<jupyter_start><jupyter_text>Dimensionality Reduction*from Python Machine Learning by <NAME> under the MIT License (MIT)*This code might be directly from the book, mine, or a mix.  Principal component analysis (PCA) - Standarize the d-dimensional dataset- Construct the covariance matrix- Decompose the covariance matrix into its eigenvectors and eigenvalues- Select k eigenvectors that correspond to the k largerst eigenvalues where k is the dimensionality of the new feature subspace.- Construct a projection matrix W from the "top" k eigenvectors.- Transform the d-dimensional input dataset X using the projection matrix W to obtain the new k-dimensional feature subspace.<jupyter_code>import pandas as pd
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import StandardScaler
import numpy as np

df_wine = pd.read_csv('https://archive.ics.uci.edu/ml/machine-learning-databases/wine/wine.data', header=None)
df_wine.head()

X, y = df_wine.iloc[:, 1:].values, df_wine.iloc[:, 0].values
X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.3, random_state=0)

sc = StandardScaler()
X_train_std = sc.fit_transform(X_train)
X_test_std = sc.transform(X_test)

cov_mat = np.cov(X_train_std.T)
eigen_vals, eigen_vecs = np.linalg.eig(cov_mat)
import matplotlib.pyplot as plt

tot = sum(eigen_vals)
var_exp = [(i / tot) for i in sorted(eigen_vals, reverse=True)]
cum_var_exp = np.cumsum(var_exp)

plt.bar(range(1, 14), var_exp, alpha=0.5, align='center', label='individual explained variance')
plt.ylabel('Explained variance ratio')
plt.xlabel('Principal components')
plt.legend(loc='best')
plt.show()
# Make a list of (eigenvalue, eigenvector) tuples and sort the tuples from high to low
eigen_pairs = [(np.abs(eigen_vals[i]), eigen_vecs[:, i]) for i in range(len(eigen_vals))]
eigen_pairs.sort(key=lambda k: k[0], reverse=True)

w = np.hstack((eigen_pairs[0][1][:, np.newaxis], eigen_pairs[1][1][:, np.newaxis]))
print('Matrix W:\n', w)
X_train_pca = X_train_std.dot(w)
colors = ['r', 'b', 'g']
markers = ['s', 'x', 'o']

for l, c, m in zip(np.unique(y_train), colors, markers):
    plt.scatter(X_train_pca[y_train == l, 0], X_train_pca[y_train == l, 1], c=c, label=l, marker=m)

plt.xlabel('PC 1')
plt.ylabel('PC 2')
plt.legend(loc='lower left')
plt.show()<jupyter_output><empty_output><jupyter_text>PCA in scikit-learn<jupyter_code>from sklearn.decomposition import PCA

pca = PCA()
X_train_pca = pca.fit_transform(X_train_std)

pca = PCA(n_components=2)
X_train_pca = pca.fit_transform(X_train_std)
X_test_pca = pca.transform(X_test_std)
from matplotlib.colors import ListedColormap

def plot_decision_regions(X, y, classifier, resolution=0.02):

    # setup marker generator and color map
    markers = ('s', 'x', 'o', '^', 'v')
    colors = ('red', 'blue', 'lightgreen', 'gray', 'cyan')
    cmap = ListedColormap(colors[:len(np.unique(y))])

    # plot the decision surface
    x1_min, x1_max = X[:, 0].min() - 1, X[:, 0].max() + 1
    x2_min, x2_max = X[:, 1].min() - 1, X[:, 1].max() + 1
    xx1, xx2 = np.meshgrid(np.arange(x1_min, x1_max, resolution),
                           np.arange(x2_min, x2_max, resolution))
    Z = classifier.predict(np.array([xx1.ravel(), xx2.ravel()]).T)
    Z = Z.reshape(xx1.shape)
    plt.contourf(xx1, xx2, Z, alpha=0.4, cmap=cmap)
    plt.xlim(xx1.min(), xx1.max())
    plt.ylim(xx2.min(), xx2.max())

    # plot class samples
    for idx, cl in enumerate(np.unique(y)):
        plt.scatter(x=X[y == cl, 0], y=X[y == cl, 1],
                    alpha=0.8, c=cmap(idx),
                    marker=markers[idx], label=cl)
from sklearn.linear_model import LogisticRegression

lr = LogisticRegression()
lr = lr.fit(X_train_pca, y_train)

plot_decision_regions(X_train_pca, y_train, classifier=lr)
plt.xlabel('PC 1')
plt.ylabel('PC 2')
plt.legend(loc='lower left')
plt.show()
plot_decision_regions(X_test_pca, y_test, classifier=lr)
plt.xlabel('PC 1')
plt.ylabel('PC 2')
plt.legend(loc='lower left')
plt.show()<jupyter_output><empty_output><jupyter_text>Explained variance ratios of the different princial components<jupyter_code>pca = PCA(n_components=None)
X_train_pca = pca.fit_transform(X_train_std)
pca.explained_variance_ratio_<jupyter_output><empty_output><jupyter_text>Linear discriminant analysis (LDA) - Standarize the d-dimensional dataset- For each class, compute the d-dimensional mean vector- Construct the between-class scatter matrix Sb and the within-class scatter matrix Sw.- Compute the eighenvectors and corresponding eigenvalues of the matrix Sw-1Sb- Choose the k eigenvectors that correspond to the k largest eigenvalues to construct a dxk-dimensional transformation matrix W; the eigenvectors are the columns of this matrix.- Project the samples onte the new feature subspace using the transformation matrix W.<jupyter_code># calculate the mean vectors for each class
np.set_printoptions(precision=4)

mean_vecs = []
for label in range(1, 4):
    mean_vecs.append(np.mean(X_train_std[y_train == label], axis=0))
    
# compute the within-class scatter matrix
d = 13  # number of features
S_W = np.zeros((d, d))
for label, mv in zip(range(1, 4), mean_vecs):
    class_scatter = np.zeros((d, d))  # scatter matrix for each class
    for row in X_train_std[y_train == label]:
        row, mv = row.reshape(d, 1), mv.reshape(d, 1)  # make column vectors
        class_scatter += (row - mv).dot((row - mv).T)
    S_W += class_scatter                          # sum class scatter matrices
    
S_W = np.zeros((d, d))
for label, mv in zip(range(1, 4), mean_vecs):
    class_scatter = np.cov(X_train_std[y_train == label].T)
    S_W += class_scatter

mean_overall = np.mean(X_train_std, axis=0)
d = 13  # number of features
S_B = np.zeros((d, d))
for i, mean_vec in enumerate(mean_vecs):
    n = X_train[y_train == i + 1, :].shape[0]
    mean_vec = mean_vec.reshape(d, 1)  # make column vector
    mean_overall = mean_overall.reshape(d, 1)  # make column vector
    S_B += n * (mean_vec - mean_overall).dot((mean_vec - mean_overall).T)

print('Between-class scatter matrix: %sx%s' % (S_B.shape[0], S_B.shape[1]))

eigen_vals, eigen_vecs = np.linalg.eig(np.linalg.inv(S_W).dot(S_B))

# Make a list of (eigenvalue, eigenvector) tuples
eigen_pairs = [(np.abs(eigen_vals[i]), eigen_vecs[:, i]) for i in range(len(eigen_vals))]

# Sort the (eigenvalue, eigenvector) tuples from high to low
eigen_pairs = sorted(eigen_pairs, key=lambda k: k[0], reverse=True)

# Visually confirm that the list is correctly sorted by decreasing eigenvalues

print('Eigenvalues in decreasing order:\n')
for eigen_val in eigen_pairs:
    print(eigen_val[0])
tot = sum(eigen_vals.real)
discr = [(i / tot) for i in sorted(eigen_vals.real, reverse=True)]

plt.bar(range(1, 14), discr, alpha=0.5, align='center',
        label='individual "discriminability"')

plt.ylabel('"discriminability" ratio')
plt.xlabel('Linear Discriminants')
plt.ylim([-0.1, 1.1])
plt.legend(loc='best')
plt.show()
w = np.hstack((eigen_pairs[0][1][:, np.newaxis].real, eigen_pairs[1][1][:, np.newaxis].real))

X_train_lda = X_train_std.dot(w)
colors = ['r', 'b', 'g']
markers = ['s', 'x', 'o']

for l, c, m in zip(np.unique(y_train), colors, markers):
    plt.scatter(X_train_lda[y_train == l, 0] * (-1), X_train_lda[y_train == l, 1] * (-1), c=c, label=l, marker=m)

plt.xlabel('LD 1')
plt.ylabel('LD 2')
plt.legend(loc='lower right')
plt.show()<jupyter_output><empty_output><jupyter_text>LDA in scikit-learn<jupyter_code>from sklearn.linear_model import LogisticRegression
from sklearn.discriminant_analysis import LinearDiscriminantAnalysis as LDA

lda = LDA(n_components=2)
X_train_lda = lda.fit_transform(X_train_std, y_train)
lr = LogisticRegression()
lr = lr.fit(X_train_lda, y_train)

plot_decision_regions(X_train_lda, y_train, classifier=lr)
plt.xlabel('LD 1')
plt.ylabel('LD 2')
plt.legend(loc='lower left')
plt.show()
X_test_lda = lda.transform(X_test_std)

plot_decision_regions(X_test_lda, y_test, classifier=lr)
plt.xlabel('LD 1')
plt.ylabel('LD 2')
plt.legend(loc='lower left')
plt.show()<jupyter_output><empty_output><jupyter_text>Kernel principal component analysisThe kernel function can be understood as a function that calculates a dot product between two vectors - a measure of similarity.  RBF kernel PCA<jupyter_code>from scipy.spatial.distance import pdist, squareform
from scipy import exp
from scipy.linalg import eigh
import numpy as np

def rbf_kernel_pca(X, gamma, n_components):
    """
    RBF kernel PCA implementation.

    Parameters
    ------------
    X: {NumPy ndarray}, shape = [n_samples, n_features]
        
    gamma: float
      Tuning parameter of the RBF kernel
        
    n_components: int
      Number of principal components to return

    Returns
    ------------
     X_pc: {NumPy ndarray}, shape = [n_samples, k_features]
       Projected dataset   

    """
    # Calculate pairwise squared Euclidean distances
    # in the MxN dimensional dataset.
    sq_dists = pdist(X, 'sqeuclidean')

    # Convert pairwise distances into a square matrix.
    mat_sq_dists = squareform(sq_dists)

    # Compute the symmetric kernel matrix.
    K = exp(-gamma * mat_sq_dists)

    # Center the kernel matrix.
    N = K.shape[0]
    one_n = np.ones((N, N)) / N
    K = K - one_n.dot(K) - K.dot(one_n) + one_n.dot(K).dot(one_n)

    # Obtaining eigenpairs from the centered kernel matrix
    # numpy.eigh returns them in sorted order
    eigvals, eigvecs = eigh(K)

    # Collect the top k eigenvectors (projected samples)
    X_pc = np.column_stack((eigvecs[:, -i]
                            for i in range(1, n_components + 1)))

    return X_pc<jupyter_output><empty_output><jupyter_text>Example<jupyter_code>from sklearn.datasets import make_circles

X, y = make_circles(n_samples=1000, random_state=123, noise=0.1, factor=0.2)

plt.scatter(X[y == 0, 0], X[y == 0, 1], color='red', marker='^', alpha=0.5)
plt.scatter(X[y == 1, 0], X[y == 1, 1], color='blue', marker='o', alpha=0.5)
plt.show()
X_kpca = rbf_kernel_pca(X, gamma=15, n_components=2)

fig, ax = plt.subplots(nrows=1, ncols=2, figsize=(7, 3))
ax[0].scatter(X_kpca[y == 0, 0], X_kpca[y == 0, 1],
              color='red', marker='^', alpha=0.5)
ax[0].scatter(X_kpca[y == 1, 0], X_kpca[y == 1, 1],
              color='blue', marker='o', alpha=0.5)

ax[1].scatter(X_kpca[y == 0, 0], np.zeros((500, 1)) + 0.02,
              color='red', marker='^', alpha=0.5)
ax[1].scatter(X_kpca[y == 1, 0], np.zeros((500, 1)) - 0.02,
              color='blue', marker='o', alpha=0.5)

ax[0].set_xlabel('PC1')
ax[0].set_ylabel('PC2')
ax[1].set_ylim([-1, 1])
ax[1].set_yticks([])
ax[1].set_xlabel('PC1')
plt.show()<jupyter_output><empty_output>
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