diff --git a/pyproject.toml b/pyproject.toml index 12be92f..f4993bb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,23 +6,14 @@ license = {text = "MIT"} requires-python = ">=3.9" dependencies = [ "plotly<6.0.0,>=5.13.1", - "ipython<9.0.0,>=8.11.0", - "nbformat<6.0.0,>=5.7.3", - "sphinx-autoapi<3.0.0,>=2.1.0", - "sphinx-rtd-theme<2.0.0,>=1.2.0", - "importlib>=1.0.4", - "quartodoc>=0.9.1", - "papermill>=2.6.0", "polars>=1.28.0", - "pyarrow>=20.0.0", - "ty>=0.0.1a5", "pandas>=2.2.3", "typing>=3.7.4.3", "polarstate==0.1.8", "marimo>=0.17.0", ] name = "rtichoke" -version = "0.1.18" +version = "0.1.20" description = "interactive visualizations for performance of predictive models" readme = "README.md" @@ -44,6 +35,7 @@ dev = [ "ty>=0.0.1a12", "scikit-learn>=1.6.1", "polarstate>=0.1.6", + "quartodoc>=0.11.1", ] [tool.uv.workspace] diff --git a/src/rtichoke/__init__.py b/src/rtichoke/__init__.py index c2e04b7..67e35b5 100644 --- a/src/rtichoke/__init__.py +++ b/src/rtichoke/__init__.py @@ -29,10 +29,12 @@ from rtichoke.performance_data.performance_data import ( prepare_performance_data as prepare_performance_data, + prepare_binned_classification_data as prepare_binned_classification_data, ) from rtichoke.performance_data.performance_data_times import ( prepare_performance_data_times as prepare_performance_data_times, + prepare_binned_classification_data_times as prepare_binned_classification_data_times, ) from rtichoke.summary_report.summary_report import ( diff --git a/src/rtichoke/helpers/plotly_helper_functions.py b/src/rtichoke/helpers/plotly_helper_functions.py index 9a65e04..98ffe65 100644 --- a/src/rtichoke/helpers/plotly_helper_functions.py +++ b/src/rtichoke/helpers/plotly_helper_functions.py @@ -53,13 +53,13 @@ def _create_rtichoke_plotly_curve_binary( def _plot_rtichoke_curve_binary( performance_data: pl.DataFrame, - stratified_by: Sequence[str] = ["probability_threshold"], + stratified_by: str = "probability_threshold", curve: str = "roc", size: int = 600, ) -> go.Figure: rtichoke_curve_list = _create_rtichoke_curve_list_binary( performance_data=performance_data, - stratified_by=stratified_by[0], + stratified_by=stratified_by, curve=curve, size=size, ) diff --git a/src/rtichoke/performance_data/performance_data.py b/src/rtichoke/performance_data/performance_data.py index 772de6e..3922723 100644 --- a/src/rtichoke/performance_data/performance_data.py +++ b/src/rtichoke/performance_data/performance_data.py @@ -17,10 +17,76 @@ import numpy as np +def prepare_binned_classification_data( + probs: Dict[str, np.ndarray], + reals: Union[np.ndarray, Dict[str, np.ndarray]], + stratified_by: Sequence[str] = ("probability_threshold",), + by: float = 0.01, +) -> pl.DataFrame: + """ + Prepare probability-binned classification data for binary outcomes. + + This constructs the underlying, binned data across probability thresholds + (and any additional stratification variables). It returns the adjusted data + before cumulative Aalen–Johansen and performance computations. + + Parameters + ---------- + probs : Dict[str, np.ndarray] + Mapping from dataset name to predicted probabilities (1-D numpy arrays). + reals : Union[np.ndarray, Dict[str, np.ndarray]] + True event labels. Can be a single array aligned to pooled probabilities + or a dictionary mapping each dataset name to its true-label array. Labels + are expected to be binary integers (0/1). + stratified_by : Sequence[str], optional + Stratification variables used to create combinations/breaks. Defaults to + ``("probability_threshold",)``. + by : float, optional + Step width for probability-threshold breaks (used to create the grid of + cutoffs). Defaults to ``0.01``. + + Returns + ------- + pl.DataFrame + A Polars DataFrame containing probability-binned classification data + (one row per combination of dataset / bin / strata). This is the basis + for histograms, calibration diagnostics, and performance curves. + """ + breaks = create_breaks_values(None, "probability_threshold", by) + + aj_data_combinations = _create_aj_data_combinations_binary( + list(probs.keys()), + stratified_by=stratified_by, + by=by, + breaks=breaks, + ) + + list_data_to_adjust = _create_list_data_to_adjust_binary( + aj_data_combinations, + probs, + reals, + stratified_by=stratified_by, + by=by, + ) + + adjusted_data = _create_adjusted_data_binary( + list_data_to_adjust, + breaks=breaks, + stratified_by=stratified_by, + ) + + final_adjusted_data = _cast_and_join_adjusted_data_binary( + aj_data_combinations, + adjusted_data, + ) + + return final_adjusted_data + + def prepare_performance_data( probs: Dict[str, np.ndarray], reals: Union[np.ndarray, Dict[str, np.ndarray]], - stratified_by: Sequence[str] = ["probability_threshold"], + stratified_by: Sequence[str] = ("probability_threshold",), by: float = 0.01, ) -> pl.DataFrame: """Prepare performance data for binary classification. @@ -35,7 +101,7 @@ def prepare_performance_data( are expected to be binary integers (0/1). stratified_by : Sequence[str], optional Stratification variables used to create combinations/breaks. Defaults to - ``["probability_threshold"]``. + ``("probability_threshold",)``. by : float, optional Step width for probability-threshold breaks (used to create the grid of cutoffs). Defaults to ``0.01``. @@ -59,26 +125,14 @@ def prepare_performance_data( >>> prepare_performance_data( ... probs_dict_test, ... reals_dict_test, - ... by = 0.1 + ... by=0.1 ... ) """ - - breaks = create_breaks_values(None, "probability_threshold", by) - - aj_data_combinations = _create_aj_data_combinations_binary( - list(probs.keys()), stratified_by=stratified_by, by=by, breaks=breaks - ) - - list_data_to_adjust = _create_list_data_to_adjust_binary( - aj_data_combinations, probs, reals, stratified_by=stratified_by, by=by - ) - - adjusted_data = _create_adjusted_data_binary( - list_data_to_adjust, breaks=breaks, stratified_by=stratified_by - ) - - final_adjusted_data = _cast_and_join_adjusted_data_binary( - aj_data_combinations, adjusted_data + final_adjusted_data = prepare_binned_classification_data( + probs=probs, + reals=reals, + stratified_by=stratified_by, + by=by, ) cumulative_aj_data = _calculate_cumulative_aj_data_binary(final_adjusted_data) diff --git a/src/rtichoke/performance_data/performance_data_times.py b/src/rtichoke/performance_data/performance_data_times.py index 0cc0b9d..55a462d 100644 --- a/src/rtichoke/performance_data/performance_data_times.py +++ b/src/rtichoke/performance_data/performance_data_times.py @@ -29,7 +29,7 @@ def prepare_performance_data_times( "competing_heuristic": "adjusted_as_negative", } ], - stratified_by: Sequence[str] = ["probability_threshold"], + stratified_by: Sequence[str] = ("probability_threshold",), by: float = 0.01, ) -> pl.DataFrame: """Prepare performance data with a time dimension. @@ -50,10 +50,11 @@ def prepare_performance_data_times( heuristics_sets : list[Dict], optional List of heuristic dictionaries controlling censoring/competing-event handling. Default is a single heuristic set: - ``[{"censoring_heuristic": "adjusted", "competing_heuristic": "adjusted_as_negative"}]`` + ``[{"censoring_heuristic": "adjusted", + "competing_heuristic": "adjusted_as_negative"}]`` stratified_by : Sequence[str], optional Stratification variables used to create combinations/breaks. Defaults to - ``["probability_threshold"]``. + ``("probability_threshold",)``. by : float, optional Step width for probability-threshold breaks (used to create the grid of cutoffs). Defaults to ``0.01``. @@ -64,30 +65,84 @@ def prepare_performance_data_times( A Polars DataFrame containing performance metrics computed across probability thresholds and fixed time horizons. Columns include the probability cutoff, fixed time horizon, heuristic identifiers, and AJ-derived performance measures. + """ + # 1. Get the underlying binned time-dependent classification data + final_adjusted_data = prepare_binned_classification_data_times( + probs=probs, + reals=reals, + times=times, + fixed_time_horizons=fixed_time_horizons, + heuristics_sets=heuristics_sets, + stratified_by=stratified_by, + by=by, + risk_set_scope=["pooled_by_cutoff"], + ) + + # 2. Apply AJ cumulative machinery + cumulative_aj_data = _calculate_cumulative_aj_data(final_adjusted_data) - Examples - -------- - >>> import numpy as np - >>> probs_dict_test = { - ... "small_data_set": np.array( - ... [0.9, 0.85, 0.95, 0.88, 0.6, 0.7, 0.51, 0.2, 0.1, 0.33] - ... ) - ... } - >>> reals_dict_test = [1, 1, 1, 1, 0, 2, 1, 2, 0, 1] - >>> times_dict_test = [24.1, 9.7, 49.9, 18.6, 34.8, 14.2, 39.2, 46.0, 31.5, 4.3] - >>> fixed_time_horizons = [10.0, 20.0, 30.0, 40.0, 50.0] - - >>> prepare_performance_data_times( - ... probs_dict_test, - ... reals_dict_test, - ... times_dict_test, - ... fixed_time_horizons, - ... by = 0.1 - ... ) + # 3. Turn AJ output into performance metrics + performance_data = _turn_cumulative_aj_to_performance_data(cumulative_aj_data) + + return performance_data + + +def prepare_binned_classification_data_times( + probs: Dict[str, np.ndarray], + reals: Union[np.ndarray, Dict[str, np.ndarray]], + times: Union[np.ndarray, Dict[str, np.ndarray]], + fixed_time_horizons: list[float], + heuristics_sets: list[Dict] = [ + { + "censoring_heuristic": "adjusted", + "competing_heuristic": "adjusted_as_negative", + } + ], + stratified_by: Sequence[str] = ("probability_threshold",), + by: float = 0.01, + risk_set_scope: Sequence[str] = ["pooled_by_cutoff", "within_stratum"], +) -> pl.DataFrame: """ + Prepare probability-binned, time-dependent classification data. + This constructs the underlying, binned data across probability thresholds, + fixed time horizons, and heuristic sets. It returns the adjusted data + before the cumulative Aalen–Johansen and performance-transformation steps. + + Parameters + ---------- + probs : Dict[str, np.ndarray] + Mapping from dataset name to predicted probabilities (1-D numpy arrays). + reals : Union[np.ndarray, Dict[str, np.ndarray]] + True event labels. Can be a single array aligned to pooled probabilities + or a dictionary mapping each dataset name to its true-label array. Labels + are expected to be integers (e.g., 0/1 for binary, or competing event codes). + times : Union[np.ndarray, Dict[str, np.ndarray]] + Event or censoring times corresponding to `reals`. Either a single array + or a dictionary keyed like `probs` when multiple datasets are provided. + fixed_time_horizons : list[float] + Fixed time horizons (same units as `times`) at which to evaluate performance. + heuristics_sets : list[Dict], optional + List of heuristic dictionaries controlling censoring/competing-event handling. + Default is a single heuristic set: + ``[{"censoring_heuristic": "adjusted", + "competing_heuristic": "adjusted_as_negative"}]`` + stratified_by : Sequence[str], optional + Stratification variables used to create combinations/breaks. Defaults to + ``("probability_threshold",)``. + by : float, optional + Step width for probability-threshold breaks (used to create the grid of + cutoffs). Defaults to ``0.01``. + + Returns + ------- + pl.DataFrame + A Polars DataFrame containing probability-binned, time-dependent + classification data (one row per combination of dataset / bin / + time horizon / heuristic / strata). This is the basis for histograms, + calibration diagnostics, and time-dependent performance curves. + """ breaks = create_breaks_values(None, "probability_threshold", by) - risk_set_scope = ["pooled_by_cutoff"] aj_data_combinations = create_aj_data_combinations( list(probs.keys()), @@ -100,7 +155,12 @@ def prepare_performance_data_times( ) list_data_to_adjust = create_list_data_to_adjust( - aj_data_combinations, probs, reals, times, stratified_by=stratified_by, by=by + aj_data_combinations, + probs, + reals, + times, + stratified_by=stratified_by, + by=by, ) adjusted_data = create_adjusted_data( @@ -113,11 +173,8 @@ def prepare_performance_data_times( ) final_adjusted_data = cast_and_join_adjusted_data( - aj_data_combinations, adjusted_data + aj_data_combinations, + adjusted_data, ) - cumulative_aj_data = _calculate_cumulative_aj_data(final_adjusted_data) - - performance_data = _turn_cumulative_aj_to_performance_data(cumulative_aj_data) - - return performance_data + return 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