Index

_

__init__() (xpectra.AbstainingClassifier method) (xpectra.CalibratedModel method) (xpectra.Energy method) (xpectra.Entropy method) (xpectra.KNNDistance method) (xpectra.Mahalanobis method) (xpectra.MaxSoftmax method) (xpectra.SpectralAngleScorer method) (xpectra.TemperatureScaler method) (xpectra.TrustConfig method)

A

ABSTAIN (xpectra.AbstainingClassifier attribute) (xpectra.ood.AbstainingClassifier attribute) AbstainingClassifier (class in xpectra) (class in xpectra.ood) achieved_coverage() (xpectra.AbstainingClassifier method) (xpectra.ood.AbstainingClassifier method)

add_noise() (in module xpectra.ood) align_features_to_artifact() (in module xpectra.pipeline.core) artifact_matches() (in module xpectra.pipeline.core) artifact_path() (in module xpectra.pipeline.core) aurc() (in module xpectra) (in module xpectra.metrics) available_models() (in module xpectra.pipeline.core)

B

band_area() (in module xpectra) (in module xpectra.weathering) baseline_drift() (in module xpectra.ood) baseline_method (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

block_scramble() (in module xpectra.ood) build_processed_routes() (in module xpectra.pipeline.build_db) build_routes() (in module xpectra.pipeline.build_db)

C

cache_dir (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) CalibratedModel (class in xpectra) (class in xpectra.calibration) calibration_methods (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) carbonyl_band (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) carbonyl_index() (in module xpectra) (in module xpectra.weathering)

ci_boxplot() (in module xpectra.plotting) ci_vs_confidence() (in module xpectra.plotting) combine_method (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) combine_normalized_to_grid() (in module xpectra.pipeline.core) config_with_overrides() (in module xpectra.pipeline.core) cv_folds (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute)

D

dedupe_spectra (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) denoising_method (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) derivative_delta (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) derivative_polyorder (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

derivative_route_dataframe() (in module xpectra.pipeline.core) derivative_window_length (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) descending (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) duplicate_report() (in module xpectra.pipeline.build_db)

E

ece_bins (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) Energy (class in xpectra) (class in xpectra.ood) ensure_dirs() (xpectra.config.TrustConfig method) (xpectra.TrustConfig method) ensure_prediction_metadata() (in module xpectra.pipeline.core) Entropy (class in xpectra) (class in xpectra.ood)

evaluate_holdout() (in module xpectra.pipeline.core) exclude_regions (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) expected_calibration_error() (in module xpectra) (in module xpectra.metrics) external_studies (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

F

figures_dir (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) fit() (xpectra.CalibratedModel method) (xpectra.calibration.CalibratedModel method) (xpectra.calibration.TemperatureScaler method) (xpectra.Energy method) (xpectra.Entropy method) (xpectra.KNNDistance method) (xpectra.Mahalanobis method) (xpectra.MaxSoftmax method) (xpectra.ood.Energy method) (xpectra.ood.Entropy method) (xpectra.ood.KNNDistance method) (xpectra.ood.Mahalanobis method) (xpectra.ood.MaxSoftmax method) (xpectra.ood.OODScorer method) (xpectra.ood.SpectralAngleScorer method) (xpectra.SpectralAngleScorer method) (xpectra.TemperatureScaler method)

fit_final_model() (in module xpectra.pipeline.core) fit_tau() (xpectra.AbstainingClassifier method) (xpectra.ood.AbstainingClassifier method) flat_windows (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) force_absorbance_input() (in module xpectra.pipeline.core)

G

gap_barplot() (in module xpectra.plotting)

get_estimator() (in module xpectra.protocols)

I

interpolate_method (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

interpolate_regions (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) is_wavenumber_column() (in module xpectra.pipeline.core)

K

knn_k (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute)

KNNDistance (class in xpectra) (class in xpectra.ood)

L

label_column (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) label_spread() (in module xpectra) (in module xpectra.ssl) label_spread_neighbors (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) labeled_studies (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) leave_one_class_out() (in module xpectra) (in module xpectra.data) load_artifacts() (in module xpectra.pipeline) (in module xpectra.pipeline.core)

load_dataset_frame() (in module xpectra.pipeline.build_db) load_external() (in module xpectra) (in module xpectra.data) load_labeled() (in module xpectra) (in module xpectra.data) load_training_dataframe() (in module xpectra.pipeline.core) load_unknown() (in module xpectra) (in module xpectra.data) loso_splits() (in module xpectra) (in module xpectra.data)

M

Mahalanobis (class in xpectra) (class in xpectra.ood) make_artifact() (in module xpectra.pipeline.core) make_base_pipeline() (in module xpectra.calibration) make_prediction_route_dataframes() (in module xpectra.pipeline) (in module xpectra.pipeline.core) map_polymer_type() (in module xpectra.pipeline.core) MaxSoftmax (class in xpectra) (class in xpectra.ood) metadata_frame() (in module xpectra.pipeline.core) model_names (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) module xpectra.calibration xpectra.config xpectra.data xpectra.metrics xpectra.ood xpectra.pipeline xpectra.pipeline.build_db xpectra.pipeline.config xpectra.pipeline.core xpectra.plotting xpectra.protocols xpectra.ssl xpectra.weathering

multiclass_brier() (in module xpectra) (in module xpectra.metrics)

N

n_jobs (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) name (xpectra.Energy attribute) (xpectra.Entropy attribute) (xpectra.KNNDistance attribute) (xpectra.Mahalanobis attribute) (xpectra.MaxSoftmax attribute) (xpectra.ood.Energy attribute) (xpectra.ood.Entropy attribute) (xpectra.ood.KNNDistance attribute) (xpectra.ood.Mahalanobis attribute) (xpectra.ood.MaxSoftmax attribute) (xpectra.ood.OODScorer attribute) (xpectra.ood.SpectralAngleScorer attribute) (xpectra.SpectralAngleScorer attribute)

normalization_method (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) normalize_routes() (in module xpectra.pipeline.core)

O

OODScorer (class in xpectra.ood)

P

pca_components_ood (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) pca_components_ssl (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) predict() (xpectra.AbstainingClassifier method) (xpectra.CalibratedModel method) (xpectra.calibration.CalibratedModel method) (xpectra.ood.AbstainingClassifier method) predict_csv() (in module xpectra.pipeline) (in module xpectra.pipeline.core)

predict_proba() (xpectra.CalibratedModel method) (xpectra.calibration.CalibratedModel method) predict_with_artifact() (in module xpectra.pipeline.core) preprocess_raw_dataframe() (in module xpectra.pipeline.core) PreprocessConfig (class in xpectra.pipeline) (class in xpectra.pipeline.config) processed_dir (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute)

R

random_state (xpectra.config.TrustConfig attribute) (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) (xpectra.TrustConfig attribute) read_csv() (in module xpectra.pipeline.core) read_external_frames() (in module xpectra.pipeline.build_db) read_frames() (in module xpectra.pipeline.build_db) reference_band (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) reliability_curve() (in module xpectra) (in module xpectra.calibration)

reliability_diagram() (in module xpectra.plotting) resolution (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) results_dir (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) risk_coverage() (in module xpectra) (in module xpectra.metrics) risk_coverage_plot() (in module xpectra.plotting) routes (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) run_calibration_eval() (in module xpectra.protocols) run_generalization() (in module xpectra.protocols)

S

safe_name() (in module xpectra.pipeline) (in module xpectra.pipeline.core) sample_id_column (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) score() (xpectra.Energy method) (xpectra.Entropy method) (xpectra.KNNDistance method) (xpectra.Mahalanobis method) (xpectra.MaxSoftmax method) (xpectra.ood.Energy method) (xpectra.ood.Entropy method) (xpectra.ood.KNNDistance method) (xpectra.ood.Mahalanobis method) (xpectra.ood.MaxSoftmax method) (xpectra.ood.OODScorer method) (xpectra.ood.SpectralAngleScorer method) (xpectra.SpectralAngleScorer method)

select_models() (in module xpectra.pipeline.core) selective_metrics_at_coverage() (in module xpectra) (in module xpectra.metrics) self_train() (in module xpectra) (in module xpectra.ssl) self_train_max_iter (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) self_train_threshold (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) set_score_request() (xpectra.CalibratedModel method) (xpectra.calibration.CalibratedModel method) spectral_columns_sorted() (in module xpectra.pipeline.core) SpectralAngleScorer (class in xpectra) (class in xpectra.ood) ssl_loso_experiment() (in module xpectra) (in module xpectra.ssl)

T

target_coverage (xpectra.config.TrustConfig attribute) (xpectra.TrustConfig attribute) tau_ (xpectra.ood.AbstainingClassifier attribute) TemperatureScaler (class in xpectra) (class in xpectra.calibration) test_size (xpectra.config.TrustConfig attribute) (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) (xpectra.TrustConfig attribute)

to_dict() (xpectra.pipeline.config.PreprocessConfig method) (xpectra.pipeline.PreprocessConfig method) train_route() (in module xpectra.pipeline.core) train_routes() (in module xpectra.pipeline) (in module xpectra.pipeline.core) training_arrays() (in module xpectra.pipeline.core) transform() (xpectra.calibration.TemperatureScaler method) (xpectra.TemperatureScaler method) TrustConfig (class in xpectra) (class in xpectra.config)

U

umap_overlay() (in module xpectra.plotting) unknown_composition() (in module xpectra) (in module xpectra.weathering)

unknown_study (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

W

weathering_report() (in module xpectra) (in module xpectra.weathering) wn_max (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute)

wn_min (xpectra.pipeline.config.PreprocessConfig attribute) (xpectra.pipeline.PreprocessConfig attribute) write_routes() (in module xpectra.pipeline.build_db)

X

xpectra.calibration module xpectra.config module xpectra.data module xpectra.metrics module xpectra.ood module xpectra.pipeline module xpectra.pipeline.build_db module

xpectra.pipeline.config module xpectra.pipeline.core module xpectra.plotting module xpectra.protocols module xpectra.ssl module xpectra.weathering module