+ + + + +
+Logistic regression will also serve as our stepping stone towards +neural network algorithms and supervised deep learning. For logistic +learning, the minimization of the cost function leads to a non-linear +equation in the parameters \( \hat{\beta} \). The optimization of the +problem calls therefore for minimization algorithms. This forms the +bottle neck of all machine learning algorithms, namely how to find +reliable minima of a multi-variable function. This leads us to the +family of gradient descent methods. The latter are the working horses +of basically all modern machine learning algorithms. + +
+We note also that many of the topics discussed here on logistic +regression are also commonly used in modern supervised Deep Learning +models, as we will see later. + +
+
+ +
+ + +
+ + + + +
+We consider the case where the dependent variables, also called the +responses or the outcomes, \( y_i \) are discrete and only take values +from \( k=0,\dots,K-1 \) (i.e. \( K \) classes). + +
+The goal is to predict the +output classes from the design matrix \( \hat{X}\in\mathbb{R}^{n\times p} \) +made of \( n \) samples, each of which carries \( p \) features or predictors. The +primary goal is to identify the classes to which new unseen samples +belong. + +
+Let us specialize to the case of two classes only, with outputs +\( y_i=0 \) and \( y_i=1 \). Our outcomes could represent the status of a +credit card user that could default or not on her/his credit card +debt. That is + +$$ +y_i = \begin{bmatrix} 0 & \mathrm{no}\\ 1 & \mathrm{yes} \end{bmatrix}. +$$ + +
+
+ +
+ + +
+ + + + +
+Before moving to the logistic model, let us try to use our linear +regression model to classify these two outcomes. We could for example +fit a linear model to the default case if \( y_i > 0.5 \) and the no +default case \( y_i \leq 0.5 \). + +
+We would then have our +weighted linear combination, namely +$$ +\begin{equation} +\hat{y} = \hat{X}^T\hat{\beta} + \hat{\epsilon}, +\tag{13} +\end{equation} +$$ + +where \( \hat{y} \) is a vector representing the possible outcomes, \( \hat{X} \) is our +\( n\times p \) design matrix and \( \hat{\beta} \) represents our estimators/predictors. + +
+
+ +
+ + +
+ + + + +
+The main problem with our function is that it takes values on the +entire real axis. In the case of logistic regression, however, the +labels \( y_i \) are discrete variables. A typical example is the credit +card data discussed below here, where we can set the state of +defaulting the debt to \( y_i=1 \) and not to \( y_i=0 \) for one the persons +in the data set (see the full example below). + +
+One simple way to get a discrete output is to have sign +functions that map the output of a linear regressor to values \( \{0,1\} \), +\( f(s_i)=sign(s_i)=1 \) if \( s_i\ge 0 \) and 0 if otherwise. +We will encounter this model in our first demonstration of neural networks. Historically it is called the "perceptron" model in the machine learning +literature. This model is extremely simple. However, in many cases it is more +favorable to use a ``soft" classifier that outputs +the probability of a given category. This leads us to the logistic function. + +
+
+ +
+ + +
+ + + + +
+The perceptron is an example of a ``hard classification" model. We +will encounter this model when we discuss neural networks as +well. Each datapoint is deterministically assigned to a category (i.e +\( y_i=0 \) or \( y_i=1 \)). In many cases, it is favorable to have a "soft" +classifier that outputs the probability of a given category rather +than a single value. For example, given \( x_i \), the classifier +outputs the probability of being in a category \( k \). Logistic regression +is the most common example of a so-called soft classifier. In logistic +regression, the probability that a data point \( x_i \) +belongs to a category \( y_i=\{0,1\} \) is given by the so-called logit function (or Sigmoid) which is meant to represent the likelihood for a given event, +$$ +p(t) = \frac{1}{1+\mathrm \exp{-t}}=\frac{\exp{t}}{1+\mathrm \exp{t}}. +$$ + +Note that \( 1-p(t)= p(-t) \). + +
+
+ +
+ + +
+ + + + +
+The following code plots the logistic function, the step function and other functions we will encounter from here and on. + +
+ + +
"""The sigmoid function (or the logistic curve) is a
+function that takes any real number, z, and outputs a number (0,1).
+It is useful in neural networks for assigning weights on a relative scale.
+The value z is the weighted sum of parameters involved in the learning algorithm."""
+
+import numpy
+import matplotlib.pyplot as plt
+import math as mt
+
+z = numpy.arange(-5, 5, .1)
+sigma_fn = numpy.vectorize(lambda z: 1/(1+numpy.exp(-z)))
+sigma = sigma_fn(z)
+
+fig = plt.figure()
+ax = fig.add_subplot(111)
+ax.plot(z, sigma)
+ax.set_ylim([-0.1, 1.1])
+ax.set_xlim([-5,5])
+ax.grid(True)
+ax.set_xlabel('z')
+ax.set_title('sigmoid function')
+
+plt.show()
+
+"""Step Function"""
+z = numpy.arange(-5, 5, .02)
+step_fn = numpy.vectorize(lambda z: 1.0 if z >= 0.0 else 0.0)
+step = step_fn(z)
+
+fig = plt.figure()
+ax = fig.add_subplot(111)
+ax.plot(z, step)
+ax.set_ylim([-0.5, 1.5])
+ax.set_xlim([-5,5])
+ax.grid(True)
+ax.set_xlabel('z')
+ax.set_title('step function')
+
+plt.show()
+
+"""tanh Function"""
+z = numpy.arange(-2*mt.pi, 2*mt.pi, 0.1)
+t = numpy.tanh(z)
+
+fig = plt.figure()
+ax = fig.add_subplot(111)
+ax.plot(z, t)
+ax.set_ylim([-1.0, 1.0])
+ax.set_xlim([-2*mt.pi,2*mt.pi])
+ax.grid(True)
+ax.set_xlabel('z')
+ax.set_title('tanh function')
+
+plt.show()
++
+ +
+ + +
+ + + + +
+We assume now that we have two classes with \( y_i \) either \( 0 \) or \( 1 \). Furthermore we assume also that we have only two parameters \( \beta \) in our fitting of the Sigmoid function, that is we define probabilities +$$ +\begin{align*} +p(y_i=1|x_i,\hat{\beta}) &= \frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}},\nonumber\\ +p(y_i=0|x_i,\hat{\beta}) &= 1 - p(y_i=1|x_i,\hat{\beta}), +\end{align*} +$$ + +where \( \hat{\beta} \) are the weights we wish to extract from data, in our case \( \beta_0 \) and \( \beta_1 \). + +
+Note that we used +$$ +p(y_i=0\vert x_i, \hat{\beta}) = 1-p(y_i=1\vert x_i, \hat{\beta}). +$$ + +
+
+ +
+ + +
+ + + + +
+In order to define the total likelihood for all possible outcomes from a +dataset \( \mathcal{D}=\{(y_i,x_i)\} \), with the binary labels +\( y_i\in\{0,1\} \) and where the data points are drawn independently, we use the so-called Maximum Likelihood Estimation (MLE) principle. +We aim thus at maximizing +the probability of seeing the observed data. We can then approximate the +likelihood in terms of the product of the individual probabilities of a specific outcome \( y_i \), that is +$$ +\begin{align*} +P(\mathcal{D}|\hat{\beta})& = \prod_{i=1}^n \left[p(y_i=1|x_i,\hat{\beta})\right]^{y_i}\left[1-p(y_i=1|x_i,\hat{\beta}))\right]^{1-y_i}\nonumber \\ +\end{align*} +$$ + +from which we obtain the log-likelihood and our cost/loss function +$$ +\mathcal{C}(\hat{\beta}) = \sum_{i=1}^n \left( y_i\log{p(y_i=1|x_i,\hat{\beta})} + (1-y_i)\log\left[1-p(y_i=1|x_i,\hat{\beta}))\right]\right). +$$ + +
+
+ +
+ + +
+ + + + +
+Reordering the logarithms, we can rewrite the cost/loss function as +$$ +\mathcal{C}(\hat{\beta}) = \sum_{i=1}^n \left(y_i(\beta_0+\beta_1x_i) -\log{(1+\exp{(\beta_0+\beta_1x_i)})}\right). +$$ + +
+The maximum likelihood estimator is defined as the set of parameters that maximize the log-likelihood where we maximize with respect to \( \beta \). +Since the cost (error) function is just the negative log-likelihood, for logistic regression we have that +$$ +\mathcal{C}(\hat{\beta})=-\sum_{i=1}^n \left(y_i(\beta_0+\beta_1x_i) -\log{(1+\exp{(\beta_0+\beta_1x_i)})}\right). +$$ + +This equation is known in statistics as the cross entropy. Finally, we note that just as in linear regression, +in practice we often supplement the cross-entropy with additional regularization terms, usually \( L_1 \) and \( L_2 \) regularization as we did for Ridge and Lasso regression. + +
+
+ +
+ + +
+ + + + +
+The cross entropy is a convex function of the weights \( \hat{\beta} \) and, +therefore, any local minimizer is a global minimizer. + +
+Minimizing this +cost function with respect to the two parameters \( \beta_0 \) and \( \beta_1 \) we obtain + +$$ +\frac{\partial \mathcal{C}(\hat{\beta})}{\partial \beta_0} = -\sum_{i=1}^n \left(y_i -\frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}}\right), +$$ + +and +$$ +\frac{\partial \mathcal{C}(\hat{\beta})}{\partial \beta_1} = -\sum_{i=1}^n \left(y_ix_i -x_i\frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}}\right). +$$ + +
+
+ +
+ + +
+ + + + +
+Let us now define a vector \( \hat{y} \) with \( n \) elements \( y_i \), an +\( n\times p \) matrix \( \hat{X} \) which contains the \( x_i \) values and a +vector \( \hat{p} \) of fitted probabilities \( p(y_i\vert x_i,\hat{\beta}) \). We can rewrite in a more compact form the first +derivative of cost function as + +$$ +\frac{\partial \mathcal{C}(\hat{\beta})}{\partial \hat{\beta}} = -\hat{X}^T\left(\hat{y}-\hat{p}\right). +$$ + +
+If we in addition define a diagonal matrix \( \hat{W} \) with elements +\( p(y_i\vert x_i,\hat{\beta})(1-p(y_i\vert x_i,\hat{\beta}) \), we can obtain a compact expression of the second derivative as + +$$ +\frac{\partial^2 \mathcal{C}(\hat{\beta})}{\partial \hat{\beta}\partial \hat{\beta}^T} = \hat{X}^T\hat{W}\hat{X}. +$$ + +
+
+ +
+ + +
+ + + + +
+Within a binary classification problem, we can easily expand our model to include multiple predictors. Our ratio between likelihoods is then with \( p \) predictors +$$ +\log{ \frac{p(\hat{\beta}\hat{x})}{1-p(\hat{\beta}\hat{x})}} = \beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p. +$$ + +Here we defined \( \hat{x}=[1,x_1,x_2,\dots,x_p] \) and \( \hat{\beta}=[\beta_0, \beta_1, \dots, \beta_p] \) leading to +$$ +p(\hat{\beta}\hat{x})=\frac{ \exp{(\beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p)}}{1+\exp{(\beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p)}}. +$$ + +
+
+ +
+ + +
+ + + + +
+Till now we have mainly focused on two classes, the so-called binary +system. Suppose we wish to extend to \( K \) classes. Let us for the sake +of simplicity assume we have only two predictors. We have then +following model + +$$ +\log{\frac{p(C=1\vert x)}{p(K\vert x)}} = \beta_{10}+\beta_{11}x_1, +$$ + +$$ +\log{\frac{p(C=2\vert x)}{p(K\vert x)}} = \beta_{20}+\beta_{21}x_1, +$$ + +and so on till the class \( C=K-1 \) class +$$ +\log{\frac{p(C=K-1\vert x)}{p(K\vert x)}} = \beta_{(K-1)0}+\beta_{(K-1)1}x_1, +$$ + +
+and the model is specified in term of \( K-1 \) so-called log-odds or +logit transformations. + +
+
+ +
+ + +
+ + + + +
+In our discussion of neural networks we will encounter the above again +in terms of a slightly modified function, the so-called Softmax function. + +
+The softmax function is used in various multiclass classification +methods, such as multinomial logistic regression (also known as +softmax regression), multiclass linear discriminant analysis, naive +Bayes classifiers, and artificial neural networks. Specifically, in +multinomial logistic regression and linear discriminant analysis, the +input to the function is the result of \( K \) distinct linear functions, +and the predicted probability for the \( k \)-th class given a sample +vector \( \hat{x} \) and a weighting vector \( \hat{\beta} \) is (with two +predictors): + +$$ +p(C=k\vert \mathbf {x} )=\frac{\exp{(\beta_{k0}+\beta_{k1}x_1)}}{1+\sum_{l=1}^{K-1}\exp{(\beta_{l0}+\beta_{l1}x_1)}}. +$$ + +It is easy to extend to more predictors. The final class is +$$ +p(C=K\vert \mathbf {x} )=\frac{1}{1+\sum_{l=1}^{K-1}\exp{(\beta_{l0}+\beta_{l1}x_1)}}, +$$ + +
+and they sum to one. Our earlier discussions were all specialized to +the case with two classes only. It is easy to see from the above that +what we derived earlier is compatible with these equations. + +
+To find the optimal parameters we would typically use a gradient +descent method. Newton's method and gradient descent methods are +discussed in the material on optimization +methods. + +
+
+ +
+ + +
+ + + + +
+ + +
import numpy as np
+from sklearn import datasets, linear_model
+import matplotlib.pyplot as plt
+
+
+def generate_data():
+ np.random.seed(0)
+ X, y = datasets.make_moons(200, noise=0.20)
+ return X, y
+
+
+def visualize(X, y, clf):
+ plot_decision_boundary(lambda x: clf.predict(x), X, y)
+
+def plot_decision_boundary(pred_func, X, y):
+ # Set min and max values and give it some padding
+ x_min, x_max = X[:, 0].min() - .5, X[:, 0].max() + .5
+ y_min, y_max = X[:, 1].min() - .5, X[:, 1].max() + .5
+ h = 0.01
+ # Generate a grid of points with distance h between them
+ xx, yy = np.meshgrid(np.arange(x_min, x_max, h), np.arange(y_min, y_max, h))
+ # Predict the function value for the whole gid
+ Z = pred_func(np.c_[xx.ravel(), yy.ravel()])
+ Z = Z.reshape(xx.shape)
+ # Plot the contour and training examples
+ plt.contourf(xx, yy, Z, cmap=plt.cm.Spectral)
+ plt.scatter(X[:, 0], X[:, 1], c=y, cmap=plt.cm.Spectral)
+ plt.show()
+
+
+def classify(X, y):
+ clf = linear_model.LogisticRegressionCV()
+ clf.fit(X, y)
+ return clf
+
+
+def main():
+ X, y = generate_data()
+ # visualize(X, y)
+ clf = classify(X, y)
+ visualize(X, y, clf)
+
+if __name__ == "__main__":
+ main()
++
+ +
+ + +
+ + + + +
+ + +
import matplotlib.pyplot as plt
+import numpy as np
+from sklearn.model_selection import train_test_split
+from sklearn.datasets import load_breast_cancer
+from sklearn.linear_model import LogisticRegression
+
+# Load the data
+cancer = load_breast_cancer()
+
+X_train, X_test, y_train, y_test = train_test_split(cancer.data,cancer.target,random_state=0)
+print(X_train.shape)
+print(X_test.shape)
+# Logistic Regression
+logreg = LogisticRegression(solver='lbfgs')
+logreg.fit(X_train, y_train)
+print("Test set accuracy with Logistic Regression: {:.2f}".format(logreg.score(X_test,y_test)))
+#now scale the data
+from sklearn.preprocessing import StandardScaler
+scaler = StandardScaler()
+scaler.fit(X_train)
+X_train_scaled = scaler.transform(X_train)
+X_test_scaled = scaler.transform(X_test)
+# Logistic Regression
+logreg.fit(X_train_scaled, y_train)
+print("Test set accuracy Logistic Regression with scaled data: {:.2f}".format(logreg.score(X_test_scaled,y_test)))
++
+ +
+ + +
+ + + + +
+ + +
import matplotlib.pyplot as plt
+import numpy as np
+from sklearn.model_selection import train_test_split
+from sklearn.datasets import load_breast_cancer
+from sklearn.linear_model import LogisticRegression
+
+# Load the data
+cancer = load_breast_cancer()
+
+X_train, X_test, y_train, y_test = train_test_split(cancer.data,cancer.target,random_state=0)
+print(X_train.shape)
+print(X_test.shape)
+# Logistic Regression
+logreg = LogisticRegression(solver='lbfgs')
+logreg.fit(X_train, y_train)
+print("Test set accuracy with Logistic Regression: {:.2f}".format(logreg.score(X_test,y_test)))
+#now scale the data
+from sklearn.preprocessing import StandardScaler
+scaler = StandardScaler()
+scaler.fit(X_train)
+X_train_scaled = scaler.transform(X_train)
+X_test_scaled = scaler.transform(X_test)
+# Logistic Regression
+logreg.fit(X_train_scaled, y_train)
+print("Test set accuracy Logistic Regression with scaled data: {:.2f}".format(logreg.score(X_test_scaled,y_test)))
+
+
+from sklearn.preprocessing import LabelEncoder
+from sklearn.model_selection import cross_validate
+#Cross validation
+accuracy = cross_validate(logreg,X_test_scaled,y_test,cv=10)['test_score']
+print(accuracy)
+print("Test set accuracy with Logistic Regression and scaled data: {:.2f}".format(logreg.score(X_test_scaled,y_test)))
+
+
+import scikitplot as skplt
+y_pred = logreg.predict(X_test_scaled)
+skplt.metrics.plot_confusion_matrix(y_test, y_pred, normalize=True)
+plt.show()
+y_probas = logreg.predict_proba(X_test_scaled)
+skplt.metrics.plot_roc(y_test, y_probas)
+plt.show()
+skplt.metrics.plot_cumulative_gain(y_test, y_probas)
+plt.show()
++ +
+ +
+ + +