups <- 3

# Run t-SNE and Mclust clustering
hierarchical_result <- immunaut(dataset, settings)
#> [1] "====> Noise indices:  25"
#> [1] "====> Noise indices done"

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.
Health stats visible at Monitor.