Python 3.0+
Chapter One   
from preamble import *
%matplotlib inline

import numpy as np
x = np.array([[1, 2, 3], [4, 5, 6]])
print("x:\n{}".format(x))


from scipy import sparse

# create a 2d NumPy array with a diagonal of ones, and zeros everywhere else
eye = np.eye(4)
print("NumPy array:\n{}".format(eye))

# convert the NumPy array to a SciPy sparse matrix in CSR format
# only the non-zero entries are stored
sparse_matrix = sparse.csr_matrix(eye)
print("\nSciPy sparse CSR matrix:\n{}".format(sparse_matrix))

data = np.ones(4)
row_indices = np.arange(4)
col_indices = np.arange(4)
eye_coo = sparse.coo_matrix((data, (row_indices, col_indices)))  # coo_matrix, a type of sparse matrix
print("COO representation:\n{}".format(eye_coo))

%matplotlib inline
import matplotlib.pyplot as plt

# Generate a sequence numbers from -10 to 10 with 100 steps in between
x = np.linspace(-10, 10, 100)
# create a second array using sinus
y = np.sin(x)
# The plot function makes a line chart of one array against another
plt.plot(x, y, marker="x")



import pandas as pd
from IPython.display import display   #disply

# create a simple dataset of people
data = {'Name': ["John", "Anna", "Peter", "Linda"],
        'Location' : ["New York", "Paris", "Berlin", "London"],
        'Age' : [24, 13, 53, 33]
       }

data_pandas = pd.DataFrame(data)
# IPython.display allows "pretty printing" of dataframes
# in the Jupyter notebook
display(data_pandas)    # Notice: use Ipython's display function


A First Application: Classifying iris species

from sklearn.datasets import load_iris
iris_dataset = load_iris()

print("Keys of iris_dataset: {}".format(iris_dataset.keys()))

print(iris_dataset['DESCR'][:193] + "\n...")

print("Type of data: {}".format(type(iris_dataset['data'])))

print("First five rows of data:\n{}".format(iris_dataset['data'][:5]))

from sklearn.model_selection import train_test_split
X_train, X_test, y_train, y_test = train_test_split(
    iris_dataset['data'], iris_dataset['target'], random_state=0)
	
# create dataframe from data in X_train
# label the columns using the strings in iris_dataset.feature_names
iris_dataframe = pd.DataFrame(X_train, columns=iris_dataset.feature_names)
# create a scatter matrix from the dataframe, color by y_train
pd.plotting.scatter_matrix(iris_dataframe, c=y_train, figsize=(15, 15), marker='o', \  #use scatter_matrix to create pair_plot  Python 3.0+
                           hist_kwds={'bins': 20}, s=60, alpha=.8, cmap=mglearn.cm3)
						   
from sklearn.neighbors import KNeighborsClassifier
knn = KNeighborsClassifier(n_neighbors=1)

knn.fit(X_train, y_train)

X_new = np.array([[5, 2.9, 1, 0.2]])
print("X_new.shape: {}".format(X_new.shape))

prediction = knn.predict(X_new)
print("Prediction: {}".format(prediction))
print("Predicted target name: {}".format( \
       iris_dataset['target_names'][prediction]))
	   

print("Test set score: {:.2f}".format(knn.score(X_test, y_test)))

Chapter Two
---
Chapter Three
---
Chapter Four
Representing Data and Engineering Features
Categorical Variables


import os
import pandas as pd
import mglearn
# The file has no headers naming the columns, so we pass header=None
# and provide the column names explicitly in "names"
adult_path = os.path.join(mglearn.datasets.DATA_PATH, "adult.data")
data = pd.read_csv(
    adult_path, header=None, index_col=False,
    names=['age', 'workclass', 'fnlwgt', 'education',  'education-num',
           'marital-status', 'occupation', 'relationship', 'race', 'gender',
           'capital-gain', 'capital-loss', 'hours-per-week', 'native-country',
           'income'])
# For illustration purposes, we only select some of the columns:
data = data[['age', 'workclass', 'education', 'gender', 'hours-per-week',
             'occupation', 'income']]
# IPython.display allows nice output formatting within the Jupyter notebook
disply(data.head())


print(data.gender.value_counts())

print("Original features:\n", list(data.columns), "\n")
data_dummies = pd.get_dummies(data)
print("Features after get_dummies:\n", list(data_dummies.columns))


display(data_dummies.head(n=2))

# Get only the columns containing features
# that is all columns from 'age' to 'occupation_ Transport-moving'
# This range contains all the features but not the target

features = data_dummies.loc[:, 'age':'occupation_ Transport-moving']
# extract NumPy arrays
X = features.values
y = data_dummies['income_ >50K'].values
print("X.shape: {}  y.shape: {}".format(X.shape, y.shape))

from sklearn.linear_model import LogisticRegression
from sklearn.model_selection import train_test_split
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
logreg = LogisticRegression()
logreg.fit(X_train, y_train)
print("Test score: {:.2f}".format(logreg.score(X_test, y_test)))


Numbers can encode categoricals

# create a DataFrame with an integer feature and a categorical string feature
demo_df = pd.DataFrame({'Integer Feature': [0, 1, 2, 1],
                        'Categorical Feature': ['socks', 'fox', 'socks', 'box']})
display(demo_df)

demo_df['Integer Feature'] = demo_df['Integer Feature'].astype(str)
display(pd.get_dummies(demo_df, columns=['Integer Feature', 'Categorical Feature']))

Binning, Discretization, Linear Models and Trees

from sklearn.linear_model import LinearRegression
from sklearn.tree import DecisionTreeRegressor

X, y = mglearn.datasets.make_wave(n_samples=100)
line = np.linspace(-3, 3, 1000, endpoint=False).reshape(-1, 1)

reg = DecisionTreeRegressor(min_samples_split=3).fit(X, y)
plt.plot(line, reg.predict(line), label="decision tree")

reg = LinearRegression().fit(X, y)
plt.plot(line, reg.predict(line), label="linear regression")

plt.plot(X[:, 0], y, 'o', c='k')
plt.ylabel("Regression output")
plt.xlabel("Input feature")
plt.legend(loc="best")


import numpy as np
bins = np.linspace(-3, 3, 11)
print("bins: {}".format(bins))

which_bin = np.digitize(X, bins=bins)
print("\nData points:\n", X[:5])
print("\nBin membership for data points:\n", which_bin[:5])


from sklearn.preprocessing import OneHotEncoder
# transform using the OneHotEncoder
encoder = OneHotEncoder(sparse=False)
# encoder.fit finds the unique values that appear in which_bin
encoder.fit(which_bin)
# transform creates the one-hot encoding
X_binned = encoder.transform(which_bin)
print(X_binned[:5])


print("X_binned.shape: {}".format(X_binned.shape))


line_binned = encoder.transform(np.digitize(line, bins=bins))

reg = LinearRegression().fit(X_binned, y)
plt.plot(line, reg.predict(line_binned), label='linear regression binned')

reg = DecisionTreeRegressor(min_samples_split=3).fit(X_binned, y)
plt.plot(line, reg.predict(line_binned), label='decision tree binned')
plt.plot(X[:, 0], y, 'o', c='k')
plt.vlines(bins, -3, 3, linewidth=1, alpha=.2)
plt.legend(loc="best")
plt.ylabel("Regression output")
plt.xlabel("Input feature")

Interactions and Polynomials
X_combined = np.hstack([X, X_binned])
print(X_combined.shape)




reg = LinearRegression().fit(X_combined, y)


line_combined = np.hstack([line, line_binned])
plt.plot(line, reg.predict(line_combined), label='linear regression combined')

for bin in bins:
    plt.plot([bin, bin], [-3, 3], ':', c='k', linewidth=1)
plt.legend(loc="best")
plt.ylabel("Regression output")
plt.xlabel("Input feature")
plt.plot(X[:, 0], y, 'o', c='k')


X_product = np.hstack([X_binned, X * X_binned])
print(X_product.shape)
X_binned.shape
X.shape


from sklearn.preprocessing import PolynomialFeatures

# include polynomials up to x ** 10:
# the default "include_bias=True" adds a feature that's constantly 1
poly = PolynomialFeatures(degree=10, include_bias=False)
poly.fit(X)
X_poly = poly.transform(X)

print("Polynomial feature names:\n{}".format(poly.get_feature_names()))



reg = LinearRegression().fit(X_poly, y)

line_poly = poly.transform(line)
plt.plot(line, reg.predict(line_poly), label='polynomial linear regression')
plt.plot(X[:, 0], y, 'o', c='k')
plt.ylabel("Regression output")
plt.xlabel("Input feature")
plt.legend(loc="best")

from sklearn.svm import SVR

for gamma in [1, 10]:
    svr = SVR(gamma=gamma).fit(X, y)
    plt.plot(line, svr.predict(line), label='SVR gamma={}'.format(gamma))

plt.plot(X[:, 0], y, 'o', c='k')
plt.ylabel("Regression output")
plt.xlabel("Input feature")
plt.legend(loc="best")


from sklearn.datasets import load_boston
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import MinMaxScaler

boston = load_boston()
X_train, X_test, y_train, y_test = train_test_split(
    boston.data, boston.target, random_state=0)

# rescale data
scaler = MinMaxScaler()
X_train_scaled = scaler.fit_transform(X_train)
X_test_scaled = scaler.transform(X_test)

poly = PolynomialFeatures(degree=2).fit(X_train_scaled)
X_train_poly = poly.transform(X_train_scaled)
X_test_poly = poly.transform(X_test_scaled)
print("X_train.shape: {}".format(X_train.shape))
print("X_train_poly.shape: {}".format(X_train_poly.shape))

print("Polynomial feature names:\n{}".format(poly.get_feature_names()))

from sklearn.linear_model import Ridge
ridge = Ridge().fit(X_train_scaled, y_train)
print("Score without interactions: {:.3f}".format(
    ridge.score(X_test_scaled, y_test)))
ridge = Ridge().fit(X_train_poly, y_train)
print("Score with interactions: {:.3f}".format(
    ridge.score(X_test_poly, y_test)))
	
	
from sklearn.ensemble import RandomForestRegressor
rf = RandomForestRegressor(n_estimators=100).fit(X_train_scaled, y_train)
print("Score without interactions: {:.3f}".format(
    rf.score(X_test_scaled, y_test)))
rf = RandomForestRegressor(n_estimators=100).fit(X_train_poly, y_train)
print("Score with interactions: {:.3f}".format(rf.score(X_test_poly, y_test)))

Univariate Non-linear transformations

rnd = np.random.RandomState(0)
X_org = rnd.normal(size=(1000, 3))
w = rnd.normal(size=3)

X = rnd.poisson(10 * np.exp(X_org))
y = np.dot(X_org, w)

print("Number of feature appearances:\n{}".format(np.bincount(X[:, 0])))

bins = np.bincount(X[:, 0])              # bincount， 統計每個索引出現的次數
plt.bar(range(len(bins)), bins, color='grey')
plt.ylabel("Number of appearances")
plt.xlabel("Value")

from sklearn.linear_model import Ridge
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
score = Ridge().fit(X_train, y_train).score(X_test, y_test)
print("Test score: {:.3f}".format(score))

X_train_log = np.log(X_train + 1)
X_test_log = np.log(X_test + 1)

plt.hist(X_train_log[:, 0], bins=25, color='gray')
plt.ylabel("Number of appearances")
plt.xlabel("Value")

score = Ridge().fit(X_train_log, y_train).score(X_test_log, y_test)
print("Test score: {:.3f}".format(score))

Automatic Feature Selection
Univariate statistics
from sklearn.datasets import load_breast_cancer
from sklearn.feature_selection import SelectPercentile
from sklearn.model_selection import train_test_split

cancer = load_breast_cancer()

# get deterministic random numbers
rng = np.random.RandomState(42)
noise = rng.normal(size=(len(cancer.data), 50))
# add noise features to the data
# the first 30 features are from the dataset, the next 50 are noise
X_w_noise = np.hstack([cancer.data, noise])

X_train, X_test, y_train, y_test = train_test_split(
    X_w_noise, cancer.target, random_state=0, test_size=.5)
# use f_classif (the default) and SelectPercentile to select 50% of features
select = SelectPercentile(percentile=50)
select.fit(X_train, y_train)
# transform training set
X_train_selected = select.transform(X_train)

print("X_train.shape: {}".format(X_train.shape))
print("X_train_selected.shape: {}".format(X_train_selected.shape))

mask = select.get_support()
print(mask)
# visualize the mask. black is True, white is False
plt.matshow(mask.reshape(1, -1), cmap='gray_r')
plt.xlabel("Sample index")
plt.yticks(())


Model-based Feature Selection
from sklearn.feature_selection import SelectFromModel
from sklearn.ensemble import RandomForestClassifier
select = SelectFromModel(
    RandomForestClassifier(n_estimators=100, random_state=42),
    threshold="median")
	
select.fit(X_train, y_train)
X_train_l1 = select.transform(X_train)
print("X_train.shape: {}".format(X_train.shape))
print("X_train_l1.shape: {}".format(X_train_l1.shape))

Iterative feature selection

from sklearn.feature_selection import RFE
select = RFE(RandomForestClassifier(n_estimators=100, random_state=42),
             n_features_to_select=40)

select.fit(X_train, y_train)
# visualize the selected features:
mask = select.get_support()
plt.matshow(mask.reshape(1, -1), cmap='gray_r')
plt.xlabel("Sample index")
plt.yticks(())

X_train_rfe = select.transform(X_train)
X_test_rfe = select.transform(X_test)

score = LogisticRegression().fit(X_train_rfe, y_train).score(X_test_rfe, y_test)
print("Test score: {:.3f}".format(score))

print("Test score: {:.3f}".format(select.score(X_test, y_test)))

Utilizing Expert Knowledge
citibike = mglearn.datasets.load_citibike()
print("Citibike data:\n{}".format(citibike.head()))
plt.figure(figsize=(10, 3))
xticks = pd.date_range(start=citibike.index.min(), end=citibike.index.max(),
                       freq='D')
plt.xticks(xticks, xticks.strftime("%a %m-%d"), rotation=90, ha="left")
plt.plot(citibike, linewidth=1)
plt.xlabel("Date")
plt.ylabel("Rentals")

# extract the target values (number of rentals)
y = citibike.values
# convert to POSIX time by dividing by 10**9
X = citibike.index.astype("int64").values.reshape(-1, 1) // 10**9  ##reshape （-1，1）轉化成矩陣

# use the first 184 data points for training, the rest for testing
n_train = 184

# function to evaluate and plot a regressor on a given feature set
def eval_on_features(features, target, regressor):
    # split the given features into a training and a test set
    X_train, X_test = features[:n_train], features[n_train:]
    # also split the target array 
    y_train, y_test = target[:n_train], target[n_train:]
    regressor.fit(X_train, y_train)
    print("Test-set R^2: {:.2f}".format(regressor.score(X_test, y_test)))
    y_pred = regressor.predict(X_test)
    y_pred_train = regressor.predict(X_train)
    plt.figure(figsize=(10, 3))

    plt.xticks(range(0, len(X), 8), xticks.strftime("%a %m-%d"), rotation=90,
               ha="left")

    plt.plot(range(n_train), y_train, label="train")
    plt.plot(range(n_train, len(y_test) + n_train), y_test, '-', label="test")
    plt.plot(range(n_train), y_pred_train, '--', label="prediction train")

    plt.plot(range(n_train, len(y_test) + n_train), y_pred, '--',
             label="prediction test")
    plt.legend(loc=(1.01, 0))
    plt.xlabel("Date")
    plt.ylabel("Rentals")
	
from sklearn.ensemble import RandomForestRegressor
regressor = RandomForestRegressor(n_estimators=100, random_state=0)
eval_on_features(X, y, regressor)

X_hour = citibike.index.hour.values.reshape(-1, 1)
eval_on_features(X_hour, y, regressor)

X_hour_week = np.hstack([citibike.index.dayofweek.values.reshape(-1, 1),
                         citibike.index.hour.values.reshape(-1, 1)])
eval_on_features(X_hour_week, y, regressor)

from sklearn.linear_model import LinearRegression
eval_on_features(X_hour_week, y, LinearRegression())

enc = OneHotEncoder()
X_hour_week_onehot = enc.fit_transform(X_hour_week).toarray()

poly_transformer = PolynomialFeatures(degree=2, interaction_only=True,
                                      include_bias=False)
X_hour_week_onehot_poly = poly_transformer.fit_transform(X_hour_week_onehot)
lr = Ridge()
eval_on_features(X_hour_week_onehot_poly, y, lr)

hour = ["%02d:00" % i for i in range(0, 24, 3)]
day = ["Mon", "Tue", "Wed", "Thu", "Fri", "Sat", "Sun"]
features =  day + hour

features_poly = poly_transformer.get_feature_names(features)
features_nonzero = np.array(features_poly)[lr.coef_ != 0]
coef_nonzero = lr.coef_[lr.coef_ != 0]

plt.figure(figsize=(15, 2))
plt.plot(coef_nonzero, 'o')
plt.xticks(np.arange(len(coef_nonzero)), features_nonzero, rotation=90)
plt.xlabel("Feature name")
plt.ylabel("Feature magnitude")

Capture 5 Model Evaluation and Improvement
from preamble import *
%matplotlib inline

from sklearn.datasets import make_blobs
from sklearn.linear_model import LogisticRegression
from sklearn.model_selection import train_test_split

# create a synthetic dataset
X, y = make_blobs(random_state=0)
# split data and labels into a training and a test set
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
# instantiate a model and fit it to the training set
logreg = LogisticRegression().fit(X_train, y_train)
# evaluate the model on the test set
print("Test set score: {:.2f}".format(logreg.score(X_test, y_test)))

Cross-Validation
from sklearn.model_selection import cross_val_score
from sklearn.datasets import load_iris
from sklearn.linear_model import LogisticRegression

iris = load_iris()
logreg = LogisticRegression()

scores = cross_val_score(logreg, iris.data, iris.target)
print("Cross-validation scores: {}".format(scores))

scores = cross_val_score(logreg, iris.data, iris.target, cv=5)
print("Cross-validation scores: {}".format(scores))

rint("Average cross-validation score: {:.2f}".format(scores.mean()))

Stratified K-Fold cross-validation and other strategies
from sklearn.datasets import load_iris
iris = load_iris()
print("Iris labels:\n{}".format(iris.target))

More control over cross-validation

from sklearn.model_selection import KFold
kfold = KFold(n_splits=5)

print("Cross-validation scores:\n{}".format(
      cross_val_score(logreg, iris.data, iris.target, cv=kfold)))
	  
kfold = KFold(n_splits=3)
print("Cross-validation scores:\n{}".format(
    cross_val_score(logreg, iris.data, iris.target, cv=kfold)))
	

Leave-one-out cross-validation	
from sklearn.model_selection import LeaveOneOut
loo = LeaveOneOut()
scores = cross_val_score(logreg, iris.data, iris.target, cv=loo)
print("Number of cv iterations: ", len(scores))
print("Mean accuracy: {:.2f}".format(scores.mean()))


Leave-one-out cross-validation
from sklearn.model_selection import LeaveOneOut
loo = LeaveOneOut()
scores = cross_val_score(logreg, iris.data, iris.target, cv=loo)
print("Number of cv iterations: ", len(scores))
print("Mean accuracy: {:.2f}".format(scores.mean()))

Shuffle-split cross-validation
from sklearn.model_selection import ShuffleSplit
shuffle_split = ShuffleSplit(test_size=.5, train_size=.5, n_splits=10)
scores = cross_val_score(logreg, iris.data, iris.target, cv=shuffle_split)
print("Cross-validation scores:\n{}".format(scores))


Cross-validation with groups

from sklearn.model_selection import GroupKFold
# create synthetic dataset
X, y = make_blobs(n_samples=12, random_state=0)
# assume the first three samples belong to the same group,
# then the next four, etc
groups = [0, 0, 0, 1, 1, 1, 1, 2, 2, 3, 3, 3]
scores = cross_val_score(logreg, X, y, groups, cv=GroupKFold(n_splits=3))
print("Cross-validation scores:\n{}".format(scores))

Grid Search
# naive grid search implementation
from sklearn.svm import SVC
X_train, X_test, y_train, y_test = train_test_split(iris.data, iris.target,
                                                    random_state=0)
print("Size of training set: {}   size of test set: {}".format(
      X_train.shape[0], X_test.shape[0]))

best_score = 0

for gamma in [0.001, 0.01, 0.1, 1, 10, 100]:
    for C in [0.001, 0.01, 0.1, 1, 10, 100]:
        # for each combination of parameters, train an SVC
        svm = SVC(gamma=gamma, C=C)
        svm.fit(X_train, y_train)
        # evaluate the SVC on the test set
        score = svm.score(X_test, y_test)
        # if we got a better score, store the score and parameters
        if score > best_score:
            best_score = score
            best_parameters = {'C': C, 'gamma': gamma}

print("Best score: {:.2f}".format(best_score))
print("Best parameters: {}".format(best_parameters))


from sklearn.svm import SVC
# split data into train+validation set and test set
X_trainval, X_test, y_trainval, y_test = train_test_split(
    iris.data, iris.target, random_state=0)
# split train+validation set into training and validation sets
X_train, X_valid, y_train, y_valid = train_test_split(
    X_trainval, y_trainval, random_state=1)
print("Size of training set: {}   size of validation set: {}   size of test set:"
      " {}\n".format(X_train.shape[0], X_valid.shape[0], X_test.shape[0]))

best_score = 0

for gamma in [0.001, 0.01, 0.1, 1, 10, 100]:
    for C in [0.001, 0.01, 0.1, 1, 10, 100]:
        # for each combination of parameters train an SVC
        svm = SVC(gamma=gamma, C=C)
        svm.fit(X_train, y_train)
        # evaluate the SVC on the validation set
        score = svm.score(X_valid, y_valid)
        # if we got a better score, store the score and parameters
        if score > best_score:
            best_score = score
            best_parameters = {'C': C, 'gamma': gamma}

# rebuild a model on the combined training and validation set,
# and evaluate it on the test set
svm = SVC(**best_parameters)
svm.fit(X_trainval, y_trainval)
test_score = svm.score(X_test, y_test)
print("Best score on validation set: {:.2f}".format(best_score))
print("Best parameters: ", best_parameters)
print("Test set score with best parameters: {:.2f}".format(test_score))

Grid-search with cross-validation
# reference: manual_grid_search_cv
for gamma in [0.001, 0.01, 0.1, 1, 10, 100]:
    for C in [0.001, 0.01, 0.1, 1, 10, 100]:
        # for each combination of parameters,
        # train an SVC
        svm = SVC(gamma=gamma, C=C)
        # perform cross-validation
        scores = cross_val_score(svm, X_trainval, y_trainval, cv=5)
        # compute mean cross-validation accuracy
        score = np.mean(scores)
        # if we got a better score, store the score and parameters
        if score > best_score:
            best_score = score
            best_parameters = {'C': C, 'gamma': gamma}
# rebuild a model on the combined training and validation set
svm = SVC(**best_parameters)
svm.fit(X_trainval, y_trainval)

from sklearn.model_selection import GridSearchCV
from sklearn.svm import SVC
grid_search = GridSearchCV(SVC(), param_grid, cv=5)

grid_search.fit(X_train, y_train)
print("Test set score: {:.2f}".format(grid_search.score(X_test, y_test)))
print("Best parameters: {}".format(grid_search.best_params_))
print("Best cross-validation score: {:.2f}".format(grid_search.best_score_))
print("Best estimator:\n{}".format(grid_search.best_estimator_))

Analyzing the result of cross-validation
import pandas as pd
# convert to Dataframe
results = pd.DataFrame(grid_search.cv_results_)
# show the first 5 rows
display(results.head())
scores = np.array(results.mean_test_score).reshape(6, 6)

# plot the mean cross-validation scores
mglearn.tools.heatmap(scores, xlabel='gamma', xticklabels=param_grid['gamma'],
                      ylabel='C', yticklabels=param_grid['C'], cmap="viridis")
					  
fig, axes = plt.subplots(1, 3, figsize=(13, 5))

param_grid_linear = {'C': np.linspace(1, 2, 6),
                     'gamma':  np.linspace(1, 2, 6)}

param_grid_one_log = {'C': np.linspace(1, 2, 6),
                      'gamma':  np.logspace(-3, 2, 6)}

param_grid_range = {'C': np.logspace(-3, 2, 6),
                    'gamma':  np.logspace(-7, -2, 6)}

for param_grid, ax in zip([param_grid_linear, param_grid_one_log,
                           param_grid_range], axes):
    grid_search = GridSearchCV(SVC(), param_grid, cv=5)
    grid_search.fit(X_train, y_train)
    scores = grid_search.cv_results_['mean_test_score'].reshape(6, 6)

    # plot the mean cross-validation scores
    scores_image = mglearn.tools.heatmap(
        scores, xlabel='gamma', ylabel='C', xticklabels=param_grid['gamma'],
        yticklabels=param_grid['C'], cmap="viridis", ax=ax)

plt.colorbar(scores_image, ax=axes.tolist())

Nested cross-validation

param_grid = {'C': [0.001, 0.01, 0.1, 1, 10, 100],
              'gamma': [0.001, 0.01, 0.1, 1, 10, 100]}
scores = cross_val_score(GridSearchCV(SVC(), param_grid, cv=5),
                         iris.data, iris.target, cv=5)
print("Cross-validation scores: ", scores)
print("Mean cross-validation score: ", scores.mean())

def nested_cv(X, y, inner_cv, outer_cv, Classifier, parameter_grid):
    outer_scores = []
    # for each split of the data in the outer cross-validation
    # (split method returns indices of training and test part)
    for training_samples, test_samples in outer_cv.split(X, y):
        # find best parameter using inner cross-validation
        best_parms = {}
        best_score = -np.inf
        # iterate over parameters
        for parameters in parameter_grid:
            # accumulate score over inner splits
            cv_scores = []
            # iterate over inner cross-validation
            for inner_train, inner_test in inner_cv.split(   # 注意StratifiedKFold(5) 等有split方法
                    X[training_samples], y[training_samples]):
                # build classifier given parameters and training data
                clf = Classifier(**parameters)
                clf.fit(X[inner_train], y[inner_train])
                # evaluate on inner test set
                score = clf.score(X[inner_test], y[inner_test])
                cv_scores.append(score)
            # compute mean score over inner folds
            mean_score = np.mean(cv_scores)
            if mean_score > best_score:
                # if better than so far, remember parameters
                best_score = mean_score
                best_params = parameters
        # build classifier on best parameters using outer training set
        clf = Classifier(**best_params)
        clf.fit(X[training_samples], y[training_samples])
        # evaluate
        outer_scores.append(clf.score(X[test_samples], y[test_samples]))
    return np.array(outer_scores)
	
from sklearn.model_selection import ParameterGrid, StratifiedKFold
scores = nested_cv(iris.data, iris.target, StratifiedKFold(5),
                   StratifiedKFold(5), SVC, ParameterGrid(param_grid))
print("Cross-validation scores: {}".format(scores))

Evaluation Metrics and Scoring
Imbalanced datasets
from sklearn.datasets import load_digits

digits = load_digits()
y = digits.target == 9

X_train, X_test, y_train, y_test = train_test_split(
    digits.data, y, random_state=0)
	
from sklearn.dummy import DummyClassifier
dummy_majority = DummyClassifier(strategy='most_frequent').fit(X_train, y_train)
pred_most_frequent = dummy_majority.predict(X_test)
print("Unique predicted labels: {}".format(np.unique(pred_most_frequent)))
print("Test score: {:.2f}".format(dummy_majority.score(X_test, y_test)))

Confusion matrices

from sklearn.metrics import confusion_matrix

confusion = confusion_matrix(y_test, pred_logreg)
print("Confusion matrix:\n{}".format(confusion))

from sklearn.metrics import f1_score
print("f1 score most frequent: {:.2f}".format(
    f1_score(y_test, pred_most_frequent)))
print("f1 score dummy: {:.2f}".format(f1_score(y_test, pred_dummy)))
print("f1 score tree: {:.2f}".format(f1_score(y_test, pred_tree)))
print("f1 score logistic regression: {:.2f}".format(
    f1_score(y_test, pred_logreg)))
	

Taking uncertainty into account

from mglearn.datasets import make_blobs
X, y = make_blobs(n_samples=(400, 50), centers=2, cluster_std=[7.0, 2],
                  random_state=22)
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
svc = SVC(gamma=.05).fit(X_train, y_train)

print(classification_report(y_test, svc.predict(X_test)))

y_pred_lower_threshold = svc.decision_function(X_test) > -.8
print(classification_report(y_test, y_pred_lower_threshold))

Precision-Recall curves and ROC curves

from sklearn.metrics import precision_recall_curve
precision, recall, thresholds = precision_recall_curve(
    y_test, svc.decision_function(X_test))
	
# create a similar dataset as before, but with more samples
# to get a smoother curve
X, y = make_blobs(n_samples=(4000, 500), centers=2, cluster_std=[7.0, 2],
                  random_state=22)
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
svc = SVC(gamma=.05).fit(X_train, y_train)
precision, recall, thresholds = precision_recall_curve(
    y_test, svc.decision_function(X_test))
# find threshold closest to zero
close_zero = np.argmin(np.abs(thresholds))
plt.plot(precision[close_zero], recall[close_zero], 'o', markersize=10,
         label="threshold zero", fillstyle="none", c='k', mew=2)

plt.plot(precision, recall, label="precision recall curve")
plt.xlabel("Precision")
plt.ylabel("Recall")
plt.legend(loc="best")


from sklearn.ensemble import RandomForestClassifier

rf = RandomForestClassifier(n_estimators=100, random_state=0, max_features=2)
rf.fit(X_train, y_train)

# RandomForestClassifier has predict_proba, but not decision_function
precision_rf, recall_rf, thresholds_rf = precision_recall_curve(
    y_test, rf.predict_proba(X_test)[:, 1])

plt.plot(precision, recall, label="svc")

plt.plot(precision[close_zero], recall[close_zero], 'o', markersize=10,
         label="threshold zero svc", fillstyle="none", c='k', mew=2)

plt.plot(precision_rf, recall_rf, label="rf")

close_default_rf = np.argmin(np.abs(thresholds_rf - 0.5))
plt.plot(precision_rf[close_default_rf], recall_rf[close_default_rf], '^', c='k',
         markersize=10, label="threshold 0.5 rf", fillstyle="none", mew=2)
plt.xlabel("Precision")
plt.ylabel("Recall")
plt.legend(loc="best")

print("f1_score of random forest: {:.3f}".format(
    f1_score(y_test, rf.predict(X_test))))
print("f1_score of svc: {:.3f}".format(f1_score(y_test, svc.predict(X_test))))

from sklearn.metrics import average_precision_score
ap_rf = average_precision_score(y_test, rf.predict_proba(X_test)[:, 1])
ap_svc = average_precision_score(y_test, svc.decision_function(X_test))
print("Average precision of random forest: {:.3f}".format(ap_rf))
print("Average precision of svc: {:.3f}".format(ap_svc))

from sklearn.metrics import roc_curve
fpr, tpr, thresholds = roc_curve(y_test, svc.decision_function(X_test))

plt.plot(fpr, tpr, label="ROC Curve")
plt.xlabel("FPR")
plt.ylabel("TPR (recall)")
# find threshold closest to zero
close_zero = np.argmin(np.abs(thresholds))
plt.plot(fpr[close_zero], tpr[close_zero], 'o', markersize=10,
         label="threshold zero", fillstyle="none", c='k', mew=2)
plt.legend(loc=4)

from sklearn.metrics import roc_auc_score
rf_auc = roc_auc_score(y_test, rf.predict_proba(X_test)[:, 1])
svc_auc = roc_auc_score(y_test, svc.decision_function(X_test))
print("AUC for Random Forest: {:.3f}".format(rf_auc))
print("AUC for SVC: {:.3f}".format(svc_auc))


y = digits.target == 9

X_train, X_test, y_train, y_test = train_test_split(
    digits.data, y, random_state=0)

plt.figure()

for gamma in [1, 0.05, 0.01]:
    svc = SVC(gamma=gamma).fit(X_train, y_train)
    accuracy = svc.score(X_test, y_test)
    auc = roc_auc_score(y_test, svc.decision_function(X_test))
    fpr, tpr, _ = roc_curve(y_test , svc.decision_function(X_test))
    print("gamma = {:.2f}  accuracy = {:.2f}  AUC = {:.2f}".format(
        gamma, accuracy, auc))
    plt.plot(fpr, tpr, label="gamma={:.3f}".format(gamma))
plt.xlabel("FPR")
plt.ylabel("TPR")
plt.xlim(-0.01, 1)
plt.ylim(0, 1.02)
plt.legend(loc="best")

Multi-class classification

from sklearn.metrics import accuracy_score
X_train, X_test, y_train, y_test = train_test_split(
    digits.data, digits.target, random_state=0)
lr = LogisticRegression().fit(X_train, y_train)
pred = lr.predict(X_test)
print("Accuracy: {:.3f}".format(accuracy_score(y_test, pred)))
print("Confusion matrix:\n{}".format(confusion_matrix(y_test, pred)))


scores_image = mglearn.tools.heatmap(
    confusion_matrix(y_test, pred), xlabel='Predicted label',
    ylabel='True label', xticklabels=digits.target_names,
    yticklabels=digits.target_names, cmap=plt.cm.gray_r, fmt="%d")
plt.title("Confusion matrix")
plt.gca().invert_yaxis()

Using evaluation metrics in model selection

# default scoring for classification is accuracy
print("Default scoring: {}".format(
    cross_val_score(SVC(), digits.data, digits.target == 9)))
# providing scoring="accuracy" doesn't change the results
explicit_accuracy =  cross_val_score(SVC(), digits.data, digits.target == 9,
                                     scoring="accuracy")
print("Explicit accuracy scoring: {}".format(explicit_accuracy))
roc_auc =  cross_val_score(SVC(), digits.data, digits.target == 9,
                           scoring="roc_auc")
print("AUC scoring: {}".format(roc_auc))

X_train, X_test, y_train, y_test = train_test_split(
    digits.data, digits.target == 9, random_state=0)

# we provide a somewhat bad grid to illustrate the point:
param_grid = {'gamma': [0.0001, 0.01, 0.1, 1, 10]}
# using the default scoring of accuracy:
grid = GridSearchCV(SVC(), param_grid=param_grid)
grid.fit(X_train, y_train)
print("Grid-Search with accuracy")
print("Best parameters:", grid.best_params_)
print("Best cross-validation score (accuracy)): {:.3f}".format(grid.best_score_))
print("Test set AUC: {:.3f}".format(
    roc_auc_score(y_test, grid.decision_function(X_test))))
print("Test set accuracy: {:.3f}".format(grid.score(X_test, y_test)))

# using AUC scoring instead:
grid = GridSearchCV(SVC(), param_grid=param_grid, scoring="roc_auc")
grid.fit(X_train, y_train)
print("\nGrid-Search with AUC")
print("Best parameters:", grid.best_params_)
print("Best cross-validation score (AUC): {:.3f}".format(grid.best_score_))
print("Test set AUC: {:.3f}".format(
    roc_auc_score(y_test, grid.decision_function(X_test))))
print("Test set accuracy: {:.3f}".format(grid.score(X_test, y_test)))

from sklearn.metrics.scorer import SCORERS
print("Available scorers:\n{}".format(sorted(SCORERS.keys())))

Capture six

from preamble import *
%matplotlib inline

from sklearn.svm import SVC
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import MinMaxScaler

# load and split the data
cancer = load_breast_cancer()
X_train, X_test, y_train, y_test = train_test_split(
    cancer.data, cancer.target, random_state=0)

# compute minimum and maximum on the training data
scaler = MinMaxScaler().fit(X_train)

# rescale the training data
X_train_scaled = scaler.transform(X_train)

svm = SVC()
# learn an SVM on the scaled training data
svm.fit(X_train_scaled, y_train)
# scale the test data and score the scaled data
X_test_scaled = scaler.transform(X_test)
print("Test score: {:.2f}".format(svm.score(X_test_scaled, y_test)))

Parameter Selection with Preprocessing
from sklearn.model_selection import GridSearchCV
# for illustration purposes only, don't use this code!
param_grid = {'C': [0.001, 0.01, 0.1, 1, 10, 100],
              'gamma': [0.001, 0.01, 0.1, 1, 10, 100]}
grid = GridSearchCV(SVC(), param_grid=param_grid, cv=5)
grid.fit(X_train_scaled, y_train)
print("Best cross-validation accuracy: {:.2f}".format(grid.best_score_))
print("Best parameters: ", grid.best_params_)
print("Test set accuracy: {:.2f}".format(grid.score(X_test_scaled, y_test)))

Building Pipelines
from sklearn.pipeline import Pipeline
pipe = Pipeline([("scaler", MinMaxScaler()), ("svm", SVC())])

pipe.fit(X_train, y_train)

print("Test score: {:.2f}".format(pipe.score(X_test, y_test)))

Using Pipelines in Grid-searches
param_grid = {'svm__C': [0.001, 0.01, 0.1, 1, 10, 100],
              'svm__gamma': [0.001, 0.01, 0.1, 1, 10, 100]}
			  

grid = GridSearchCV(pipe, param_grid=param_grid, cv=5)
grid.fit(X_train, y_train)
print("Best cross-validation accuracy: {:.2f}".format(grid.best_score_))
print("Test set score: {:.2f}".format(grid.score(X_test, y_test)))
print("Best parameters: {}".format(grid.best_params_))

rnd = np.random.RandomState(seed=0)
X = rnd.normal(size=(100, 10000))
y = rnd.normal(size=(100,))

from sklearn.feature_selection import SelectPercentile, f_regression

select = SelectPercentile(score_func=f_regression, percentile=5).fit(X, y)
X_selected = select.transform(X)
print("X_selected.shape: {}".format(X_selected.shape))

from sklearn.model_selection import cross_val_score
from sklearn.linear_model import Ridge
print("Cross-validation accuracy (cv only on ridge): {:.2f}".format(
      np.mean(cross_val_score(Ridge(), X_selected, y, cv=5))))
	  
	  
pipe = Pipeline([("select", SelectPercentile(score_func=f_regression,
                                             percentile=5)),
                 ("ridge", Ridge())])
print("Cross-validation accuracy (pipeline): {:.2f}".format(
      np.mean(cross_val_score(pipe, X, y, cv=5))))
	  


The General Pipeline Interface

def fit(self, X, y):
    X_transformed = X
    for name, estimator in self.steps[:-1]:
        # iterate over all but the final step
        # fit and transform the data
        X_transformed = estimator.fit_transform(X_transformed, y)
    # fit the last step
    self.steps[-1][1].fit(X_transformed, y)
    return self
	
def predict(self, X):
    X_transformed = X
    for step in self.steps[:-1]:
        # iterate over all but the final step
        # transform the data
        X_transformed = step[1].transform(X_transformed)
    # predict using the last step
    return self.steps[-1][1].predict(X_transformed)

Convenient Pipeline creation with make_pipeline
	
from sklearn.pipeline import make_pipeline
# standard syntax
pipe_long = Pipeline([("scaler", MinMaxScaler()), ("svm", SVC(C=100))])
# abbreviated syntax
pipe_short = make_pipeline(MinMaxScaler(), SVC(C=100))

print("Pipeline steps:\n{}".format(pipe_short.steps))

from sklearn.preprocessing import StandardScaler
from sklearn.decomposition import PCA

pipe = make_pipeline(StandardScaler(), PCA(n_components=2), StandardScaler())
print("Pipeline steps:\n{}".format(pipe.steps))

Accessing step attributes

# fit the pipeline defined before to the cancer dataset
pipe.fit(cancer.data)
# extract the first two principal components from the "pca" step
components = pipe.named_steps["pca"].components_
print("components.shape: {}".format(components.shape))

Accessing Attributes in a Pipeline inside GridSearchCV


from sklearn.linear_model import LogisticRegression

pipe = make_pipeline(StandardScaler(), LogisticRegression())

param_grid = {'logisticregression__C': [0.01, 0.1, 1, 10, 100]}

X_train, X_test, y_train, y_test = train_test_split(
    cancer.data, cancer.target, random_state=4)
grid = GridSearchCV(pipe, param_grid, cv=5)
grid.fit(X_train, y_train)

print("Best estimator:\n{}".format(grid.best_estimator_))

print("Logistic regression step:\n{}".format(
      grid.best_estimator_.named_steps["logisticregression"]))
	  
Grid-searching preprocessing steps and model parameters


from sklearn.datasets import load_boston
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import StandardScaler
from sklearn.linear_model import Ridge
boston = load_boston()
X_train, X_test, y_train, y_test = train_test_split(boston.data, boston.target,
                                                    random_state=0)

from sklearn.preprocessing import PolynomialFeatures
pipe = make_pipeline(
    StandardScaler(),
    PolynomialFeatures(),
    Ridge())
	
param_grid = {'polynomialfeatures__degree': [1, 2, 3],
              'ridge__alpha': [0.001, 0.01, 0.1, 1, 10, 100]}
			  
grid = GridSearchCV(pipe, param_grid=param_grid, cv=5, n_jobs=-1)
grid.fit(X_train, y_train)

print("Best parameters: {}".format(grid.best_params_))
print("Test-set score: {:.2f}".format(grid.score(X_test, y_test)))


param_grid = {'ridge__alpha': [0.001, 0.01, 0.1, 1, 10, 100]}
pipe = make_pipeline(StandardScaler(), Ridge())
grid = GridSearchCV(pipe, param_grid, cv=5)
grid.fit(X_train, y_train)
print("Score without poly features: {:.2f}".format(grid.score(X_test, y_test)))

pipe = Pipeline([('preprocessing', StandardScaler()), ('classifier', SVC())])

from sklearn.ensemble import RandomForestClassifier

param_grid = [
    {'classifier': [SVC()], 'preprocessing': [StandardScaler(), None],
     'classifier__gamma': [0.001, 0.01, 0.1, 1, 10, 100],
     'classifier__C': [0.001, 0.01, 0.1, 1, 10, 100]},
    {'classifier': [RandomForestClassifier(n_estimators=100)],
     'preprocessing': [None], 'classifier__max_features': [1, 2, 3]}]
	 
	
X_train, X_test, y_train, y_test = train_test_split(
    cancer.data, cancer.target, random_state=0)

grid = GridSearchCV(pipe, param_grid, cv=5)
grid.fit(X_train, y_train)

print("Best params:\n{}\n".format(grid.best_params_))
print("Best cross-validation score: {:.2f}".format(grid.best_score_))
print("Test-set score: {:.2f}".format(grid.score(X_test, y_test)))

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