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Pipeline Anatomy

Reference for scikit-learn-pipeline-builder · 96 lines

AI & Machine Learning / Classical Machine Learningv1.0.0Updated OCT 25 20265 references2 scripts

Pipeline and make_pipeline

python
from sklearn.pipeline import Pipeline, make_pipeline
pipe = Pipeline([("scale", StandardScaler()), ("clf", LogisticRegression(max_iter=2000))])
pipe = make_pipeline(StandardScaler(), LogisticRegression(max_iter=2000))   # names: standardscaler, logisticregression
  • All steps but the last must be transformers (fit + transform); the last can be anything.
  • pipe[:-1] is the preprocessing sub-pipeline; pipe[-1] / pipe.named_steps["clf"] the model.
  • "passthrough" or None disables a step (useful in searches: {"select": ["passthrough", SelectKBest(k=20)]}).

ColumnTransformer

python
from sklearn.compose import ColumnTransformer, make_column_selector as sel
ct = ColumnTransformer(
    transformers=[
        ("num", num_pipe, sel(dtype_include="number")),
        ("cat", cat_pipe, sel(dtype_include=["object", "category", "string"])),
        ("txt", TfidfVectorizer(), "description"),           # a single string column -> 1-D input for text
    ],
    remainder="drop",                # or "passthrough", or a transformer
    sparse_threshold=0.3,            # output sparse if overall density < 0.3
    verbose_feature_names_out=True,  # prefixes names with the transformer name: "num__age"
    n_jobs=None,
)
  • Column spec: list of names, a single name (1-D for text vectorisers), boolean mask, slice, or a selector.
  • Text vectorisers need a string, not a list: "description" not ["description"].
  • ct.get_feature_names_out() after fitting; ct.named_transformers_["cat"] to inspect a fitted block.

set_output

python
ct.set_output(transform="pandas")     # DataFrame out, with column names (sklearn >= 1.2)

Requires every inner transformer to support set_output (text vectorisers and some third-party transformers do not) and dense output. Useful for debugging and for models that read column names.

Caching

python
from tempfile import mkdtemp
pipe = Pipeline(steps, memory=mkdtemp())     # caches fitted transformers across a grid search

Helps when preprocessing is expensive and only the model's parameters vary.

FeatureUnion

Concatenates outputs of transformers applied to the same input:

python
from sklearn.pipeline import FeatureUnion
from sklearn.decomposition import PCA, TruncatedSVD
feats = FeatureUnion([("pca", PCA(n_components=10)), ("raw", "passthrough")])

FunctionTransformer

python
import numpy as np
from sklearn.preprocessing import FunctionTransformer
log1p = FunctionTransformer(np.log1p, inverse_func=np.expm1, feature_names_out="one-to-one")

Stateless only (learns nothing). Pass a module-level function, not a lambda, so the pipeline pickles.

TransformedTargetRegressor

python
from sklearn.compose import TransformedTargetRegressor
reg = TransformedTargetRegressor(regressor=pipe, func=np.log1p, inverse_func=np.expm1)

Transforms y for fitting and inverts predictions automatically.

Imputation inside pipelines

ImputerUse
SimpleImputer(strategy="median", add_indicator=True)default for numerics
SimpleImputer(strategy="most_frequent") or fill_value="missing" with strategy="constant"categoricals
KNNImputer(n_neighbors=5)small data, related features; needs scaling first
IterativeImputer (experimental import)MICE-style; slow; rarely worth it for GBMs
noneHistGradientBoosting, LightGBM, XGBoost handle NaN natively

Inspecting a fitted pipeline

python
pipe.fit(X, y)
names = pipe[:-1].get_feature_names_out()
coefs = pd.Series(pipe[-1].coef_.ravel(), index=names).sort_values()
pipe.set_params(clf__C=0.1)                 # same naming as search spaces
print(pipe.get_params().keys())             # every addressable parameter
from sklearn import set_config; set_config(display="diagram")   # HTML diagram in notebooks
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