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DeepGBoostClassifier

deepgboost.DeepGBoostClassifier

Bases: CategoricalEncoderMixin, BaseEstimator, ClassifierMixin

DeepGBoost classifier — sklearn-compatible interface.

Supports binary and multiclass classification.

  • Binary: trains a single DGBF model in log-odds space (LogisticObjective). predict_proba returns sigmoid outputs.
  • Multiclass: trains K binary classifiers (one-vs-rest), then normalises probabilities via softmax.

Parameters:

Name Type Description Default
n_trees int

Number of trees per boosting layer.

10
n_layers int

Number of boosting layers.

10
max_depth int or None

Maximum depth of each decision tree.

None
max_features (int, float, str or None)

Number of features to consider at each split. None uses all features (original DGBF behaviour). Set to "sqrt" for the standard Random Forest feature subsampling; combined with n_layers=1 the model becomes analogous to a RandomForest.

None
learning_rate float

Shrinkage factor.

0.1
subsample_min_frac float

Minimum subsample fraction at layer 0.

0.3
weight_solver str

How to combine the T bagged trees in each layer. "nnls" finds optimal non-negative weights; "uniform" assigns equal weight.

"nnls"
hessian_reg float

L2 regularisation added to the Hessian denominator of the Newton step: pseudo_y = g / (h + hessian_reg) * lr. Mirrors XGBoost's lambda parameter — set to 1.0 for XGBoost-equivalent behaviour.

0.0
linear_projection bool

Add Ridge regression correction per layer.

False
linear_alpha float

Ridge regularisation (only when linear_projection=True).

1.0
objective str or None

Override objective. Auto-selected from number of classes if None.

None
random_state int or None

Seed for reproducibility.

None
n_jobs int

Reserved for future use.

1
early_stopping_rounds int or None

Early stopping patience (requires eval_set in fit).

None
eval_metric str or None

Metric for early stopping monitoring.

None
Source code in src/deepgboost/deepgboost_classifier.py
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class DeepGBoostClassifier(
    CategoricalEncoderMixin,
    BaseEstimator,
    ClassifierMixin,
):
    """
    DeepGBoost classifier — sklearn-compatible interface.

    Supports binary and multiclass classification.

    * **Binary**: trains a single DGBF model in log-odds space
      (``LogisticObjective``).  ``predict_proba`` returns sigmoid outputs.
    * **Multiclass**: trains K binary classifiers (one-vs-rest), then
      normalises probabilities via softmax.

    Parameters
    ----------
    n_trees : int, default=10
        Number of trees per boosting layer.
    n_layers : int, default=10
        Number of boosting layers.
    max_depth : int or None, default=None
        Maximum depth of each decision tree.
    max_features : int, float, str or None, default=None
        Number of features to consider at each split.  ``None`` uses all
        features (original DGBF behaviour).  Set to ``"sqrt"`` for the
        standard Random Forest feature subsampling; combined with
        ``n_layers=1`` the model becomes analogous to a RandomForest.
    learning_rate : float, default=0.1
        Shrinkage factor.
    subsample_min_frac : float, default=0.3
        Minimum subsample fraction at layer 0.
    weight_solver : str, default="nnls"
        How to combine the T bagged trees in each layer.  ``"nnls"`` finds
        optimal non-negative weights; ``"uniform"`` assigns equal weight.
    hessian_reg : float, default=0.0
        L2 regularisation added to the Hessian denominator of the Newton step:
        ``pseudo_y = g / (h + hessian_reg) * lr``.  Mirrors XGBoost's
        ``lambda`` parameter — set to 1.0 for XGBoost-equivalent behaviour.
    linear_projection : bool, default=False
        Add Ridge regression correction per layer.
    linear_alpha : float, default=1.0
        Ridge regularisation (only when ``linear_projection=True``).
    objective : str or None, default=None
        Override objective.  Auto-selected from number of classes if ``None``.
    random_state : int or None, default=None
        Seed for reproducibility.
    n_jobs : int, default=1
        Reserved for future use.
    early_stopping_rounds : int or None, default=None
        Early stopping patience (requires ``eval_set`` in ``fit``).
    eval_metric : str or None, default=None
        Metric for early stopping monitoring.
    """

    def __init__(
        self,
        n_trees: int = 5,
        n_layers: int = 20,
        max_depth: int | None = None,
        max_features: int | float | str | None = None,
        learning_rate: float = 0.1,
        subsample_min_frac: float = 0.3,
        weight_solver: str = "nnls",
        hessian_reg: float = 0.0,
        linear_projection: bool = False,
        linear_alpha: float = 1.0,
        objective: str | None = None,
        random_state: int | None = None,
        n_jobs: int = 1,
        early_stopping_rounds: int | None = None,
        eval_metric: str | None = None,
    ):
        self.n_trees = n_trees
        self.n_layers = n_layers
        self.max_depth = max_depth
        self.max_features = max_features
        self.learning_rate = learning_rate
        self.subsample_min_frac = subsample_min_frac
        self.weight_solver = weight_solver
        self.hessian_reg = hessian_reg
        self.linear_projection = linear_projection
        self.linear_alpha = linear_alpha
        self.objective = objective
        self.random_state = random_state
        self.n_jobs = n_jobs
        self.early_stopping_rounds = early_stopping_rounds
        self.eval_metric = eval_metric

    # ------------------------------------------------------------------
    # Sklearn interface
    # ------------------------------------------------------------------

    def fit(
        self,
        X: ArrayLike,
        y: ArrayLike,
        *,
        eval_set: list[tuple] | None = None,
        callbacks: Sequence[TrainingCallback] | None = None,
        sample_weight: ArrayLike | None = None,
    ) -> "DeepGBoostClassifier":
        """
        Fit the classifier.

        Parameters
        ----------
        X : array-like of shape (n_samples, n_features)
        y : array-like of shape (n_samples,)
            Class labels (will be encoded internally).
        eval_set : list of (X_val, y_val) tuples, optional
        callbacks : list of TrainingCallback, optional
        sample_weight : ignored

        Returns
        -------
        self
        """
        X = self._fit_transform_X(X)
        y_raw = np.asarray(y)

        # Encode labels to 0..K-1
        self.label_encoder_ = LabelEncoder()
        y_enc = self.label_encoder_.fit_transform(y_raw)
        self.classes_ = self.label_encoder_.classes_
        n_classes = len(self.classes_)
        self.n_classes_ = n_classes
        self.n_features_in_ = X.shape[1]

        model_kw = dict(
            n_trees=self.n_trees,
            n_layers=self.n_layers,
            max_depth=self.max_depth,
            max_features=self.max_features,
            learning_rate=self.learning_rate,
            subsample_min_frac=self.subsample_min_frac,
            weight_solver=self.weight_solver,
            hessian_reg=self.hessian_reg,
            linear_projection=self.linear_projection,
            linear_alpha=self.linear_alpha,
            random_state=self.random_state,
        )

        if eval_set:
            eval_set = [(self._transform_X(Xv), yv) for Xv, yv in eval_set]

        all_callbacks = list(callbacks or [])
        if self.early_stopping_rounds is not None and eval_set:
            from .callbacks import EarlyStoppingCallback

            all_callbacks.append(
                EarlyStoppingCallback(patience=self.early_stopping_rounds),
            )

        if n_classes == 2:
            # Binary classification
            self._binary_model = self._fit_binary(
                X,
                y_enc.astype(np.float64),
                eval_set,
                all_callbacks,
                model_kw,
            )
        else:
            # Multiclass: one-vs-rest
            self._ovr_models: list[DGBFModel] = []
            for k in range(n_classes):
                y_k = (y_enc == k).astype(np.float64)
                eval_set_k = None
                if eval_set:
                    eval_set_k = [
                        (
                            Xv,
                            (LabelEncoder().fit_transform(yv) == k).astype(
                                np.float64,
                            ),
                        )
                        for Xv, yv in eval_set
                    ]
                model_k = self._fit_binary(
                    X,
                    y_k,
                    eval_set_k,
                    all_callbacks,
                    model_kw,
                )
                self._ovr_models.append(model_k)

        return self

    def _fit_binary(
        self,
        X: np.ndarray,
        y: np.ndarray,
        eval_set,
        callbacks: list,
        model_kw: dict,
    ) -> DGBFModel:
        objective = self.objective or "binary:logistic"
        model = DGBFModel(objective=objective, **model_kw)

        raw_evals = None
        if eval_set:
            raw_evals = [
                (
                    np.asarray(Xv, dtype=np.float64),
                    np.asarray(yv, dtype=np.float64).ravel(),
                    f"eval_{i}",
                )
                for i, (Xv, yv) in enumerate(eval_set)
            ]

        model.fit(X, y, callbacks=callbacks, evals=raw_evals)
        return model

    def predict_proba(self, X: ArrayLike) -> np.ndarray:
        """
        Probability estimates.

        Returns
        -------
        np.ndarray of shape (n_samples, n_classes)
        """
        check_is_fitted(self, "classes_")
        X = self._transform_X(X)

        if self.n_classes_ == 2:
            raw = self._binary_model.predict_raw(X)  # log-odds
            p_pos = sigmoid(raw)
            return np.column_stack([1.0 - p_pos, p_pos])
        else:
            # OvR: collect raw log-odds from each binary model
            log_odds = np.column_stack(
                [m.predict_raw(X) for m in self._ovr_models],
            )  # (n_samples, K)
            return softmax(log_odds, axis=1)

    def predict(self, X: ArrayLike) -> np.ndarray:
        """
        Predict class labels.

        Returns
        -------
        np.ndarray of shape (n_samples,) with original class labels.
        """
        proba = self.predict_proba(X)
        indices = np.argmax(proba, axis=1)
        return self.label_encoder_.inverse_transform(indices)

    def score(
        self, X: ArrayLike, y: ArrayLike, sample_weight: ArrayLike | None = None,
    ) -> float:
        """Return accuracy."""
        return float(np.mean(self.predict(X) == np.asarray(y)))

    @property
    def feature_importances_(self) -> np.ndarray:
        """Average feature importances across all binary sub-models."""
        check_is_fitted(self, "classes_")
        if self.n_classes_ == 2:
            return self._binary_model.feature_importances_
        importances = np.mean(
            [m.feature_importances_ for m in self._ovr_models],
            axis=0,
        )
        return importances

feature_importances_ property

Average feature importances across all binary sub-models.

fit(X, y, *, eval_set=None, callbacks=None, sample_weight=None)

Fit the classifier.

Parameters:

Name Type Description Default
X array-like of shape (n_samples, n_features)
required
y array-like of shape (n_samples,)

Class labels (will be encoded internally).

required
eval_set list of (X_val, y_val) tuples
None
callbacks list of TrainingCallback
None
sample_weight ignored
None

Returns:

Type Description
self
Source code in src/deepgboost/deepgboost_classifier.py
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def fit(
    self,
    X: ArrayLike,
    y: ArrayLike,
    *,
    eval_set: list[tuple] | None = None,
    callbacks: Sequence[TrainingCallback] | None = None,
    sample_weight: ArrayLike | None = None,
) -> "DeepGBoostClassifier":
    """
    Fit the classifier.

    Parameters
    ----------
    X : array-like of shape (n_samples, n_features)
    y : array-like of shape (n_samples,)
        Class labels (will be encoded internally).
    eval_set : list of (X_val, y_val) tuples, optional
    callbacks : list of TrainingCallback, optional
    sample_weight : ignored

    Returns
    -------
    self
    """
    X = self._fit_transform_X(X)
    y_raw = np.asarray(y)

    # Encode labels to 0..K-1
    self.label_encoder_ = LabelEncoder()
    y_enc = self.label_encoder_.fit_transform(y_raw)
    self.classes_ = self.label_encoder_.classes_
    n_classes = len(self.classes_)
    self.n_classes_ = n_classes
    self.n_features_in_ = X.shape[1]

    model_kw = dict(
        n_trees=self.n_trees,
        n_layers=self.n_layers,
        max_depth=self.max_depth,
        max_features=self.max_features,
        learning_rate=self.learning_rate,
        subsample_min_frac=self.subsample_min_frac,
        weight_solver=self.weight_solver,
        hessian_reg=self.hessian_reg,
        linear_projection=self.linear_projection,
        linear_alpha=self.linear_alpha,
        random_state=self.random_state,
    )

    if eval_set:
        eval_set = [(self._transform_X(Xv), yv) for Xv, yv in eval_set]

    all_callbacks = list(callbacks or [])
    if self.early_stopping_rounds is not None and eval_set:
        from .callbacks import EarlyStoppingCallback

        all_callbacks.append(
            EarlyStoppingCallback(patience=self.early_stopping_rounds),
        )

    if n_classes == 2:
        # Binary classification
        self._binary_model = self._fit_binary(
            X,
            y_enc.astype(np.float64),
            eval_set,
            all_callbacks,
            model_kw,
        )
    else:
        # Multiclass: one-vs-rest
        self._ovr_models: list[DGBFModel] = []
        for k in range(n_classes):
            y_k = (y_enc == k).astype(np.float64)
            eval_set_k = None
            if eval_set:
                eval_set_k = [
                    (
                        Xv,
                        (LabelEncoder().fit_transform(yv) == k).astype(
                            np.float64,
                        ),
                    )
                    for Xv, yv in eval_set
                ]
            model_k = self._fit_binary(
                X,
                y_k,
                eval_set_k,
                all_callbacks,
                model_kw,
            )
            self._ovr_models.append(model_k)

    return self

predict(X)

Predict class labels.

Returns:

Type Description
np.ndarray of shape (n_samples,) with original class labels.
Source code in src/deepgboost/deepgboost_classifier.py
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def predict(self, X: ArrayLike) -> np.ndarray:
    """
    Predict class labels.

    Returns
    -------
    np.ndarray of shape (n_samples,) with original class labels.
    """
    proba = self.predict_proba(X)
    indices = np.argmax(proba, axis=1)
    return self.label_encoder_.inverse_transform(indices)

predict_proba(X)

Probability estimates.

Returns:

Type Description
np.ndarray of shape (n_samples, n_classes)
Source code in src/deepgboost/deepgboost_classifier.py
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def predict_proba(self, X: ArrayLike) -> np.ndarray:
    """
    Probability estimates.

    Returns
    -------
    np.ndarray of shape (n_samples, n_classes)
    """
    check_is_fitted(self, "classes_")
    X = self._transform_X(X)

    if self.n_classes_ == 2:
        raw = self._binary_model.predict_raw(X)  # log-odds
        p_pos = sigmoid(raw)
        return np.column_stack([1.0 - p_pos, p_pos])
    else:
        # OvR: collect raw log-odds from each binary model
        log_odds = np.column_stack(
            [m.predict_raw(X) for m in self._ovr_models],
        )  # (n_samples, K)
        return softmax(log_odds, axis=1)

score(X, y, sample_weight=None)

Return accuracy.

Source code in src/deepgboost/deepgboost_classifier.py
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def score(
    self, X: ArrayLike, y: ArrayLike, sample_weight: ArrayLike | None = None,
) -> float:
    """Return accuracy."""
    return float(np.mean(self.predict(X) == np.asarray(y)))