gh-k-dense-ai-claude-scientific-skills-scientific-skills/skills/scikit-learn/references/supervised_learning.md

Supervised Learning Reference

Overview

Supervised learning algorithms learn from labeled training data to make predictions on new data. Scikit-learn provides comprehensive implementations for both classification and regression tasks.

Linear Models

Regression

Linear Regression (sklearn.linear_model.LinearRegression)

• Ordinary least squares regression
• Fast, interpretable, no hyperparameters
• Use when: Linear relationships, interpretability matters
• Example:

from sklearn.linear_model import LinearRegression

model = LinearRegression()
model.fit(X_train, y_train)
predictions = model.predict(X_test)

Ridge Regression (sklearn.linear_model.Ridge)

• L2 regularization to prevent overfitting
• Key parameter: alpha (regularization strength, default=1.0)
• Use when: Multicollinearity present, need regularization
• Example:

from sklearn.linear_model import Ridge

model = Ridge(alpha=1.0)
model.fit(X_train, y_train)

Lasso (sklearn.linear_model.Lasso)

• L1 regularization with feature selection
• Key parameter: alpha (regularization strength)
• Use when: Want sparse models, feature selection
• Can reduce some coefficients to exactly zero
• Example:

from sklearn.linear_model import Lasso

model = Lasso(alpha=0.1)
model.fit(X_train, y_train)
# Check which features were selected
print(f"Non-zero coefficients: {sum(model.coef_ != 0)}")

ElasticNet (sklearn.linear_model.ElasticNet)

• Combines L1 and L2 regularization
• Key parameters: alpha, l1_ratio (0=Ridge, 1=Lasso)
• Use when: Need both feature selection and regularization
• Example:

from sklearn.linear_model import ElasticNet

model = ElasticNet(alpha=0.1, l1_ratio=0.5)
model.fit(X_train, y_train)

Classification

Logistic Regression (sklearn.linear_model.LogisticRegression)

• Binary and multiclass classification
• Key parameters: C (inverse regularization), penalty ('l1', 'l2', 'elasticnet')
• Returns probability estimates
• Use when: Need probabilistic predictions, interpretability
• Example:

from sklearn.linear_model import LogisticRegression

model = LogisticRegression(C=1.0, max_iter=1000)
model.fit(X_train, y_train)
probas = model.predict_proba(X_test)

Stochastic Gradient Descent (SGD)

• SGDClassifier, SGDRegressor
• Efficient for large-scale learning
• Key parameters: loss, penalty, alpha, learning_rate
• Use when: Very large datasets (>10^4 samples)
• Example:

from sklearn.linear_model import SGDClassifier

model = SGDClassifier(loss='log_loss', max_iter=1000, tol=1e-3)
model.fit(X_train, y_train)

Support Vector Machines

SVC (sklearn.svm.SVC)

• Classification with kernel methods
• Key parameters: C, kernel ('linear', 'rbf', 'poly'), gamma
• Use when: Small to medium datasets, complex decision boundaries
• Note: Does not scale well to large datasets
• Example:

from sklearn.svm import SVC

# Linear kernel for linearly separable data
model_linear = SVC(kernel='linear', C=1.0)

# RBF kernel for non-linear data
model_rbf = SVC(kernel='rbf', C=1.0, gamma='scale')
model_rbf.fit(X_train, y_train)

SVR (sklearn.svm.SVR)

• Regression with kernel methods
• Similar parameters to SVC
• Additional parameter: epsilon (tube width)
• Example:

from sklearn.svm import SVR

model = SVR(kernel='rbf', C=1.0, epsilon=0.1)
model.fit(X_train, y_train)

Decision Trees

DecisionTreeClassifier / DecisionTreeRegressor

• Non-parametric model learning decision rules
• Key parameters:
  • max_depth: Maximum tree depth (prevents overfitting)
  • min_samples_split: Minimum samples to split a node
  • min_samples_leaf: Minimum samples in leaf
  • criterion: 'gini', 'entropy' for classification; 'squared_error', 'absolute_error' for regression
• Use when: Need interpretable model, non-linear relationships, mixed feature types
• Prone to overfitting - use ensembles or pruning
• Example:

from sklearn.tree import DecisionTreeClassifier

model = DecisionTreeClassifier(
    max_depth=5,
    min_samples_split=20,
    min_samples_leaf=10,
    criterion='gini'
)
model.fit(X_train, y_train)

# Visualize the tree
from sklearn.tree import plot_tree
plot_tree(model, feature_names=feature_names, class_names=class_names)

Ensemble Methods

Random Forests

RandomForestClassifier / RandomForestRegressor

• Ensemble of decision trees with bagging
• Key parameters:
  • n_estimators: Number of trees (default=100)
  • max_depth: Maximum tree depth
  • max_features: Features to consider for splits ('sqrt', 'log2', or int)
  • min_samples_split, min_samples_leaf: Control tree growth
• Use when: High accuracy needed, can afford computation
• Provides feature importance
• Example:

from sklearn.ensemble import RandomForestClassifier

model = RandomForestClassifier(
    n_estimators=100,
    max_depth=10,
    max_features='sqrt',
    n_jobs=-1  # Use all CPU cores
)
model.fit(X_train, y_train)

# Feature importance
importances = model.feature_importances_

Gradient Boosting

GradientBoostingClassifier / GradientBoostingRegressor

• Sequential ensemble building trees on residuals
• Key parameters:
  • n_estimators: Number of boosting stages
  • learning_rate: Shrinks contribution of each tree
  • max_depth: Depth of individual trees (typically 3-5)
  • subsample: Fraction of samples for training each tree
• Use when: Need high accuracy, can afford training time
• Often achieves best performance
• Example:

from sklearn.ensemble import GradientBoostingClassifier

model = GradientBoostingClassifier(
    n_estimators=100,
    learning_rate=0.1,
    max_depth=3,
    subsample=0.8
)
model.fit(X_train, y_train)

HistGradientBoostingClassifier / HistGradientBoostingRegressor

• Faster gradient boosting with histogram-based algorithm
• Native support for missing values and categorical features
• Key parameters: Similar to GradientBoosting
• Use when: Large datasets, need faster training
• Example:

from sklearn.ensemble import HistGradientBoostingClassifier

model = HistGradientBoostingClassifier(
    max_iter=100,
    learning_rate=0.1,
    max_depth=None,  # No limit by default
    categorical_features='from_dtype'  # Auto-detect categorical
)
model.fit(X_train, y_train)

Other Ensemble Methods

AdaBoost

• Adaptive boosting focusing on misclassified samples
• Key parameters: n_estimators, learning_rate, estimator (base estimator)
• Use when: Simple boosting approach needed
• Example:

from sklearn.ensemble import AdaBoostClassifier

model = AdaBoostClassifier(n_estimators=50, learning_rate=1.0)
model.fit(X_train, y_train)

Voting Classifier / Regressor

• Combines predictions from multiple models
• Types: 'hard' (majority vote) or 'soft' (average probabilities)
• Use when: Want to ensemble different model types
• Example:

from sklearn.ensemble import VotingClassifier
from sklearn.linear_model import LogisticRegression
from sklearn.tree import DecisionTreeClassifier
from sklearn.svm import SVC

model = VotingClassifier(
    estimators=[
        ('lr', LogisticRegression()),
        ('dt', DecisionTreeClassifier()),
        ('svc', SVC(probability=True))
    ],
    voting='soft'
)
model.fit(X_train, y_train)

Stacking Classifier / Regressor

• Trains a meta-model on predictions from base models
• More sophisticated than voting
• Key parameter: final_estimator (meta-learner)
• Example:

from sklearn.ensemble import StackingClassifier
from sklearn.linear_model import LogisticRegression
from sklearn.tree import DecisionTreeClassifier
from sklearn.svm import SVC

model = StackingClassifier(
    estimators=[
        ('dt', DecisionTreeClassifier()),
        ('svc', SVC())
    ],
    final_estimator=LogisticRegression()
)
model.fit(X_train, y_train)

K-Nearest Neighbors

KNeighborsClassifier / KNeighborsRegressor

• Non-parametric method based on distance
• Key parameters:
  • n_neighbors: Number of neighbors (default=5)
  • weights: 'uniform' or 'distance'
  • metric: Distance metric ('euclidean', 'manhattan', etc.)
• Use when: Small dataset, simple baseline needed
• Slow prediction on large datasets
• Example:

from sklearn.neighbors import KNeighborsClassifier

model = KNeighborsClassifier(n_neighbors=5, weights='distance')
model.fit(X_train, y_train)

Naive Bayes

GaussianNB, MultinomialNB, BernoulliNB

• Probabilistic classifiers based on Bayes' theorem
• Fast training and prediction
• GaussianNB: Continuous features (assumes Gaussian distribution)
• MultinomialNB: Count features (text classification)
• BernoulliNB: Binary features
• Use when: Text classification, fast baseline, probabilistic predictions
• Example:

from sklearn.naive_bayes import GaussianNB, MultinomialNB

# For continuous features
model_gaussian = GaussianNB()

# For text/count data
model_multinomial = MultinomialNB(alpha=1.0)  # alpha is smoothing parameter
model_multinomial.fit(X_train, y_train)

Neural Networks

MLPClassifier / MLPRegressor

• Multi-layer perceptron (feedforward neural network)
• Key parameters:
  • hidden_layer_sizes: Tuple of hidden layer sizes, e.g., (100, 50)
  • activation: 'relu', 'tanh', 'logistic'
  • solver: 'adam', 'sgd', 'lbfgs'
  • alpha: L2 regularization parameter
  • learning_rate: 'constant', 'adaptive'
• Use when: Complex non-linear patterns, large datasets
• Requires feature scaling
• Example:

from sklearn.neural_network import MLPClassifier
from sklearn.preprocessing import StandardScaler

# Scale features first
scaler = StandardScaler()
X_train_scaled = scaler.fit_transform(X_train)

model = MLPClassifier(
    hidden_layer_sizes=(100, 50),
    activation='relu',
    solver='adam',
    alpha=0.0001,
    max_iter=1000
)
model.fit(X_train_scaled, y_train)

Algorithm Selection Guide

Choose based on:

Dataset size:

• Small (<1k samples): KNN, SVM, Decision Trees
• Medium (1k-100k): Random Forest, Gradient Boosting, Linear Models
• Large (>100k): SGD, Linear Models, HistGradientBoosting

Interpretability:

• High: Linear Models, Decision Trees
• Medium: Random Forest (feature importance)
• Low: SVM with RBF kernel, Neural Networks

Accuracy vs Speed:

• Fast training: Naive Bayes, Linear Models, KNN
• High accuracy: Gradient Boosting, Random Forest, Stacking
• Fast prediction: Linear Models, Naive Bayes
• Slow prediction: KNN (on large datasets), SVM

Feature types:

• Continuous: Most algorithms work well
• Categorical: Trees, HistGradientBoosting (native support)
• Mixed: Trees, Gradient Boosting
• Text: Naive Bayes, Linear Models with TF-IDF

Common starting points:

1. Logistic Regression (classification) / Linear Regression (regression) - fast baseline
2. Random Forest - good default choice
3. Gradient Boosting - optimize for best accuracy