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Core Pipeline

Main classes for building zero-leakage ML pipelines

OmicPipeline
OmicPipeline: Zero-Leakage Feature Selection Pipeline
omic_pipeline()
Quick pipeline creation from data
BenchmarkService
BenchmarkService: Nested Cross-Validation with Zero Leakage
omic_benchmark()
Create benchmark service from OmicPipeline

Signature Selection

Multi-objective biomarker signature selection

select_best_signature()
Select Best Biomarker Signature from Nested CV Results
get_consensus_features()
Get Consensus Features from Best Signature
get_selected_features_per_fold()
Get Selected Features Per Fold

Stability Analysis

Feature selection stability metrics

compute_nogueira_stability()
Compute Nogueira Stability Index
compute_stability_from_resample()
Compute Stability from ResampleResult
extract_features_from_resample()
Extract Features from All Folds in ResampleResult
extract_selected_features()
Extract Selected Features from Trained GraphLearner

Batch Correction

FrozenComBat for proper batch effect handling

FrozenComBat
FrozenComBat R6 Class
frozen_combat_correct()
Convenience function for frozen ComBat correction
create_frozen_combat_pipeop()
Create a Frozen ComBat PipeOp for mlr3pipelines

Calibration

Probability calibration and diagnostics

fit_platt_scaling()
Platt Scaling (Logistic Calibration)
fit_isotonic_calibration()
Isotonic Regression Calibration
fit_temperature_scaling()
Temperature Scaling
compute_ece()
Compute Expected Calibration Error (ECE)
decompose_brier()
Decompose Brier Score
calibration_summary()
Calibration Summary for Model Results
reliability_diagram_data()
Create Reliability Diagram Data

Interpretability

Model interpretation and feature importance

create_explainer()
Create Model Explainer
shap_values()
Compute SHAP-like Values
feature_importance()
Compute Permutation Feature Importance
partial_dependence()
Compute Partial Dependence
check_feature_correlations()
Check Feature Correlations

Phase 5: GOF Filters

Goodness-of-fit filters for sparse/zero-inflated omics data

FilterGOF_KS
Kolmogorov-Smirnov GOF Filter
FilterHurdle
Hurdle Filter for Zero-Inflated Data
FilterZeroProp
Zero-Proportion Filter
make_gof_filter()
Create GOF Filter
compare_gof_filters()
Compare GOF Filters on Task
register_gof_filters()
Register GOF Filters in mlr3

Phase 5: Bayesian Tuning

Bayesian hyperparameter optimization with mlr3mbo

make_autotuner_glmnet()
Create Bayesian-Optimized AutoTuner for glmnet
make_autotuner_xgboost()
Create Bayesian-Optimized AutoTuner for XGBoost
make_autotuner_ranger()
Create Bayesian-Optimized AutoTuner for Random Forest
make_autotuner_lightgbm()
Create Bayesian-Optimized AutoTuner for LightGBM
get_optimal_params()
Get Optimal Hyperparameters from AutoTuner
run_bayesian_benchmark()
Run Bayesian Optimization Benchmark

Phase 5: AutoXAI

DALEX-based interpretability with correlation warnings

xai_pipeline()
Run Complete XAI Pipeline
xai_explainer_mlr3()
Create DALEX Explainer from mlr3 Learner
xai_importance()
Compute Permutation Feature Importance
xai_correlations()
Compute Correlation Diagnostics for Features
xai_pdp()
Compute Partial Dependence Plots
xai_shap()
Compute SHAP Values for Observations
plot_xai_importance()
Plot XAI Feature Importance
print_xai_summary()
Print XAI Summary

Phase 5: Stability Ensemble

Bootstrap-based feature selection stability

create_stability_ensemble()
Create a Stability Ensemble with Presets
StabilityEnsemble
Stability-Based Ensemble Selection
SequentialSelector
Hybrid Sequential Feature Selection (HSFS)

Phase 5: Synthetic Data

Data augmentation and synthetic data generation

smote_augment()
SMOTE Augmentation for Omics Data
noise_augment()
Gaussian Noise Augmentation
validate_synthetic()
Validate Synthetic Data Quality
balance_classes()
Create Balanced Training Set
tabddpm_generate()
TabDDPM Synthetic Data Generator

Phase 5: Deep Learning

Deep learning models for omics (requires torch)

create_mlp_learner()
Create MLP Learner via mlr3torch
make_mlp_learner()
Create Omics-Optimized MLP Learner
make_tabtransformer_learner()
Create TabTransformer Learner
make_gnn_learner()
Create GNN Learner for Pathway-Aware Classification
build_correlation_adjacency()
Create Correlation-Based Adjacency for GNN
run_dl_benchmark()
Deep Learning Benchmark
check_dl_availability()
Check Deep Learning Availability

Multi-Omics

Multi-omics late integration

merge_omics_data()
Merge Multi-Omics Data for Analysis
get_modality_info()
Get Modality Information
validate_omics_input()
Validate Multi-Omics Input
stack_omics()
Create Multi-Omics Stacked Ensemble (Convenience Function)

Model Export & Reporting

Model deployment and TRIPOD reporting

generate_tripod_report()
Generate TRIPOD+AI Report
create_report_data()
Create Report Data Schema

Utilities

Helper functions for parallel processing and caching

setup_parallel()
Configure Parallelization for OmicSelector
with_parallel()
With Parallel Scope
get_parallel_status()
Get Current Parallelization Status
reset_parallel()
Reset Parallelization to Sequential
create_omic_cache()
Create Split-Aware Cache
cached_filter()
Cached Filter Computation
cache_stats()
Get Cache Statistics
clear_cache()
Clear OmicSelector Cache

Legacy Functions

Functions from OmicSelector 1.x (use with caution)

list_deprecated_functions()
List all deprecated functions
OmicSelector_OmicSelector_wrapper()
OmicSelector_OmicSelector (DEPRECATED)
OmicSelector_PCA()
OmicSelector_PCA
OmicSelector_PCA_3D()
OmicSelector_PCA_3D
OmicSelector_benchmark()
OmicSelector_benchmark
OmicSelector_best_signature_de()
OmicSelector_best_signature_de
OmicSelector_best_signature_proposals()
OmicSelector_best_signature_proposals
OmicSelector_best_signature_proposals_meta11()
OmicSelector_best_signature_proposals_meta11
OmicSelector_combat()
OmicSelector_combat
OmicSelector_correct_miRNA_names()
OmicSelector_correct_miRNA_names
OmicSelector_correlation_plot()
OmicSelector_correlation_plot
OmicSelector_counts_to_log10tpm()
OmicSelector_counts_to_log10tpm
OmicSelector_create_formula()
OmicSelector_create_formula
OmicSelector_differential_expression_ttest()
OmicSelector_differential_expression_ttest
OmicSelector_diverge_color()
OmicSelector_diverge_color
OmicSelector_docker.update_progress()
OmicSelector_docker.update_progress
OmicSelector_download_tissue_miRNA_data_from_TCGA()
OmicSelector_download_tissue_miRNA_data_from_TCGA
OmicSelector_get_benchmark()
OmicSelector_get_benchmark
OmicSelector_get_benchmark_methods()
OmicSelector_get_benchmark_methods
OmicSelector_get_features_from_benchmark()
OmicSelector_get_features_from_benchmark
OmicSelector_heatmap.3()
OmicSelector_heatmap.3
OmicSelector_heatmap()
OmicSelector_heatmap
OmicSelector_iteratedRFE()
OmicSelector_iteratedRFE
OmicSelector_iteratedRFE_deprecated()
Wrapper for deprecated OmicSelector_iteratedRFE
OmicSelector_load_datamix()
OmicSelector_load_datamix
OmicSelector_load_extension()
OmicSelector_load_extension
OmicSelector_log()
OmicSelector_log
OmicSelector_merge_formulas()
OmicSelector_merge_formulas
OmicSelector_myclust()
OmicSelector_myclust
OmicSelector_mydist()
OmicSelector_mydist
OmicSelector_prepare_split()
OmicSelector_prepare_split
OmicSelector_process_tissue_miRNA_TCGA()
OmicSelector_process_tissue_miRNA_TCGA
OmicSelector_profileplot()
OmicSelector_profileplot
OmicSelector_propensity_score_matching()
OmicSelector_propensity_score_matching
OmicSelector_setup()
OmicSelector_setup
OmicSelector_signature_overlap()
OmicSelector_signature_overlap
OmicSelector_table()
OmicSelector_table
OmicSelector_vulcano_plot()
OmicSelector_vulcano_plot
OmicSelector_xgboost()
OmicSelector_xgboost

Internal Functions

Internal functions and helpers (exported for advanced use)

AutoXAI
Auto XAI: Automatic Explainability for Biomarker Models
BayesianTuner
Bayesian Hyperparameter Optimization for Omics
BenchmarkService
BenchmarkService: Nested Cross-Validation with Zero Leakage
DeepLearners
Deep Learning Learners for Omics Data
FilterGOF
Goodness-of-Fit Filters for Sparse Omics Data
FilterGOF_KS
Kolmogorov-Smirnov GOF Filter
FilterHurdle
Hurdle Filter for Zero-Inflated Data
FilterZeroProp
Zero-Proportion Filter
FrozenComBat
FrozenComBat R6 Class
OmicModalitySpec
OmicModalitySpec R6 Class
OmicPipeline
OmicPipeline: Zero-Leakage Feature Selection Pipeline
OmicSelector-package OmicSelector
OmicSelector: Zero-Leakage Biomarker Discovery Toolkit
OmicSelector_OmicSelector_wrapper()
OmicSelector_OmicSelector (DEPRECATED)
OmicSelector_PCA()
OmicSelector_PCA
OmicSelector_PCA_3D()
OmicSelector_PCA_3D
OmicSelector_benchmark()
OmicSelector_benchmark
OmicSelector_best_signature_de()
OmicSelector_best_signature_de
OmicSelector_best_signature_proposals()
OmicSelector_best_signature_proposals
OmicSelector_best_signature_proposals_meta11()
OmicSelector_best_signature_proposals_meta11
OmicSelector_combat()
OmicSelector_combat
OmicSelector_correct_miRNA_names()
OmicSelector_correct_miRNA_names
OmicSelector_correlation_plot()
OmicSelector_correlation_plot
OmicSelector_counts_to_log10tpm()
OmicSelector_counts_to_log10tpm
OmicSelector_create_formula()
OmicSelector_create_formula
OmicSelector_differential_expression_ttest()
OmicSelector_differential_expression_ttest
OmicSelector_diverge_color()
OmicSelector_diverge_color
OmicSelector_docker.update_progress()
OmicSelector_docker.update_progress
OmicSelector_download_tissue_miRNA_data_from_TCGA()
OmicSelector_download_tissue_miRNA_data_from_TCGA
OmicSelector_get_benchmark()
OmicSelector_get_benchmark
OmicSelector_get_benchmark_methods()
OmicSelector_get_benchmark_methods
OmicSelector_get_features_from_benchmark()
OmicSelector_get_features_from_benchmark
OmicSelector_heatmap.3()
OmicSelector_heatmap.3
OmicSelector_heatmap()
OmicSelector_heatmap
OmicSelector_iteratedRFE()
OmicSelector_iteratedRFE
OmicSelector_iteratedRFE_deprecated()
Wrapper for deprecated OmicSelector_iteratedRFE
OmicSelector_load_datamix()
OmicSelector_load_datamix
OmicSelector_load_extension()
OmicSelector_load_extension
OmicSelector_log()
OmicSelector_log
OmicSelector_merge_formulas()
OmicSelector_merge_formulas
OmicSelector_myclust()
OmicSelector_myclust
OmicSelector_mydist()
OmicSelector_mydist
OmicSelector_prepare_split()
OmicSelector_prepare_split
OmicSelector_process_tissue_miRNA_TCGA()
OmicSelector_process_tissue_miRNA_TCGA
OmicSelector_profileplot()
OmicSelector_profileplot
OmicSelector_propensity_score_matching()
OmicSelector_propensity_score_matching
OmicSelector_setup()
OmicSelector_setup
OmicSelector_signature_overlap()
OmicSelector_signature_overlap
OmicSelector_table()
OmicSelector_table
OmicSelector_vulcano_plot()
OmicSelector_vulcano_plot
OmicSelector_xgboost()
OmicSelector_xgboost
OmicStackedEnsemble
OmicStackedEnsemble R6 Class
OmicWeightedEnsemble
Simple Weighted Averaging Ensemble
SequentialSelector
Hybrid Sequential Feature Selection (HSFS)
StabilityEnsemble
Stability-Based Ensemble Selection
SyntheticData
Synthetic Data Generation for Omics
apply_frozen_combat_cv()
Apply Frozen ComBat Within Cross-Validation Folds
balance_classes()
Create Balanced Training Set
build_correlation_adjacency()
Create Correlation-Based Adjacency for GNN
cache
Split-Aware Caching for OmicSelector 2.0
cache_stats()
Get Cache Statistics
cached_filter()
Cached Filter Computation
calibration
Calibration Metrics for OmicSelector 2.0
calibration_summary()
Calibration Summary for Model Results
check_batch_correction_leakage()
Check for Batch Correction Leakage
check_dl_availability()
Check Deep Learning Availability
check_feature_correlations()
Check Feature Correlations
clear_cache()
Clear OmicSelector Cache
compare_gof_filters()
Compare GOF Filters on Task
compute_ece()
Compute Expected Calibration Error (ECE)
compute_nogueira_stability()
Compute Nogueira Stability Index
compute_shap_with_warnings()
Compute SHAP Values with Correlation Warnings
compute_stability_from_resample()
Compute Stability from ResampleResult
create_explainer()
Create Model Explainer
create_frozen_combat_pipeop()
Create a Frozen ComBat PipeOp for mlr3pipelines
create_hsfs_selector()
Create a Hybrid Sequential Feature Selector
create_mlp_learner()
Create MLP Learner via mlr3torch
create_omic_cache()
Create Split-Aware Cache
create_report_data()
Create Report Data Schema
create_stability_ensemble()
Create a Stability Ensemble with Presets
decompose_brier()
Decompose Brier Score
deprecated
Deprecated and Leaky Functions
export_bundle()
Create Complete Export Bundle
export_onnx()
Export Model to ONNX Format
export_vetiver()
Export Model as Vetiver for Deployment
extract_features_from_resample()
Extract Features from All Folds in ResampleResult
extract_selected_features()
Extract Selected Features from Trained GraphLearner
feature_importance()
Compute Permutation Feature Importance
fit_isotonic_calibration()
Isotonic Regression Calibration
fit_platt_scaling()
Platt Scaling (Logistic Calibration)
fit_temperature_scaling()
Temperature Scaling
frozen-combat
Frozen ComBat for Leakage-Free Batch Correction
frozen_combat_correct()
Convenience function for frozen ComBat correction
generate_cache_key()
Generate Split-Aware Cache Key
generate_tripod_report()
Generate TRIPOD+AI Report
get_consensus_features()
Get Consensus Features from Best Signature
get_modality_info()
Get Modality Information
get_optimal_params()
Get Optimal Hyperparameters from AutoTuner
get_parallel_status()
Get Current Parallelization Status
get_reliable_shap_features()
Get Reliable SHAP Features
get_selected_features_per_fold()
Get Selected Features Per Fold
interpretability
Model Interpretability for OmicSelector 2.0
list_deprecated_functions()
List all deprecated functions
load_bundle()
Load Exported Model Bundle
make_autotuner_glmnet()
Create Bayesian-Optimized AutoTuner for glmnet
make_autotuner_lightgbm()
Create Bayesian-Optimized AutoTuner for LightGBM
make_autotuner_ranger()
Create Bayesian-Optimized AutoTuner for Random Forest
make_autotuner_xgboost()
Create Bayesian-Optimized AutoTuner for XGBoost
make_gnn_learner()
Create GNN Learner for Pathway-Aware Classification
make_gof_filter()
Create GOF Filter
make_mlp_learner()
Create Omics-Optimized MLP Learner
make_tabtransformer_learner()
Create TabTransformer Learner
memoize_with_split()
Memoize Function with Split Context
merge_omics_data()
Merge Multi-Omics Data for Analysis
model-export
Model Export for OmicSelector 2.0
multi-omics
Multi-Omics Support for OmicSelector 2.0
noise_augment()
Gaussian Noise Augmentation
omic_benchmark()
Create benchmark service from OmicPipeline
omic_pipeline()
Quick pipeline creation from data
parallel
Parallelization Support for OmicSelector 2.0
partial_dependence()
Compute Partial Dependence
plot_signature_tradeoffs()
Plot Signature Selection Trade-offs
plot_xai_importance()
Plot XAI Feature Importance
print(<CalibrationResult>)
Print method for CalibrationResult
print(<CorrelationCheck>)
Print Correlation Check
print(<FeatureImportance>)
Print Feature Importance
print(<LeakageValidation>)
Print method for LeakageValidation
print(<NestedCVResult>)
Print method for NestedCVResult
print(<NogueiraStability>)
Print method for NogueiraStability
print(<OmicBenchmarkResult>)
Print method for OmicBenchmarkResult
print(<OmicsInput>)
Print method for OmicsInput
print(<ReportData>)
Print method for ReportData
print(<SignatureSelectionResult>)
Print Method for Signature Selection Result
print_shap_warnings()
Print SHAP Warnings Report
print_xai_summary()
Print XAI Summary
register_gof_filters()
Register GOF Filters in mlr3
reliability_diagram_data()
Create Reliability Diagram Data
report
TRIPOD+AI Report Generation for OmicSelector 2.0
reset_parallel()
Reset Parallelization to Sequential
run_bayesian_benchmark()
Run Bayesian Optimization Benchmark
run_dl_benchmark()
Deep Learning Benchmark
select_best_signature()
Select Best Biomarker Signature from Nested CV Results
setup_parallel()
Configure Parallelization for OmicSelector
shap_values()
Compute SHAP-like Values
shap_warnings
Correlation-Aware SHAP Interpretation
signature-selection
Signature Selection: Multi-Objective Best Biomarker Selection
smote_augment()
SMOTE Augmentation for Omics Data
stability
Nogueira Stability Index for Feature Selection
stack_omics()
Create Multi-Omics Stacked Ensemble (Convenience Function)
tabddpm_generate()
TabDDPM Synthetic Data Generator
torch-learners
mlr3torch Learner Integration for OmicSelector 2.0
validate_no_leakage()
Validate pipeline for leakage risks
validate_omics_input()
Validate Multi-Omics Input
validate_synthetic()
Validate Synthetic Data Quality
with_parallel()
With Parallel Scope
xai_correlations()
Compute Correlation Diagnostics for Features
xai_explainer_mlr3()
Create DALEX Explainer from mlr3 Learner
xai_importance()
Compute Permutation Feature Importance
xai_pdp()
Compute Partial Dependence Plots
xai_pipeline()
Run Complete XAI Pipeline
xai_shap()
Compute SHAP Values for Observations