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Single-sample scoring & deployment

Freeze rostered within-sample scorers and score one incoming specimen without a test batch; deployability only, not a superiority claim.

deploy_singlesample()
Build a frozen single-sample deployment scorer
score_specimen()
Score new specimens with a frozen single-sample deployment object
is_singlesample_deployable()
Check whether a deployment scorer is single-sample deployable
ws_balance_ilr()
Isometric log-ratio balances on a frozen partition tree
ws_rclr_trimmed()
Robust trimmed centred log-ratio for compositional miRNA panels
singlesample_method_roster()
Amendment #4 method roster (frozen expansion)
singlesample_score_call()
Score a roster method with the canonical single-sample interface
singlesample_assert_row_equivariant()
Assert that a scorer is row-equivariant (single-sample deployable)

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

Cross-Platform Transfer

Cross-platform model deployment and domain adaptation

cross_platform_transfer()
Convenience Wrapper for Cross-Platform Transfer

Within-Sample CoDA Methods

Paper 1 v2.2 image encodings, neural learners, and perturbation benchmarking

encode_simple_grid()
Simple Row-Major Grid Encoding
encode_corr_grid()
Encode with Correlation-Ordered Grid
encode_deepinsight()
Encode with DeepInsight Layout
encode_ratio_image()
Create Pairwise Log-Ratio Image
train_ratio_cnn()
Train Ratio Image CNN
train_ratio_cnn_multiseed()
Train Ratio CNN Across Three Default Seeds
clr_transform()
Centered Log-Ratio Transformation
train_clr_mlp()
Train a CLR + MLP Classifier
predict_clr_mlp()
Predict with a CLR + MLP Classifier
train_codacore()
Train a CoDaCoRe Classifier
predict_codacore()
Predict with a CoDaCoRe Classifier
ws_perturbation_benchmark()
Within-Sample Perturbation Benchmark

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()
Make MLP Learner (Alias)
make_fttransformer_learner() make_tabtransformer_learner()
Create an FT-Transformer 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)

OmicSelector_correlation_plot()
OmicSelector_correlation_plot
OmicSelector_profileplot()
OmicSelector_profileplot
OmicSelector_propensity_score_matching()
OmicSelector_propensity_score_matching
OmicSelector_vulcano_plot()
OmicSelector_vulcano_plot

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
CrossPlatformAdapter
CrossPlatformAdapter R6 Class
DeepLearners
Deep Learning Learners for Omics Data
FilterCoDA_CoDaCoRe
CoDaCoRe Feature Filter
FilterCoDA_LogcontrastLasso
Log-Contrast Lasso Filter
FilterCoDA_PLRVariance
Pairwise Log-Ratio Variance Filter
FilterCoDA_Selbal
Selbal-Style Forward Balance Filter
FilterCoDA_StabilityLogratio
Stability Log-Ratio Filter
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
GoldStandard
Gold Standard Synthetic Dataset for Leakage Detection
OmicModalitySpec
OmicModalitySpec R6 Class
OmicPipeline
OmicPipeline: Zero-Leakage Feature Selection Pipeline
OmicSelector-data detectable_in_serum miRNAselector_tutorial_balanced_benchmark miRNAselector_tutorial_balanced_dataset miRNAselector_tutorial_balanced_mixed original_TCGA_data orginal_TCGA_data
Datasets included with OmicSelector
OmicSelector-package OmicSelector
OmicSelector: Zero-Leakage Biomarker Discovery Toolkit
OmicSelector_correlation_plot()
OmicSelector_correlation_plot
OmicSelector_profileplot()
OmicSelector_profileplot
OmicSelector_propensity_score_matching()
OmicSelector_propensity_score_matching
OmicSelector_vulcano_plot()
OmicSelector_vulcano_plot
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
TabularDL
Modern Tabular Learners for OmicSelector
apply_compositional_mahalanobis()
Apply compositional Mahalanobis distance to new samples
apply_frozen_combat_cv()
Apply Frozen ComBat Within Cross-Validation Folds
apply_frozen_quantile()
Apply frozen quantile calibration to new samples
apply_frozen_ruv()
Apply frozen RUV correction to new samples
apply_hemolysis_prefilter()
Apply a Hemolysis Pre-Filter
apply_hemolysis_rr()
Apply frozen hemolysis-RR correction to new samples
apply_isolation_forest_logratio()
Apply isolation forest to new samples and flag anomalies
apply_logistic_normal_eb()
Apply frozen logistic-normal EB shrinkage to new samples
apply_mirna_aliases()
Rename miRNA features in a matrix or named vector
apply_robust_pca_residual()
Apply MAD-scaled SVD residual filter to new samples
apply_sinkhorn_ot_scorer()
Apply a frozen Sinkhorn OT scorer.
autoencoder
Autoencoder Utilities (torch)
autoencoder_encode()
Encode Features with Autoencoder
autoencoder_fit()
Fit Autoencoder
autoencoder_load()
Load Autoencoder State
autoencoder_save()
Save Autoencoder State
balance_classes()
Create Balanced Training Set
bias-audit
Cohort-Provenance Bias Audit
biofluid_aware_scoring
Biofluid-aware within-sample scoring methods
build_correlation_adjacency()
Create Correlation-Based Adjacency for GNN
cache
Split-Aware Caching for OmicSelector
cache_stats()
Get Cache Statistics
cached_filter()
Cached Filter Computation
calibration
Calibration Metrics for OmicSelector
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
check_no_premature_imputation()
Detect Global Pre-Loop Imputation (Leakage Check)
check_null_benchmark_draws()
Validate Random-Panel Null Benchmark
clear_cache()
Clear OmicSelector Cache
clr-mlp
CLR + MLP Models for Within-Sample Classification
clr_transform()
Centered Log-Ratio Transformation
coda-feature-selection
CoDA-Aware Feature Selection for Biomarker Panels
codaFS_codacore_wrapper()
CoDaCoRe-Derived Feature Selection
codaFS_logcontrast_lasso()
Log-Contrast Lasso on CLR Features
codaFS_plr_variance()
Pairwise Log-Ratio Variance Feature Filter
codaFS_selbal_wrapper()
Selbal-Style Forward Balance Feature Selection
codaFS_stability_logratio()
Stability Selection on Pairwise Log-Ratios
codacore-interface
CoDaCoRe Interfaces for Sparse Log-Contrast Classification
compare_gof_filters()
Compare GOF Filters on Task
compute_domain_shift()
Quantify Domain Shift Between Source and Target Platforms
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_autoencoder_pipeop()
Create Autoencoder PipeOp
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
create_ws_pipeop()
Apply Within-Sample Normalization to OmicPipeline
cross-platform
Cross-Platform Transfer Learning Utilities
cross_platform_transfer()
Convenience Wrapper for Cross-Platform Transfer
dacvae_ct_to_abundance()
Convert qPCR Ct values to relative abundance with a fitted DA-cVAE's frozen reference
decompose_brier()
Decompose Brier Score
deploy_singlesample()
Build a frozen single-sample deployment scorer
encode_batch()
Batch-Encode an Expression Matrix with Any Encoding
encode_corr_grid()
Encode with Correlation-Ordered Grid
encode_deepinsight()
Encode with DeepInsight Layout
encode_ratio_image()
Create Pairwise Log-Ratio Image
encode_simple_grid()
Simple Row-Major Grid Encoding
evaluate_feature_selection()
Evaluate Feature Selection for Leakage
export_bundle()
Create Complete Export Bundle
export_mlr3torch_checkpoint()
Export mlr3torch Checkpoint
export_omicfit_checkpoint()
Export mlr3torch Checkpoint from OmicFit
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
finetune_mlr3torch_checkpoint()
Fine-tune from mlr3torch Checkpoint
finetune_omicfit_checkpoint()
Fine-tune OmicFit from mlr3torch Checkpoint
fit_ai_scarf()
Fit the SCARF self-supervised contrastive single-sample discriminator
fit_bal_selbal()
Fit selbal-selected single-balance discriminator
fit_biofluid_anchor_rclr()
Fit biofluid-stable anchor rCLR
fit_biofluid_residualized_alr()
Fit biofluid-residualized ALR
fit_biofluid_stratified_rclr()
Fit biofluid-stratified rCLR centering
fit_block_fe_rclr()
Fit provenance-block rCLR centering moments
fit_coda_codacore()
Fit the CoDaCoRe stagewise log-ratio-balance discriminator
fit_coda_deepcoda()
Fit the DeepCoDA zero-sum log-contrast single-sample discriminator
fit_cohort_z_then_pool_score()
Fit cohort-wise robust z-score moments
fit_compositional_mahalanobis()
Fit robust Mahalanobis detector on compositional log-ratio coordinates
fit_conf_mondrian()
Fit Mondrian-conformal class-conditional LRT discriminator
fit_conformal_anomaly()
Fit a conformal anomaly detector from a Tier R healthy reference cohort
fit_corr_order()
Correlation-Ordered Grid Encoding
fit_cross_tech_harmonized_rclr()
Fit cross-technology harmonized rCLR anchors
fit_cvae()
Fit the counterfactual class-conditional VAE single-sample discriminator
fit_dacvae()
Fit the DA-cVAE single-sample discriminator
fit_dann()
Fit the DANN domain-adversarial cross-cohort single-sample discriminator
fit_deepinsight()
Fit DeepInsight Feature Layout
fit_dg_fishr()
Fit the Fishr cross-cohort transfer single-sample discriminator
fit_dg_ibirm()
Fit the IB-IRM cross-cohort transfer single-sample discriminator
fit_dominance_threshold()
Calibrate a cohort-specific dominance threshold
fit_dre_ulsif()
Fit unconstrained least-squares importance-fitting (uLSIF) density-ratio LRT
fit_dro_group()
Fit the Group-DRO kit x biofluid robust discriminator
fit_dro_vrex()
Fit the V-REx cross-cohort transfer single-sample discriminator
fit_ecod_copod()
Fit the ECOD + COPOD novelty discriminator
fit_frac_mfdfa()
Fit MFDFA spectrum (frac-mfdfa) within-sample discriminator
fit_frozen_quantile()
Fit a frozen monotone quantile calibrator from training data
fit_frozen_ruv()
Fit a frozen RUV factor model from training data
fit_group_dro_scorer()
Fit a Group-DRO kit x biofluid logistic scorer.
fit_gsp_gft()
Fit a graph-Fourier discriminator on a frozen co-expression graph
fit_hemolysis_kit_dual_anchor()
Fit the hemolysis plus kit-stable dual-anchor denominator.
fit_hemolysis_prefilter()
Fit a Hemolysis Pre-Filter
fit_hemolysis_rr()
Fit robust-regression hemolysis nuisance model from training controls
fit_icp()
Fit Invariant Causal Prediction discriminator (transfer at training, single-sample at inference)
fit_ig_fisherrao()
Fit Fisher-Rao geodesic class-conditional LRT discriminator
fit_img_gasfcnn()
Fit the GASF-image CNN single-sample discriminator
fit_inv_css()
Fit curvature-scale-space (inv-css) within-sample discriminator
fit_inv_fdaqf()
Fit quantile-function FDA (inv-fdaqf) within-sample discriminator
fit_inv_glcm()
Fit GLCM Haralick texture (inv-glcm) within-sample discriminator
fit_inv_olbp()
Fit ordinal Local Binary Pattern (inv-olbp) within-sample discriminator
fit_inv_scatter()
Fit the 1D wavelet-scattering single-sample discriminator
fit_isolation_forest_logratio()
Fit a pure-R isolation forest on rCLR log-ratio inputs
fit_isotonic_calibration()
Isotonic Regression Calibration
fit_kit_fe_adjusted_alr()
Fit kit fixed-effect adjusted ALR.
fit_kit_orthogonal_ilr()
Fit kit-orthogonal ILR-like residualization.
fit_kit_residual_mad()
Fit kit-residual MAD scoring.
fit_kit_stable_anchors()
Fit kit-stable denominator anchors on training data only.
fit_kit_stratified_rclr()
Fit kit-stratified rCLR centering sets.
fit_kme_witness()
Fit kernel mean-embedding witness-at-a-point discriminator
fit_logistic_normal_eb()
Fit frozen logistic-normal empirical-Bayes prior from training data
fit_lrt_bw()
Fit a Bures-Wasserstein Gaussian-OT class-conditional LRT discriminator
fit_lrt_copula()
Fit class-conditional Gaussian-copula LRT discriminator
fit_lrt_deepmaha()
Fit the deep-feature class-conditional Mahalanobis LRT discriminator
fit_lrt_nbkde()
Fit per-feature KDE naive-Bayes class-conditional LRT discriminator
fit_lrt_tcopula()
Fit class-conditional Student-t-copula LRT discriminator
fit_lrt_vinecopula()
Fit class-conditional vine-copula LRT discriminator
fit_man_nystrom()
Fit a Nystrom diffusion-map discriminator on frozen landmarks
fit_mixed_effects_scorer()
Fit disease weights from a cohort/provenance mixed-effects model
fit_moe_gated()
Fit the self-gated mixture-of-experts single-sample discriminator
fit_ot_lot()
Fit a linearized-optimal-transport (CDT tangent) LRT discriminator
fit_ot_slicedlrt()
Fit sliced random-projection Gaussian LRT discriminator
fit_platt_scaling()
Platt Scaling (Logistic Calibration)
fit_proto_net()
Fit the prototypical-network single-sample discriminator
fit_reo_ktsp()
Fit REO-kTSP within-sample pair-order discriminator
fit_reo_metaktsp()
Fit REO-MetaKTSP meta-analytic pair-order discriminator
fit_reo_pairratio()
Fit REO-pairratio within-sample log-ratio discriminator
fit_reo_rankboost()
Fit boosted rank trees external competitor
fit_reo_rankforest()
Fit a random rank forest external competitor
fit_reo_singscore()
Fit REO-singscore within-sample rank discriminator
fit_reo_ucell()
Fit REO-UCell within-sample rank discriminator
fit_rin_weighted_reference()
Fit a RIN-weighted frozen reference profile on training samples only.
fit_robust_pca_residual()
Fit a MAD-scaled SVD residual filter for batch correction
fit_sel_stablemate()
Fit StableMate stable-predictor discriminator (transfer at training, single-sample at inference)
fit_sig_path()
Fit the truncated path-signature single-sample discriminator
fit_singlesample_selector() print(<singlesample_selector_set>) print(<singlesample_selector_ineligible>)
Fit a leakage-resistant single-sample method selector
fit_sinkhorn_ot_scorer()
Fit Sinkhorn OT cohort barycenter scorer.
fit_sinkhorn_single()
Fit the forced-single-sample entropic-OT (Sinkhorn) negative control
fit_ss_struct_ilr()
Fit the structurally-informed ILR single-sample scorer (ss-struct-ilr)
fit_ssl_vicreg()
Fit the VICReg self-supervised single-sample discriminator
fit_tabdpt()
Fit the TabDPT in-context discriminator (freeze the training context)
fit_tabicl()
Fit the TabICL in-context discriminator (freeze the training context)
fit_tabpfn()
Fit the TabPFN-v2 in-context discriminator (freeze the training context)
fit_tda_ph()
Fit topological persistence-image (tda-ph) within-sample discriminator
fit_tech_residualized_alr()
Fit technology-residualized ALR
fit_tech_stratified_rclr()
Fit technology-stratified rCLR centering moments
fit_temperature_scaling()
Temperature Scaling
fit_unc_sngp()
Fit the spectral-normalized neural Gaussian process discriminator (SNGP)
fit_ws_balance_ilr()
Fit within-cohort ILR balance discriminator
fit_ws_rclr_panel()
Fit a training-frozen trimmed-rCLR signed-panel score
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_gold_standard()
Generate Gold Standard Synthetic Dataset
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
hemolysis-correction
Hemolysis-Aware Corrections for Biomarker Panels
hemolysis_index_blondal()
Blondal hemolysis index (log miR-451a - log miR-23a-3p)
hemolysis_proxy_score()
Hemolysis Proxy Score
image-encodings
Image Encoding Methods for Biomarker Panels
import_mlr3torch_checkpoint()
Import mlr3torch Checkpoint
import_omicfit_checkpoint()
Import mlr3torch Checkpoint into OmicFit
impute_within_fold()
Within-Fold Median Imputation (Leakage-Free)
interpretability
Model Interpretability for OmicSelector
is_singlesample_deployable()
Check whether a deployment scorer is single-sample deployable
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_catboost_learner()
Create a CatBoost Learner
make_fttransformer_learner() make_tabtransformer_learner()
Create an FT-Transformer Learner
make_gnn_learner()
Create GNN Learner for Pathway-Aware Classification
make_gof_filter()
Create GOF Filter
make_mlp_learner()
Make MLP Learner (Alias)
make_ratio_image()
Create Pairwise Ratio Image from Expression Vector
make_ratio_images()
Batch-Create Ratio Images from an Expression Matrix
make_tabm_learner()
Create a TabM Learner
make_tabnet_learner()
Create a TabNet Learner
make_tabpfn_learner()
Create a TabPFN Learner
memoize_with_split()
Memoize Function with Split Context
merge_omics_data()
Merge Multi-Omics Data for Analysis
methods-comparison
Methods Comparison Utilities
mimat_hsa_lookup
MIMAT accession \(\leftrightarrow\) hsa-miR name lookup
mirna_alias_table()
Curated miRNA alias lookup table (miRBase v22.1)
model-export
Model Export for OmicSelector
multi-omics
Multi-Omics Support for OmicSelector
noise_augment()
Gaussian Noise Augmentation
omic_benchmark()
Create benchmark service from OmicPipeline
omic_pipeline()
Quick pipeline creation from data
os_bias_audit()
One-Shot Bias Audit Report
os_bias_audit_report()
Plain-Text Bias-Audit Report
os_bias_floor_auc()
Dataset-Identity AUC ("Bias Floor")
os_calibrated_brier()
Compute Apparent or Cross-Fitted Calibrated Brier Score
os_claim_gate()
Claim Gate for Panel-Null Benchmarks
os_clustered_bootstrap_auc()
Clustered Bootstrap CI for AUC
os_conformal_anomaly()
Compute conformal anomaly p-value for new samples
os_conformal_anomaly_score()
Conformal Healthy-Reference Anomaly Score
os_covariate_only_auc()
Covariate-Only AUC
os_detect_cross_cohort_duplicates()
Specimen-Duplication Detection Across Cohorts
os_grouped_resample_auc()
Estimate AUC over Grouped Resampling Folds
os_identifiability_gate()
Apply a Fail-Closed Identifiability Gate
os_ktsp_fit()
Fit a Top-k Oriented-Pair Panel Scorer
os_log_transform_adaptive()
Adaptive Pseudocount log2 Transform
os_mahalanobis_score()
Mahalanobis Anomaly Score from a Reference Set
os_make_grouped_stratified_folds()
Build Grouped Stratified Folds
os_mde_margin_record()
Create an MDE/Margin Record
os_null_qc()
Validate a Random-Panel Null Benchmark
os_oof_pipeline_compare()
Out-of-Fold Pipeline Comparison
os_operating_point_gate()
Fail-Closed Operating-Point Gate
os_operating_points()
Compute Binary Clinical Operating Points
os_paired_delong()
Paired DeLong Test for AUC Comparison
os_panel_null_benchmark()
Matched Random-Panel Null Benchmark
os_per_feature_batch_signal()
Per-Feature Batch-vs-Case Signal Partitioning
os_plate_median_frozen
Frozen Plate-Median Correction
os_provenance_floor_suite()
Estimate a Provenance-Only Prediction Floor
os_provenance_preflight()
Single-sample specimen-overlap provenance pre-flight gate
os_required_margin()
Required Margin for Matched-Null Claims
os_singscore()
Score a Direction-Split Panel by Within-Sample Ranks
os_terminal_gate_ledger()
Build a Terminal Gate Ledger
os_validate_folds()
Validate Grouped Folds
os_within_provenance_blocks()
Summarize Within-Provenance Case-Control Blocks
parallel
Parallelization Support for OmicSelector
partial_dependence()
Compute Partial Dependence
plot_signature_tradeoffs()
Plot Signature Selection Trade-offs
plot_xai_importance()
Plot XAI Feature Importance
predict(<os_ktsp_model>)
Predict from a Top-k Oriented-Pair Panel Scorer
predict_biofluid_anchor_rclr()
Predict biofluid-stable anchor rCLR scores
predict_biofluid_residualized_alr()
Predict biofluid-residualized ALR scores
predict_biofluid_stratified_rclr()
Predict biofluid-stratified rCLR scores
predict_block_fe_rclr()
Predict with a fitted block rCLR scorer
predict_clr_mlp()
Predict with a CLR + MLP Classifier
predict_codacore()
Predict with a CoDaCoRe Classifier
predict_cohort_z_then_pool_score()
Predict with a fitted cohort-z scorer
predict_cross_tech_harmonized_rclr()
Predict cross-technology harmonized rCLR scores
predict_mixed_effects_scorer()
Predict a mixed-effects panel score without reading test labels
predict_tech_residualized_alr()
Predict technology-residualized ALR scores
predict_tech_stratified_rclr()
Predict technology-stratified rCLR scores
predict_weighted_clr_mlp()
Predict with a Weighted CLR + MLP Classifier
preprocess_inverse_log()
Inverse-log preprocessor for pre-log-transformed microarray deposits
print(<CalibrationResult>)
Print method for CalibrationResult
print(<CorrelationCheck>)
Print Correlation Check
print(<FeatureImportance>)
Print Feature Importance
print(<NestedCVResult>)
Print method for NestedCVResult
print(<NogueiraStability>)
Print method for NogueiraStability
print(<OmicBenchmarkResult>)
Print method for OmicBenchmarkResult
print(<OmicFit>)
Print method for OmicFit
print(<OmicsInput>)
Print method for OmicsInput
print(<ReportData>)
Print method for ReportData
print(<SignatureSelectionResult>)
Print Method for Signature Selection Result
print(<singlesample_deployable>)
Print a single-sample deployment object
print(<singlesample_selector>)
Print a single-sample selector
print_shap_warnings()
Print SHAP Warnings Report
print_xai_summary()
Print XAI Summary
provenance_aware_scoring
Provenance-aware within-sample scoring methods
qpcr_nondetect_impute()
Bayesian hierarchical imputation of qPCR non-detects
qpcr_nondetect_lod_fallback()
Limit-of-detection fallback imputation for qPCR non-detects
ratio-image-cnn
Ratio Image CNN for Biomarker Panel Classification
register_coda_feature_selection_filters()
Register CoDA Feature Selection Filters
register_gof_filters()
Register GOF Filters in mlr3
reliability_diagram_data()
Create Reliability Diagram Data
report
TRIPOD+AI Report Generation for OmicSelector
reset_parallel()
Reset Parallelization to Sequential
resolve_hsa_to_mimat()
Resolve canonical hsa-miR-* names to MIMAT accession IDs
resolve_mimat_to_hsa()
Resolve MIMAT accession IDs to canonical hsa-miR-* names
resolve_mirna_aliases()
Resolve miRNA identifiers to a canonical namespace
run_bayesian_benchmark()
Run Bayesian Optimization Benchmark
run_dl_benchmark()
Deep Learning Benchmark
safe-evaluation
Safe Evaluation Utilities for Biomarker Validation
safe-preprocessing
Safe Preprocessing Utilities for Cross-Validation
safe_auc()
Safe AUC with Confidence Interval
safe_roc()
Safe ROC Computation (Direction-Guarded)
score_ai_scarf()
Score the SCARF self-supervised contrastive single-sample discriminator
score_bal_selbal()
Score selbal-selected single-balance discriminator
score_baseline_rclr()
Score baseline robust CLR for provenance-aware benchmark comparisons
score_biofluid_anchor_rclr()
Score biofluid-stable anchor rCLR
score_biofluid_residualized_alr()
Score biofluid-residualized ALR
score_biofluid_stratified_rclr()
Score biofluid-stratified rCLR
score_block_fe_rclr()
Score with provenance-block fixed-effect rCLR centering
score_cluster_robust_ensemble()
Score a cluster-robust ensemble of rCLR, ALR, and ILR-style components
score_coda_codacore()
Score the CoDaCoRe stagewise log-ratio-balance discriminator (pure base R)
score_coda_deepcoda()
Score the DeepCoDA zero-sum log-contrast single-sample discriminator
score_cohort_z_then_pool_score()
Score a panel after cohort-wise robust z-standardization
score_combat_seq_then_rclr()
Optional ComBat-seq followed by rCLR scoring.
score_conf_mondrian()
Score Mondrian-conformal class-conditional LRT discriminator
score_cross_tech_harmonized_rclr()
Score cross-technology harmonized rCLR
score_cvae()
Score the counterfactual class-conditional VAE single-sample discriminator
score_dacvae()
Score the DA-cVAE single-sample disease discriminator
score_dacvae_novelty()
Score the DA-cVAE single-sample novelty (out-of-distribution) capability
score_dann()
Score the DANN domain-adversarial cross-cohort single-sample discriminator
score_dg_fishr()
Score the Fishr cross-cohort transfer single-sample discriminator
score_dg_ibirm()
Score the IB-IRM cross-cohort transfer single-sample discriminator
score_dre_ulsif()
Score the uLSIF density-ratio LRT discriminator
score_dro_group()
Score the Group-DRO kit x biofluid robust discriminator
score_dro_vrex()
Score the V-REx cross-cohort transfer single-sample discriminator
score_ecod_copod()
Score the ECOD + COPOD novelty discriminator
score_frac_mfdfa()
Score MFDFA spectrum (frac-mfdfa) within-sample discriminator
score_group_dro_scorer()
Score held-out samples with a frozen Group-DRO scorer.
score_gsp_gft()
Score specimens with a frozen graph-Fourier discriminator
score_hemolysis_kit_dual_anchor()
Score a panel against the dual hemolysis plus kit-stable denominator.
score_icp()
Score Invariant Causal Prediction discriminator (single-sample)
score_ig_fisherrao()
Score Fisher-Rao geodesic class-conditional LRT discriminator
score_img_gasfcnn()
Score the GASF-image CNN single-sample discriminator (forced row-by-row)
score_inv_css()
Score curvature-scale-space (inv-css) within-sample discriminator
score_inv_fdaqf()
Score quantile-function FDA (inv-fdaqf) within-sample discriminator
score_inv_glcm()
Score GLCM Haralick texture (inv-glcm) within-sample discriminator
score_inv_olbp()
Score ordinal Local Binary Pattern (inv-olbp) within-sample discriminator
score_inv_scatter()
Score the 1D wavelet-scattering discriminator (forced row-by-row)
score_kit_fe_adjusted_alr()
Score kit fixed-effect adjusted ALR.
score_kit_orthogonal_ilr()
Score kit-orthogonal ILR-like residualized panel.
score_kit_residual_mad()
Score kit-residual MAD.
score_kit_stable_anchor_rclr()
Score a panel against train-only kit-stable anchors.
score_kit_stratified_rclr()
Score kit-stratified rCLR.
score_kme_witness()
Score kernel mean-embedding witness-at-a-point discriminator
score_lrt_bw()
Score a Bures-Wasserstein Gaussian-OT class-conditional LRT discriminator
score_lrt_copula()
Score class-conditional Gaussian-copula LRT discriminator
score_lrt_deepmaha()
Score the deep-feature class-conditional Mahalanobis LRT discriminator
score_lrt_nbkde()
Score per-feature KDE naive-Bayes class-conditional LRT discriminator
score_lrt_tcopula()
Score class-conditional Student-t-copula LRT discriminator
score_lrt_vinecopula()
Score class-conditional vine-copula LRT discriminator
score_man_nystrom()
Score specimens with a frozen Nystrom diffusion-map discriminator
score_mixed_effects_scorer()
Score with the mixed-effects scorer
score_moe_gated()
Score the self-gated mixture-of-experts single-sample discriminator
score_ot_lot()
Score a linearized-optimal-transport (CDT tangent) LRT discriminator
score_ot_slicedlrt()
Score sliced random-projection Gaussian LRT discriminator
score_platelet_exclusion_rclr()
Score rCLR after excluding blood-cell-derived miRNAs
score_proto_net()
Score the prototypical-network single-sample discriminator
score_rclr_baseline()
Baseline rCLR panel sum using the standard trimmed denominator.
score_reo_ktsp()
Score REO-kTSP within-sample pair-order votes
score_reo_metaktsp()
Score REO-MetaKTSP within-sample pair-order votes
score_reo_pairratio()
Score REO-pairratio within-sample log-ratio discriminator
score_reo_rankboost()
Score boosted rank trees one specimen at a time
score_reo_rankforest()
Score a random rank forest one specimen at a time
score_reo_singscore()
Score REO-singscore within-sample rank signature
score_reo_ucell()
Score REO-UCell within-sample rank signature
score_rin_weighted_score()
Score a panel against a RIN-weighted frozen training reference profile.
score_sel_stablemate()
Score StableMate stable-predictor discriminator (single-sample)
score_sig_path()
Score the truncated path-signature discriminator (pure base R, row-by-row)
score_singlesample_selector()
Score specimens with a frozen single-sample selector
score_sinkhorn_ot_scorer()
Score projected samples by summing panel features.
score_sinkhorn_single()
Score the forced-single-sample entropic-OT (Sinkhorn) negative control
score_specimen()
Score new specimens with a frozen single-sample deployment object
score_ss_struct_ilr()
Score the structurally-informed ILR single-sample scorer (ss-struct-ilr)
score_ssl_vicreg()
Score the VICReg self-supervised single-sample discriminator
score_tabdpt()
Score the TabDPT in-context discriminator (default row-by-row)
score_tabicl()
Score the TabICL in-context discriminator (default row-by-row)
score_tabpfn()
Score the TabPFN-v2 in-context discriminator (default row-by-row)
score_tda_ph()
Score topological persistence-image (tda-ph) within-sample discriminator
score_tech_residualized_alr()
Score technology-residualized ALR
score_tech_stratified_rclr()
Score technology-stratified rCLR
score_unc_sngp()
Score the spectral-normalized neural Gaussian process discriminator (SNGP)
score_ws_balance_ilr()
Score within-cohort ILR balance discriminator
score_ws_rclr_panel()
Score specimens with a frozen trimmed-rCLR signed panel
select_best_signature()
Select Best Biomarker Signature from Nested CV Results
select_cross_tech_anchor_features()
Select cross-technology anchor features on a training pool
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
singlesample-additional-within-sample
Single-sample additional within-sample methods (Module A, P2)
singlesample-batch-correction
Single-sample batch-correction methods (Module C)
singlesample-coda-codacore
CoDaCoRe stagewise log-ratio-balance single-sample discriminator (torch relaxation at fit, frozen discrete balances, PURE-R score)
singlesample-cvae
Counterfactual class-conditional VAE single-sample discriminator
singlesample-dacvae
Domain-adversarial conditional VAE single-sample discriminator (DA-cVAE)
singlesample-dann
DANN (domain-adversarial) cross-cohort transfer discriminator
singlesample-deepcoda
DeepCoDA zero-sum log-contrast bottleneck + self-explaining head (single-sample)
singlesample-deepmaha
Deep-feature class-conditional Mahalanobis LRT (learned frozen embedding)
singlesample-dg-fishr
Fishr (gradient-variance matching) cross-cohort transfer discriminator
singlesample-dg-ibirm
IB-IRM (Information-Bottleneck Invariant Risk Minimization) cross-cohort transfer discriminator
singlesample-dro-group
Group-DRO kit x biofluid robust discriminator (canonical single-sample wrapper)
singlesample-ecod-copod
ECOD + COPOD novelty discriminator (single-sample, frozen-ECDF)
singlesample-hemolysis
Single-sample robust-regression hemolysis correction (Module B)
singlesample-img-gasfcnn
GASF-image CNN single-sample discriminator (frozen-BatchNorm, python-at-score)
singlesample-inv-scatter
1D wavelet-scattering single-sample discriminator (python-at-score, frozen head)
singlesample-matched-null
Single-sample matched-null benchmark for panel-vs-random-panel AUC inference
singlesample-moe-gated
Self-gated mixture of frozen experts (MoE-gated), single-sample
singlesample-nondetects
Single-sample qPCR non-detect imputation (Module B add-on)
singlesample-outlier-detection
Single-sample outlier detection and conformal claim-gating (Module D)
singlesample-preprocessing
Single-sample preprocessing utilities
singlesample-protonet
Prototypical-network single-sample discriminator (frozen class prototypes)
singlesample-scarf
SCARF self-supervised contrastive single-sample discriminator (frozen linear head)
singlesample-sig-path
Truncated path-signature single-sample discriminator (pure base-R, frozen head)
singlesample-sinkhorn-single
Forced-single-sample entropic-OT (Sinkhorn) negative control
singlesample-sngp
Spectral-normalized neural Gaussian process, distance-aware logit (SNGP)
singlesample-tabdpt
TabDPT in-context tabular-foundation discriminator (conditional single-sample)
singlesample-tabicl
TabICL in-context tabular-foundation discriminator (conditional single-sample)
singlesample-tabpfn
TabPFN-v2 in-context foundation-model discriminator (conditional single-sample)
singlesample-vicreg
VICReg self-supervised embedding + frozen linear-probe discriminator
singlesample-vrex
V-REx (Variance Risk Extrapolation) cross-cohort transfer discriminator
singlesample-within-sample
Single-sample within-sample compositional methods (Module A, P1)
singlesample_adjust_relevance_by()
Adjust the frozen directional relevance family with BY
singlesample_adjust_zero_by()
Adjust the frozen zero-difference test family with BY
os_fit_dann_kit_extended() os_score_dann_kit_extended() os_transform_dann_kit_extended() os_fit_kit_conditional_vae() os_score_kit_conditional_vae() os_transform_kit_conditional_vae() os_fit_icp_per_kit() os_score_icp_per_kit() os_predict_icp_per_kit_details() os_fit_group_dro_scorer() os_score_group_dro_scorer() os_fit_sinkhorn_ot_scorer() os_apply_sinkhorn_ot_scorer() os_score_sinkhorn_ot_scorer()
Advanced single-sample learned and transport scorers
singlesample_assert_method_bank_exports()
Assert that single-sample method-bank functions are present and exported
singlesample_assert_row_equivariant()
Assert that a scorer is row-equivariant (single-sample deployable)
singlesample_bh_fdr_correct_blocked()
Block-aware two-stage BH-FDR for specimen-shared cohort clusters
singlesample_bh_fdr_correct_matched_null()
BH-FDR correction within a matched-null modality family
singlesample_complete_support_panels()
Construct fixed eligibility-only complete-support panels
singlesample_corrected_repeated_cv()
Corrected repeated-CV inference for a paired method effect
singlesample_external_competitor_roster()
External rank-tree competitor registry
singlesample_hanley_mcneil_auc_ci()
Hanley-McNeil 1982 AUC confidence interval
singlesample_holm_correct_familywise()
Holm correction for family-wise method contrasts
singlesample_is_row_equivariant()
Test whether a scorer is row-equivariant (non-throwing)
singlesample_make_loco_splits()
Build leave-one-cohort-out splits with same-block exclusion
singlesample_make_locto_splits()
Build leave-one-cancer-type-out splits with same-block exclusion
singlesample_matched_null_benchmark()
Single-sample matched-null benchmark for within-sample miRNA panel scoring
singlesample_matched_null_benchmark_cv()
5-fold nested-CV matched-null benchmark
singlesample_matched_pair_auc()
Matched AUC difference across repeated CV strata
singlesample_method_bank()
Single-sample method-bank registry
singlesample_method_roster()
Amendment #4 method roster (frozen expansion)
singlesample_paired_auc_diff_se()
Paired DeLong SE for single-sample AUC lift
singlesample_register_score_adapter()
Register a non-canonical score adapter for a roster method
singlesample_score_call()
Score a roster method with the canonical single-sample interface
singlesample_selector_candidates()
Eligible methods for the single-sample selector
singlesample_technology_lift_delong()
Paired DeLong SE for technology-aware transfer lift
singlesample_within_method_pairs()
Enumerate frozen within-method pairs
smote_augment()
SMOTE Augmentation for Omics Data
stability
Nogueira Stability Index for Feature Selection
stack_omics()
Create Multi-Omics Stacked Ensemble (Convenience Function)
standardize_within_fold()
Within-Fold Standardization (Leakage-Free)
tabddpm_generate()
TabDDPM Synthetic Data Generator
technology_aware_scoring
Technology-aware within-sample scoring methods
test_noninferiority()
Paired DeLong Non-Inferiority Test
torch-checkpoint
mlr3torch Checkpoint Utilities
torch-learners
mlr3torch Learner Integration for OmicSelector
train_clr_mlp()
Train a CLR + MLP Classifier
train_codacore()
Train a CoDaCoRe Classifier
train_ratio_cnn()
Train Ratio Image CNN
train_ratio_cnn_multiseed()
Train Ratio CNN Across Three Default Seeds
train_weighted_clr_mlp()
Train a Weighted CLR + MLP Classifier
validate_omics_input()
Validate Multi-Omics Input
validate_synthetic()
Validate Synthetic Data Quality
weighted_clr_transform()
Weighted Centered Log-Ratio Transformation
with_parallel()
With Parallel Scope
within-sample
Within-Sample Normalization for Biomarker Panels
ws_alr_pivot()
Additive log-ratio with a frozen pivot pool
ws_balance_ilr()
Isometric log-ratio balances on a frozen partition tree
ws_default_pivot_pool()
Default ALR pivot pool for circulating-miRNA panels (v1)
ws_default_sbp()
Default circulating-miRNA sequential binary partition (v1)
ws_dominance_flag()
Flag samples whose dominance score exceeds a calibrated threshold
ws_dominance_score()
Panel-internal dominance score (within-sample QC)
ws_logratio()
Within-Sample Pairwise Log-Ratio Features
ws_mad_logratio()
Median-centred log-ratio with optional MAD scaling
ws_minmax()
Within-Sample Min-Max Normalization
ws_perturbation_benchmark()
Within-Sample Perturbation Benchmark
ws_rank()
Within-Sample Rank Normalization
ws_ratio_image()
Within-Sample Pairwise Ratio Image
ws_rclr_trimmed()
Robust trimmed centred log-ratio for compositional miRNA panels
ws_zscore()
Within-Sample Z-Score Normalization
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