feat: add Radial Basis Function Neural Network (Implements #12322)

DIRECTORY.md

@@ -619,6 +619,7 @@
   * [Multilayer Perceptron Classifier](machine_learning/multilayer_perceptron_classifier.py)
   * [Polynomial Regression](machine_learning/polynomial_regression.py)
   * [Principle Component Analysis](machine_learning/principle_component_analysis.py)
+  * [Rbf Network](machine_learning/rbf_network.py)
   * [Scoring Functions](machine_learning/scoring_functions.py)
   * [Self Organizing Map](machine_learning/self_organizing_map.py)
   * [Sequential Minimum Optimization](machine_learning/sequential_minimum_optimization.py)

machine_learning/rbf_network.py

@@ -0,0 +1,178 @@
+"""
+Radial Basis Function Neural Network (RBFNN)
+
+A neural network that uses radial basis functions (typically Gaussian) as activation
+functions in the hidden layer. RBFNNs are effective for function approximation and
+classification tasks.
+
+Architecture:
+- Input Layer: Accepts n-dimensional input vectors
+- Hidden Layer: RBF neurons (Gaussian functions centered at data points)
+- Output Layer: Linear combination of hidden layer outputs
+
+Reference: https://en.wikipedia.org/wiki/Radial_basis_function_network
+"""
+
+import numpy as np
+from sklearn.cluster import KMeans
+
+
+class RadialBasisFunctionNetwork:
+    """
+    Radial Basis Function Neural Network for regression and classification.
+
+    Uses KMeans clustering to determine RBF centers and least-squares
+    fitting for output weights.
+
+    Attributes:
+        num_centers: Number of RBF centers (hidden neurons)
+        gamma: Spread parameter for Gaussian RBF (inverse of variance)
+        centers: Cluster centers from KMeans
+        weights: Output layer weights
+    """
+
+    def __init__(self, num_centers: int = 10, gamma: float = 1.0):
+        """
+        Initialize RBFNN with specified parameters.
+
+        Args:
+            num_centers: Number of RBF centers (default: 10)
+            gamma: Gaussian spread parameter (default: 1.0)
+
+        >>> rbfnn = RadialBasisFunctionNetwork(num_centers=5, gamma=2.0)
+        >>> rbfnn.num_centers
+        5
+        >>> rbfnn.gamma
+        2.0
+        """
+        if num_centers <= 0:
+            raise ValueError("num_centers must be positive")
+        if gamma <= 0:
+            raise ValueError("gamma must be positive")
+
+        self.num_centers = num_centers
+        self.gamma = gamma
+        self.centers = None
+        self.weights = None
+
+    def _gaussian_rbf(self, x: np.ndarray, center: np.ndarray) -> float:
+        """
+        Compute Gaussian radial basis function.
+
+        RBF(x) = exp(-gamma * ||x - center||^2)
+
+        Args:
+            x: Input vector
+            center: RBF center vector
+
+        Returns:
+            Activation value between 0 and 1
+        """
+        distance_squared = np.sum((x - center) ** 2)
+        return np.exp(-self.gamma * distance_squared)
+
+    def _compute_rbf_activations(self, X: np.ndarray) -> np.ndarray:  # noqa: N803
+        """
+        Compute RBF activations for all input samples.
+
+        Args:
+            X: Input data matrix (n_samples, n_features)
+
+        Returns:
+            Activation matrix (n_samples, num_centers)
+        """
+        n_samples = X.shape[0]
+        activations = np.zeros((n_samples, self.num_centers))
+
+        for i in range(n_samples):
+            for j in range(self.num_centers):
+                activations[i, j] = self._gaussian_rbf(X[i], self.centers[j])
+
+        return activations
+
+    def train(self, X: np.ndarray, y: np.ndarray) -> None:   # noqa: N803
+        """
+        Train the RBFNN using KMeans clustering and least-squares fitting.
+
+        Steps:
+        1. Find RBF centers using KMeans clustering
+        2. Compute RBF activations for all training samples
+        3. Calculate output weights using least-squares fitting
+
+        Args:
+            X: Training data (n_samples, n_features)
+            y: Target values (n_samples,) or (n_samples, n_outputs)
+
+        >>> import numpy as np
+        >>> np.random.seed(42)
+        >>> X_train = np.random.randn(50, 2)
+        >>> y_train = np.sum(X_train ** 2, axis=1)
+        >>> rbfnn = RadialBasisFunctionNetwork(num_centers=5, gamma=1.0)
+        >>> rbfnn.train(X_train, y_train)
+        >>> rbfnn.centers.shape
+        (5, 2)
+        >>> rbfnn.weights.shape
+        (5,)
+        """
+        if X.shape[0] != len(y):
+            raise ValueError("X and y must have the same number of samples")
+
+        if self.num_centers > X.shape[0]:
+            raise ValueError("num_centers cannot exceed number of training samples")
+
+        # Step 1: Find RBF centers using KMeans clustering
+        kmeans = KMeans(n_clusters=self.num_centers, random_state=42, n_init=10)
+        kmeans.fit(X)
+        self.centers = kmeans.cluster_centers_
+
+        # Step 2: Compute RBF activations
+        activations = self._compute_rbf_activations(X)
+
+        # Step 3: Solve for output weights using least-squares
+        # weights = (A^T A)^-1 A^T y, where A is the activation matrix
+        self.weights = np.linalg.lstsq(activations, y, rcond=None)[0]
+
+    def predict(self, X: np.ndarray) -> np.ndarray:   # noqa: N803
+        """
+        Make predictions using trained RBFNN.
+
+        Args:
+            X: Input data (n_samples, n_features)
+
+        Returns:
+            Predictions (n_samples,) or (n_samples, n_outputs)
+
+        >>> import numpy as np
+        >>> np.random.seed(42)
+        >>> X_train = np.array([[0, 0], [1, 1], [2, 2]])
+        >>> y_train = np.array([0, 2, 4])
+        >>> rbfnn = RadialBasisFunctionNetwork(num_centers=2, gamma=1.0)
+        >>> rbfnn.train(X_train, y_train)
+        >>> X_test = np.array([[0.5, 0.5], [1.5, 1.5]])
+        >>> predictions = rbfnn.predict(X_test)
+        >>> predictions.shape
+        (2,)
+        """
+        if self.centers is None or self.weights is None:
+            raise RuntimeError("Model must be trained before making predictions")
+
+        if X.shape[1] != self.centers.shape[1]:
+            msg = (
+                f"Input dimension {X.shape[1]} does not match "
+                f"training dimension {self.centers.shape[1]}"
+            )
+            raise ValueError(msg)
+
+        # Compute RBF activations for test data
+        activations = self._compute_rbf_activations(X)
+
+        # Compute predictions as linear combination of activations
+        predictions = activations @ self.weights
+
+        return predictions
+
+
+if __name__ == "__main__":
+    import doctest
+
+    doctest.testmod()