From bd43b306bb53e5f02293f45a73ffefa12f3c3e39 Mon Sep 17 00:00:00 2001 From: Ysobel Date: Wed, 15 Jul 2026 08:35:04 +1000 Subject: [PATCH 1/2] add functions to spatially group data --- ecosci/data/__init__.py | 3 +- ecosci/data/loader.py | 32 ++- ecosci/data/spatial.py | 48 +++++ pyproject.toml | 16 ++ run.py | 1 + uv.lock | 466 ++++++++++++++++++++++++++++++++++++++++ 6 files changed, 564 insertions(+), 2 deletions(-) create mode 100644 ecosci/data/spatial.py create mode 100644 pyproject.toml create mode 100644 uv.lock diff --git a/ecosci/data/__init__.py b/ecosci/data/__init__.py index 1b84bcf..bd1b62b 100644 --- a/ecosci/data/__init__.py +++ b/ecosci/data/__init__.py @@ -1,5 +1,6 @@ """Data loading, preprocessing, and splitting utilities.""" from .loader import CSVDataLoader +from .spatial import assign_spatial_blocks -__all__ = ["CSVDataLoader"] +__all__ = ["CSVDataLoader", "assign_spatial_blocks"] diff --git a/ecosci/data/loader.py b/ecosci/data/loader.py index 8b45153..c519215 100755 --- a/ecosci/data/loader.py +++ b/ecosci/data/loader.py @@ -10,6 +10,7 @@ encode_labels, ) from .splitting import prepare_cv_folds, prepare_grouped_splits +from .spatial import assign_spatial_blocks class CSVDataLoader: @@ -50,6 +51,13 @@ class CSVDataLoader: "classification" or "regression" cv_group_column : str, optional Column name for grouping in cross-validation + spatial_blocks : dict, optional + If set, automatically derives `cv_group_column` from coordinates + instead of requiring a pre-existing column. Keys: `lon_col`, + `lat_col` (default "longitude"/"latitude"), `n_blocks` (default 10). + Samples are clustered into spatially coherent blocks with KMeans, so + grouping/CV on `cv_group_column` keeps spatially autocorrelated + neighbours together rather than splitting them across train/test. """ def __init__( @@ -65,6 +73,7 @@ def __init__( impute_strategy: str = "mean", problem_type: str = "classification", cv_group_column: Optional[str] = None, + spatial_blocks: Optional[dict] = None, ): self.path = path self.features = features @@ -85,10 +94,31 @@ def __init__( self.impute_strategy = impute_strategy self.problem_type = problem_type self.cv_group_column = cv_group_column + self.spatial_blocks = spatial_blocks def load(self) -> pd.DataFrame: - """Read the CSV into a DataFrame.""" + """Read the CSV into a DataFrame, adding spatial-block groups if configured.""" df = pd.read_csv(self.path) + if self.spatial_blocks is not None: + if self.cv_group_column is None: + raise ValueError( + "cv_group_column must be set when spatial_blocks is configured" + ) + df[self.cv_group_column] = assign_spatial_blocks( + df, + lon_col=self.spatial_blocks.get("lon_col", "longitude"), + lat_col=self.spatial_blocks.get("lat_col", "latitude"), + n_blocks=self.spatial_blocks.get("n_blocks", 10), + random_state=self.spatial_blocks.get( + "random_state", self.random_state + ), + ) + print( + f"\nAssigned {df[self.cv_group_column].nunique()} spatial blocks " + f"from '{self.spatial_blocks.get('lon_col', 'longitude')}'/" + f"'{self.spatial_blocks.get('lat_col', 'latitude')}' " + f"-> '{self.cv_group_column}'" + ) return df def _get_feature_names_after_transform(self, preprocessor, numeric_cols, cat_cols): diff --git a/ecosci/data/spatial.py b/ecosci/data/spatial.py new file mode 100644 index 0000000..6716e30 --- /dev/null +++ b/ecosci/data/spatial.py @@ -0,0 +1,48 @@ +"""Spatial partitioning utilities. + +Random train/test splits on geo-referenced ecological data tend to place +spatially autocorrelated neighbours (e.g. adjacent plots) on both sides of the +split, which lets models "cheat" by memorising local conditions rather than +learning a relationship that generalises to new sites. Grouping samples into +spatial blocks first, then splitting/cross-validating on those blocks (e.g. +via GroupKFold), keeps neighbours together on one side of the split. +""" + +import pandas as pd + + +def assign_spatial_blocks( + df: pd.DataFrame, + lon_col: str = "longitude", + lat_col: str = "latitude", + n_blocks: int = 10, + random_state: int = 42, +) -> pd.Series: + """Cluster samples into spatially coherent blocks using KMeans on coordinates. + + Parameters + ---------- + df : DataFrame + Must contain `lon_col` and `lat_col`. + lon_col, lat_col : str + Coordinate column names. + n_blocks : int + Number of spatial blocks (i.e. groups) to create. Capped at the number + of rows if there are fewer samples than blocks. + random_state : int + Seed for KMeans initialisation. + + Returns + ------- + Series + Integer block label per row, named "spatial_block", aligned to `df`'s index. + """ + from sklearn.cluster import KMeans + + coords = df[[lon_col, lat_col]].to_numpy() + n_blocks = max(1, min(n_blocks, len(df))) + + km = KMeans(n_clusters=n_blocks, random_state=random_state, n_init=10) + labels = km.fit_predict(coords) + + return pd.Series(labels, index=df.index, name="spatial_block") diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..197339f --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,16 @@ +[project] +name = "econet" +version = "0.1.0" +requires-python = ">=3.10,<3.11" +dependencies = [ + "numpy>=1.20", + "pandas>=1.2", + "scikit-learn>=1.0", + "xgboost>=1.6", + "matplotlib>=3.9", + "seaborn>=0.11", + "pyyaml>=6.0", + "joblib>=1.0", + "pytest>=7.0", + "tqdm>=4.0", +] diff --git a/run.py b/run.py 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a/README.md b/README.md index 6620043..d8a0947 100644 --- a/README.md +++ b/README.md @@ -411,6 +411,32 @@ training: For detailed information, see [docs/HYPERPARAMETER_TUNING.md](docs/HYPERPARAMETER_TUNING.md) +### Grouping without a group column: K-means spatial blocks + +Grouped splits and grouped CV (above) need a `cv_group_column` — e.g. `patch_id` or +`site` — to keep spatially autocorrelated samples together. If your data has +coordinates but no ready-made group column, set `spatial_blocks` under `data:` and +EcoNetToolkit will cluster samples into spatially coherent blocks with K-means and +generate that column for you: + +```yaml +data: + path: data/mangrove.csv + cv_group_column: spatial_block # name for the generated column + spatial_blocks: + lon_col: pu_x # default: "longitude" + lat_col: pu_y # default: "latitude" + n_blocks: 10 # default: 10 (capped at number of rows) + + n_train_groups: 6 + n_val_groups: 2 + n_test_groups: 2 +``` + +- `cv_group_column` must still be set (it's the name K-means writes its block labels to) — it just no longer needs to already exist in the CSV. +- Each row is assigned to one of `n_blocks` clusters based on `lon_col`/`lat_col`, so neighbouring points end up in the same block and are never split across train/val/test. +- Works with both grouped train/val/test splits (`prepare_grouped_splits`) and `GroupKFold` cross-validation. + ## Using your own data 1. Place your CSV file in the `data` folder.