tobias/entropice
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Make the training work again

Browse source
This commit is contained in:
Tobias Hölzer 2025-12-11 17:14:02 +01:00
parent 2be2244cdb
commit d22b857722
4 changed files with 156 additions and 133 deletions
Download patch file Download diff file Expand all files Collapse all files

4
src/entropice/darts.py
View file

@ -129,8 +129,8 @@ def extract_darts_mllabels(grid: Literal["hex", "healpix"], level: int):
covered = ~grid_gdf["dartsml_coverage"].isna()
grid_gdf.loc[covered, "dartsml_rts_count"] = grid_gdf.loc[covered, "dartsml_rts_count"].fillna(0.0)
grid_gdf["darts_has_coverage"] = ~grid_gdf["dartsml_coverage"].isna()
grid_gdf["darts_has_rts"] = ~grid_gdf["dartsml_rts_count"].isna()
grid_gdf["dartsml_has_coverage"] = ~grid_gdf["dartsml_coverage"].isna()
grid_gdf["dartsml_has_rts"] = ~grid_gdf["dartsml_rts_count"].isna()
output_path = get_darts_rts_file(grid, level, labels=True)
grid_gdf.to_parquet(output_path)

10
src/entropice/dataset.py
View file

@ -16,6 +16,7 @@ import json
from dataclasses import asdict, dataclass, field
from typing import Literal
import cyclopts
import geopandas as gpd
import pandas as pd
import seaborn as sns
@ -55,14 +56,17 @@ def _get_era5_tempus(df: pd.DataFrame, temporal: Literal["yearly", "seasonal", "
type L2Dataset = Literal["AlphaEarth", "ArcticDEM", "ERA5-yearly", "ERA5-seasonal", "ERA5-shoulder"]
@cyclopts.Parameter("*")
@dataclass
class DatasetEnsemble:
grid: Literal["hex", "healpix"]
level: int
target: Literal["darts_rts", "darts_mllabels"]
members: list[L2Dataset]
dimension_filters: dict[L2Dataset, dict[str, list]] = field(default_factory=dict)
variable_filters: dict[L2Dataset, list[str]] = field(default_factory=dict)
members: list[L2Dataset] = field(
default_factory=lambda: ["AlphaEarth", "ArcticDEM", "ERA5-yearly", "ERA5-seasonal", "ERA5-shoulder"]
)
dimension_filters: dict[str, dict[str, list]] = field(default_factory=dict)
variable_filters: dict[str, list[str]] = field(default_factory=dict)
filter_target: str | Literal[False] = False
add_lonlat: bool = True

26
src/entropice/inference.py
View file

@ -1,16 +1,14 @@
# ruff: noqa: N806
"""Inference runs on trained models."""
from typing import Literal
import geopandas as gpd
import pandas as pd
import torch
from entropy import ESPAClassifier
from rich import pretty, traceback
from sklearn import set_config
from sklearn.base import BaseEstimator
from entropice.paths import get_train_dataset_file
from entropice.dataset import DatasetEnsemble
traceback.install()
pretty.install()
@ -18,32 +16,34 @@ pretty.install()
set_config(array_api_dispatch=True)
def predict_proba(grid: Literal["hex", "healpix"], level: int, clf: ESPAClassifier, classes: list) -> gpd.GeoDataFrame:
def predict_proba(e: DatasetEnsemble, clf: BaseEstimator, classes: list) -> gpd.GeoDataFrame:
"""Get predicted probabilities for each cell.
Args:
grid (Literal["hex", "healpix"]): The grid type to use.
level (int): The grid level to use.
clf (ESPAClassifier): The trained classifier to use for predictions.
e (DatasetEnsemble): The dataset ensemble configuration.
clf (BaseEstimator): The trained classifier to use for predictions.
classes (list): List of class names.
Returns:
list: A list of predicted probabilities for each cell.
"""
data = get_train_dataset_file(grid=grid, level=level)
data = gpd.read_parquet(data)
data = e.create()
print(f"Predicting probabilities for {len(data)} cells...")
# Predict in batches to avoid memory issues
batch_size = 10_000
preds = []
cols_to_drop = ["geometry"]
if e.target == "darts_mllabels":
cols_to_drop += [col for col in data.columns if col.startswith("dartsml_")]
else:
cols_to_drop += [col for col in data.columns if col.startswith("darts_")]
for i in range(0, len(data), batch_size):
batch = data.iloc[i : i + batch_size]
cols_to_drop = ["cell_id", "geometry", "darts_has_rts"]
cols_to_drop += [col for col in batch.columns if col.startswith("darts_")]
X_batch = batch.drop(columns=cols_to_drop).dropna()
cell_ids = batch.loc[X_batch.index, "cell_id"].to_numpy()
cell_ids = X_batch.index.to_numpy()
cell_geoms = batch.loc[X_batch.index, "geometry"].to_numpy()
X_batch = X_batch.to_numpy(dtype="float64")
X_batch = torch.asarray(X_batch, device=0)

249
src/entropice/training.py
View file

@ -2,10 +2,10 @@
"""Training of classification models training."""
import pickle
from dataclasses import asdict, dataclass
from typing import Literal
import cyclopts
import geopandas as gpd
import pandas as pd
import toml
import torch
@ -15,63 +15,85 @@ from cuml.neighbors import KNeighborsClassifier
from entropy import ESPAClassifier
from rich import pretty, traceback
from scipy.stats import loguniform, randint
from scipy.stats._distn_infrastructure import rv_continuous_frozen, rv_discrete_frozen
from sklearn import set_config
from sklearn.model_selection import KFold, RandomizedSearchCV, train_test_split
from stopuhr import stopwatch
from xgboost import XGBClassifier
from entropice.dataset import DatasetEnsemble
from entropice.inference import predict_proba
from entropice.paths import (
get_cv_results_dir,
get_train_dataset_file,
)
from entropice.paths import get_cv_results_dir
traceback.install()
pretty.install()
set_config(array_api_dispatch=True)
cli = cyclopts.App("entropice-training", config=cyclopts.config.Toml("training-config.toml"))
def create_xy_data(grid: Literal["hex", "healpix"], level: int, task: Literal["binary", "count", "density"] = "binary"):
"""Create X and y data from the training dataset.
_metrics = {
"binary": ["accuracy", "recall", "precision", "f1", "jaccard"],
"multiclass": [
"accuracy", # equals "f1_micro", "precision_micro", "recall_micro", "recall_weighted"
"f1_macro",
"f1_weighted",
"precision_macro",
"precision_weighted",
"recall_macro",
"jaccard_micro",
"jaccard_macro",
"jaccard_weighted",
],
}
Args:
grid (Literal["hex", "healpix"]): The grid type to use.
level (int): The grid level to use.
task (Literal["binary", "count", "density"], optional): The classification task type. Defaults to "binary".
Returns:
Tuple[pd.DataFrame, pd.DataFrame, pd.Series, list]: The data, Features (X), labels (y), and label names.
@cyclopts.Parameter("*")
@dataclass
class CVSettings:
n_iter: int = 2000
robust: bool = False
task: Literal["binary", "count", "density"] = "binary"
model: Literal["espa", "xgboost", "rf", "knn"] = "espa"
"""
data = get_train_dataset_file(grid=grid, level=level)
data = gpd.read_parquet(data)
data = data[data["darts_has_coverage"]]
cols_to_drop = ["cell_id", "geometry", "darts_has_rts", "darts_rts_count"]
cols_to_drop += [col for col in data.columns if col.startswith("darts_")]
def _create_xy_data(e: DatasetEnsemble, task: Literal["binary", "count", "density"] = "binary"):
data = e.create()
covcol = "dartsml_has_coverage" if e.target == "darts_mllabels" else "darts_has_coverage"
bincol = "dartsml_has_rts" if e.target == "darts_mllabels" else "darts_has_rts"
countcol = "dartsml_rts_count" if e.target == "darts_mllabels" else "darts_rts_count"
densitycol = "dartsml_rts_density" if e.target == "darts_mllabels" else "darts_rts_density"
data = data[data[covcol]].reset_index(drop=True)
cols_to_drop = ["geometry"]
if e.target == "darts_mllabels":
cols_to_drop += [col for col in data.columns if col.startswith("dartsml_")]
else:
cols_to_drop += [col for col in data.columns if col.startswith("darts_")]
X_data = data.drop(columns=cols_to_drop).dropna()
if task == "binary":
labels = ["No RTS", "RTS"]
y_data = data.loc[X_data.index, "darts_has_rts"]
y_data = data.loc[X_data.index, bincol]
elif task == "count":
# Put into n categories (log scaled)
y_data = data.loc[X_data.index, "darts_rts_count"]
y_data = data.loc[X_data.index, countcol]
n_categories = 5
bins = pd.qcut(y_data, q=n_categories, duplicates="drop").unique().categories
# Change the first interval to start at 1 and add a category for 0
bins = pd.IntervalIndex.from_tuples(
[(-1, 0)] + [(int(interval.left), int(interval.right)) for interval in bins]
)
print(f"{bins=}")
y_data = pd.cut(y_data, bins=bins)
labels = [str(v) for v in y_data.sort_values().unique()]
y_data = y_data.cat.codes
elif task == "density":
y_data = data.loc[X_data.index, "darts_rts_density"]
y_data = data.loc[X_data.index, densitycol]
n_categories = 5
bins = pd.qcut(y_data, q=n_categories, duplicates="drop").unique().categories
# Change the first interval to start at 0
bins = pd.IntervalIndex.from_tuples([(0.0, interval.right) for interval in bins])
print(f"{bins=}")
y_data = pd.cut(y_data, bins=bins)
labels = [str(v) for v in y_data.sort_values().unique()]
y_data = y_data.cat.codes
@ -80,37 +102,11 @@ def create_xy_data(grid: Literal["hex", "healpix"], level: int, task: Literal["b
return data, X_data, y_data, labels
def random_cv(
grid: Literal["hex", "healpix"],
level: int,
n_iter: int = 2000,
robust: bool = False,
task: Literal["binary", "count", "density"] = "binary",
model: Literal["espa", "xgboost", "rf", "knn"] = "espa",
def _create_clf(
settings: CVSettings,
):
"""Perform random cross-validation on the training dataset.
Args:
grid (Literal["hex", "healpix"]): The grid type to use.
level (int): The grid level to use.
n_iter (int, optional): Number of parameter settings that are sampled. Defaults to 2000.
robust (bool, optional): Whether to use robust training. Defaults to False.
task (Literal["binary", "count", "density"], optional): The classification task type. Defaults to "binary".
"""
_, X_data, y_data, labels = create_xy_data(grid=grid, level=level, task=task)
print(f"Using {task}-class classification with {len(labels)} classes: {labels}")
print(f"{y_data.describe()=}")
X = X_data.to_numpy(dtype="float64")
y = y_data.to_numpy(dtype="int8")
X, y = torch.asarray(X, device=0), torch.asarray(y, device=0)
print(f"{X.shape=}, {y.shape=}")
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=42)
print(f"{X_train.shape=}, {X_test.shape=}, {y_train.shape=}, {y_test.shape=}")
if model == "espa":
clf = ESPAClassifier(20, 0.1, 0.1, random_state=42, robust=robust)
if task == "binary":
if settings.model == "espa":
if settings.task == "binary":
param_grid = {
"eps_cl": loguniform(1e-4, 1e1),
"eps_e": loguniform(1e1, 1e7),
@ -122,7 +118,9 @@ def random_cv(
"eps_e": loguniform(1e4, 1e8),
"initial_K": randint(400, 800),
}
elif model == "xgboost":
clf = ESPAClassifier(20, 0.1, 0.1, random_state=42, robust=settings.robust)
fit_params = {"max_iter": 300}
elif settings.model == "xgboost":
param_grid = {
"learning_rate": loguniform(1e-4, 1e-1),
"max_depth": randint(3, 15),
@ -131,57 +129,102 @@ def random_cv(
"colsample_bytree": loguniform(0.5, 1.0),
}
clf = XGBClassifier(
objective="multi:softprob" if task != "binary" else "binary:logistic",
eval_metric="mlogloss" if task != "binary" else "logloss",
objective="multi:softprob" if settings.task != "binary" else "binary:logistic",
eval_metric="mlogloss" if settings.task != "binary" else "logloss",
random_state=42,
tree_method="gpu_hist",
device="cuda",
)
elif model == "rf":
fit_params = {}
elif settings.model == "rf":
param_grid = {
"max_depth": randint(5, 50),
"n_estimators": randint(50, 500),
}
clf = RandomForestClassifier(random_state=42)
elif model == "knn":
fit_params = {}
elif settings.model == "knn":
param_grid = {
"n_neighbors": randint(3, 15),
"weights": ["uniform", "distance"],
"algorithm": ["brute", "kd_tree", "ball_tree"],
}
clf = KNeighborsClassifier(random_state=42)
fit_params = {}
else:
raise ValueError(f"Unknown model: {model}")
raise ValueError(f"Unknown model: {settings.model}")
return clf, param_grid, fit_params
def _serialize_param_grid(param_grid):
param_grid_serializable = {}
for key, dist in param_grid.items():
# ! Hacky, but I can't find a better way to serialize scipy distributions once they are created
if isinstance(dist, rv_continuous_frozen):
param_grid_serializable[key] = {
"distribution": "loguniform",
"low": dist.a,
"high": dist.b,
}
elif isinstance(dist, rv_discrete_frozen):
param_grid_serializable[key] = {
"distribution": "randint",
"low": dist.a,
"high": dist.b,
}
elif isinstance(dist, list):
param_grid_serializable[key] = dist
else:
raise ValueError(f"Unknown distribution type for {key}: {type(dist)}")
return param_grid_serializable
@cli.default
def random_cv(
dataset_ensemble: DatasetEnsemble,
settings: CVSettings = CVSettings(),
):
"""Perform random cross-validation on the training dataset.
Args:
grid (Literal["hex", "healpix"]): The grid type to use.
level (int): The grid level to use.
n_iter (int, optional): Number of parameter settings that are sampled. Defaults to 2000.
robust (bool, optional): Whether to use robust training. Defaults to False.
task (Literal["binary", "count", "density"], optional): The classification task type. Defaults to "binary".
"""
print("Creating training data...")
_, X_data, y_data, labels = _create_xy_data(dataset_ensemble, task=settings.task)
print(f"Using {settings.task}-class classification with {len(labels)} classes: {labels}")
print(f"{y_data.describe()=}")
X = X_data.to_numpy(dtype="float64")
y = y_data.to_numpy(dtype="int8")
X, y = torch.asarray(X, device=0), torch.asarray(y, device=0)
print(f"{X.shape=}, {y.shape=}")
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.2, random_state=42)
print(f"{X_train.shape=}, {X_test.shape=}, {y_train.shape=}, {y_test.shape=}")
clf, param_grid, fit_params = _create_clf(settings)
print(f"Using model: {settings.model} with parameters: {param_grid}")
cv = KFold(n_splits=5, shuffle=True, random_state=42)
if task == "binary":
metrics = ["accuracy", "recall", "precision", "f1", "jaccard"] # "roc_auc" does not work on GPU
else:
metrics = [
"accuracy", # equals "f1_micro", "precision_micro", "recall_micro", "recall_weighted"
"f1_macro",
"f1_weighted",
"precision_macro",
"precision_weighted",
"recall_macro",
"jaccard_micro",
"jaccard_macro",
"jaccard_weighted",
]
metrics = _metrics["binary" if settings.task == "binary" else "multiclass"]
search = RandomizedSearchCV(
clf,
param_grid,
n_iter=n_iter,
n_iter=settings.n_iter,
n_jobs=8,
cv=cv,
random_state=42,
verbose=10,
scoring=metrics,
refit="f1" if task == "binary" else "f1_weighted",
refit="f1" if settings.task == "binary" else "f1_weighted",
)
print(f"Starting RandomizedSearchCV with {search.n_iter} candidates...")
with stopwatch(f"RandomizedSearchCV fitting for {search.n_iter} candidates"):
search.fit(X_train, y_train, max_iter=300)
search.fit(X_train, y_train, **fit_params)
print("Best parameters combination found:")
best_parameters = search.best_estimator_.get_params()
@ -192,35 +235,19 @@ def random_cv(
print(f"Accuracy of the best parameters using the inner CV of the random search: {search.best_score_:.3f}")
print(f"Accuracy on test set: {test_accuracy:.3f}")
results_dir = get_cv_results_dir("random_search", grid=grid, level=level, task=task)
results_dir = get_cv_results_dir(
"random_search",
grid=dataset_ensemble.grid,
level=dataset_ensemble.level,
task=settings.task,
)
# Store the search settings
# First convert the param_grid distributions to a serializable format
param_grid_serializable = {}
for key, dist in param_grid.items():
if isinstance(dist, loguniform):
param_grid_serializable[key] = {
"distribution": "loguniform",
"low": dist.a,
"high": dist.b,
}
elif isinstance(dist, randint):
param_grid_serializable[key] = {
"distribution": "randint",
"low": dist.a,
"high": dist.b,
}
elif isinstance(dist, list):
param_grid_serializable[key] = dist
else:
raise ValueError(f"Unknown distribution type for {key}: {type(dist)}")
settings = {
"task": task,
"model": model,
"grid": grid,
"level": level,
"random_state": 42,
"n_iter": n_iter,
param_grid_serializable = _serialize_param_grid(param_grid)
combined_settings = {
**asdict(settings),
**asdict(dataset_ensemble),
"param_grid": param_grid_serializable,
"cv_splits": cv.get_n_splits(),
"metrics": metrics,
@ -229,7 +256,7 @@ def random_cv(
settings_file = results_dir / "search_settings.toml"
print(f"Storing search settings to {settings_file}")
with open(settings_file, "w") as f:
toml.dump({"settings": settings}, f)
toml.dump({"settings": combined_settings}, f)
# Store the best estimator model
best_model_file = results_dir / "best_estimator_model.pkl"
@ -243,14 +270,12 @@ def random_cv(
params = pd.json_normalize(results["params"])
# Concatenate the params columns with the original DataFrame
results = pd.concat([results.drop(columns=["params"]), params], axis=1)
results["grid"] = grid
results["level"] = level
results_file = results_dir / "search_results.parquet"
print(f"Storing CV results to {results_file}")
results.to_parquet(results_file)
# Get the inner state of the best estimator
if model == "espa":
if settings.model == "espa":
best_estimator = search.best_estimator_
# Annotate the state with xarray metadata
features = X_data.columns.tolist()
@ -284,8 +309,6 @@ def random_cv(
},
attrs={
"description": "Inner state of the best ESPAClassifier from RandomizedSearchCV.",
"grid": grid,
"level": level,
},
)
state_file = results_dir / "best_estimator_state.nc"
@ -294,7 +317,7 @@ def random_cv(
# Predict probabilities for all cells
print("Predicting probabilities for all cells...")
preds = predict_proba(grid=grid, level=level, clf=best_estimator, classes=labels)
preds = predict_proba(dataset_ensemble, clf=best_estimator, classes=labels)
preds_file = results_dir / "predicted_probabilities.parquet"
print(f"Storing predicted probabilities to {preds_file}")
preds.to_parquet(preds_file)
@ -303,9 +326,5 @@ def random_cv(
print("Done.")
def main():
cyclopts.run(random_cv)
if __name__ == "__main__":
main()
cli()