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6.1. Logistic Regression
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6.2. Basics
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6.3. The logistic function
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<h1>Logistic Regression</h1>
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6.1. Logistic Regression
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6.2. Basics
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6.3. The logistic function
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<!-- HTML file automatically generated from DocOnce source (https://github.com/doconce/doconce/)
doconce format html chapter4.do.txt --><div class="tex2jax_ignore mathjax_ignore section" id="logistic-regression">
<h1><span class="section-number">6. </span>Logistic Regression<a class="headerlink" href="#logistic-regression" title="Permalink to this headline"></a></h1>
<div class="section" id="id1">
<h2><span class="section-number">6.1. </span>Logistic Regression<a class="headerlink" href="#id1" title="Permalink to this headline"></a></h2>
<p>In linear regression our main interest was centered on learning the
coefficients of a functional fit (say a polynomial) in order to be
able to predict the response of a continuous variable on some unseen
data. The fit to the continuous variable <span class="math notranslate nohighlight">\(y_i\)</span> is based on some
independent variables <span class="math notranslate nohighlight">\(x_i\)</span>. Linear regression resulted in
analytical expressions for standard ordinary Least Squares or Ridge
regression (in terms of matrices to invert) for several quantities,
ranging from the variance and thereby the confidence intervals of the
optimal parameters <span class="math notranslate nohighlight">\(\hat{\beta}\)</span> to the mean squared error. If we can invert
the product of the design matrices, linear regression gives then a
simple recipe for fitting our data.</p>
<p>Classification problems, however, are concerned with outcomes taking
the form of discrete variables (i.e. categories). We may for example,
on the basis of DNA sequencing for a number of patients, like to find
out which mutations are important for a certain disease; or based on
scans of various patients brains, figure out if there is a tumor or
not; or given a specific physical system, wed like to identify its
state, say whether it is an ordered or disordered system (typical
situation in solid state physics); or classify the status of a
patient, whether she/he has a stroke or not and many other similar
situations.</p>
<p>The most common situation we encounter when we apply logistic
regression is that of two possible outcomes, normally denoted as a
binary outcome, true or false, positive or negative, success or
failure etc.</p>
<p>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 <span class="math notranslate nohighlight">\(\hat{\beta}\)</span>. 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.</p>
<p>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.</p>
</div>
<div class="section" id="basics">
<h2><span class="section-number">6.2. </span>Basics<a class="headerlink" href="#basics" title="Permalink to this headline"></a></h2>
<p>We consider the case where the dependent variables, also called the
responses or the outcomes, <span class="math notranslate nohighlight">\(y_i\)</span> are discrete and only take values
from <span class="math notranslate nohighlight">\(k=0,\dots,K-1\)</span> (i.e. <span class="math notranslate nohighlight">\(K\)</span> classes).</p>
<p>The goal is to predict the
output classes from the design matrix <span class="math notranslate nohighlight">\(\boldsymbol{X}\in\mathbb{R}^{n\times p}\)</span>
made of <span class="math notranslate nohighlight">\(n\)</span> samples, each of which carries <span class="math notranslate nohighlight">\(p\)</span> features or predictors. The
primary goal is to identify the classes to which new unseen samples
belong.</p>
<p>Let us specialize to the case of two classes only, with outputs
<span class="math notranslate nohighlight">\(y_i=0\)</span> and <span class="math notranslate nohighlight">\(y_i=1\)</span>. Our outcomes could represent the status of a
credit card user that could default or not on her/his credit card
debt. That is</p>
<div class="math notranslate nohighlight">
\[\begin{split}
y_i = \begin{bmatrix} 0 &amp; \mathrm{no}\\ 1 &amp; \mathrm{yes} \end{bmatrix}.
\end{split}\]</div>
<p>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 <span class="math notranslate nohighlight">\(y_i &gt; 0.5\)</span> and the no
default case <span class="math notranslate nohighlight">\(y_i \leq 0.5\)</span>.</p>
<p>We would then have our
weighted linear combination, namely</p>
<!-- Equation labels as ordinary links -->
<div id="_auto1"></div>
<div class="math notranslate nohighlight">
\[
\begin{equation}
\boldsymbol{y} = \boldsymbol{X}^T\boldsymbol{\beta} + \boldsymbol{\epsilon},
\label{_auto1} \tag{1}
\end{equation}
\]</div>
<p>where <span class="math notranslate nohighlight">\(\boldsymbol{y}\)</span> is a vector representing the possible outcomes, <span class="math notranslate nohighlight">\(\boldsymbol{X}\)</span> is our
<span class="math notranslate nohighlight">\(n\times p\)</span> design matrix and <span class="math notranslate nohighlight">\(\boldsymbol{\beta}\)</span> represents our estimators/predictors.</p>
<p>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 <span class="math notranslate nohighlight">\(y_i\)</span> 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 <span class="math notranslate nohighlight">\(y_i=1\)</span> and not to <span class="math notranslate nohighlight">\(y_i=0\)</span> for one the persons
in the data set (see the full example below).</p>
<p>One simple way to get a discrete output is to have sign
functions that map the output of a linear regressor to values <span class="math notranslate nohighlight">\(\{0,1\}\)</span>,
<span class="math notranslate nohighlight">\(f(s_i)=sign(s_i)=1\)</span> if <span class="math notranslate nohighlight">\(s_i\ge 0\)</span> and 0 if otherwise.
We will encounter this model in our first demonstration of neural networks. Historically it is called the <code class="docutils literal notranslate"><span class="pre">perceptron&quot;</span> <span class="pre">model</span> <span class="pre">in</span> <span class="pre">the</span> <span class="pre">machine</span> <span class="pre">learning</span> <span class="pre">literature.</span> <span class="pre">This</span> <span class="pre">model</span> <span class="pre">is</span> <span class="pre">extremely</span> <span class="pre">simple.</span> <span class="pre">However,</span> <span class="pre">in</span> <span class="pre">many</span> <span class="pre">cases</span> <span class="pre">it</span> <span class="pre">is</span> <span class="pre">more</span> <span class="pre">favorable</span> <span class="pre">to</span> <span class="pre">use</span> <span class="pre">a</span> </code>soft” classifier that outputs
the probability of a given category. This leads us to the logistic function.</p>
<p>The following example on data for coronary heart disease (CHD) as function of age may serve as an illustration. In the code here we read and plot whether a person has had CHD (output = 1) or not (output = 0). This ouput is plotted the persons against age. Clearly, the figure shows that attempting to make a standard linear regression fit may not be very meaningful.</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="o">%</span><span class="k">matplotlib</span> inline
<span class="c1"># Common imports</span>
<span class="kn">import</span> <span class="nn">os</span>
<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
<span class="kn">import</span> <span class="nn">pandas</span> <span class="k">as</span> <span class="nn">pd</span>
<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">from</span> <span class="nn">sklearn.linear_model</span> <span class="kn">import</span> <span class="n">LinearRegression</span><span class="p">,</span> <span class="n">Ridge</span><span class="p">,</span> <span class="n">Lasso</span>
<span class="kn">from</span> <span class="nn">sklearn.model_selection</span> <span class="kn">import</span> <span class="n">train_test_split</span>
<span class="kn">from</span> <span class="nn">sklearn.utils</span> <span class="kn">import</span> <span class="n">resample</span>
<span class="kn">from</span> <span class="nn">sklearn.metrics</span> <span class="kn">import</span> <span class="n">mean_squared_error</span>
<span class="kn">from</span> <span class="nn">IPython.display</span> <span class="kn">import</span> <span class="n">display</span>
<span class="kn">from</span> <span class="nn">pylab</span> <span class="kn">import</span> <span class="n">plt</span><span class="p">,</span> <span class="n">mpl</span>
<span class="n">plt</span><span class="o">.</span><span class="n">style</span><span class="o">.</span><span class="n">use</span><span class="p">(</span><span class="s1">&#39;seaborn&#39;</span><span class="p">)</span>
<span class="n">mpl</span><span class="o">.</span><span class="n">rcParams</span><span class="p">[</span><span class="s1">&#39;font.family&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s1">&#39;serif&#39;</span>
<span class="c1"># Where to save the figures and data files</span>
<span class="n">PROJECT_ROOT_DIR</span> <span class="o">=</span> <span class="s2">&quot;Results&quot;</span>
<span class="n">FIGURE_ID</span> <span class="o">=</span> <span class="s2">&quot;Results/FigureFiles&quot;</span>
<span class="n">DATA_ID</span> <span class="o">=</span> <span class="s2">&quot;DataFiles/&quot;</span>
<span class="k">if</span> <span class="ow">not</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">exists</span><span class="p">(</span><span class="n">PROJECT_ROOT_DIR</span><span class="p">):</span>
<span class="n">os</span><span class="o">.</span><span class="n">mkdir</span><span class="p">(</span><span class="n">PROJECT_ROOT_DIR</span><span class="p">)</span>
<span class="k">if</span> <span class="ow">not</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">exists</span><span class="p">(</span><span class="n">FIGURE_ID</span><span class="p">):</span>
<span class="n">os</span><span class="o">.</span><span class="n">makedirs</span><span class="p">(</span><span class="n">FIGURE_ID</span><span class="p">)</span>
<span class="k">if</span> <span class="ow">not</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">exists</span><span class="p">(</span><span class="n">DATA_ID</span><span class="p">):</span>
<span class="n">os</span><span class="o">.</span><span class="n">makedirs</span><span class="p">(</span><span class="n">DATA_ID</span><span class="p">)</span>
<span class="k">def</span> <span class="nf">image_path</span><span class="p">(</span><span class="n">fig_id</span><span class="p">):</span>
<span class="k">return</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">FIGURE_ID</span><span class="p">,</span> <span class="n">fig_id</span><span class="p">)</span>
<span class="k">def</span> <span class="nf">data_path</span><span class="p">(</span><span class="n">dat_id</span><span class="p">):</span>
<span class="k">return</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">DATA_ID</span><span class="p">,</span> <span class="n">dat_id</span><span class="p">)</span>
<span class="k">def</span> <span class="nf">save_fig</span><span class="p">(</span><span class="n">fig_id</span><span class="p">):</span>
<span class="n">plt</span><span class="o">.</span><span class="n">savefig</span><span class="p">(</span><span class="n">image_path</span><span class="p">(</span><span class="n">fig_id</span><span class="p">)</span> <span class="o">+</span> <span class="s2">&quot;.png&quot;</span><span class="p">,</span> <span class="nb">format</span><span class="o">=</span><span class="s1">&#39;png&#39;</span><span class="p">)</span>
<span class="n">infile</span> <span class="o">=</span> <span class="nb">open</span><span class="p">(</span><span class="n">data_path</span><span class="p">(</span><span class="s2">&quot;chddata.csv&quot;</span><span class="p">),</span><span class="s1">&#39;r&#39;</span><span class="p">)</span>
<span class="c1"># Read the chd data as csv file and organize the data into arrays with age group, age, and chd</span>
<span class="n">chd</span> <span class="o">=</span> <span class="n">pd</span><span class="o">.</span><span class="n">read_csv</span><span class="p">(</span><span class="n">infile</span><span class="p">,</span> <span class="n">names</span><span class="o">=</span><span class="p">(</span><span class="s1">&#39;ID&#39;</span><span class="p">,</span> <span class="s1">&#39;Age&#39;</span><span class="p">,</span> <span class="s1">&#39;Agegroup&#39;</span><span class="p">,</span> <span class="s1">&#39;CHD&#39;</span><span class="p">))</span>
<span class="n">chd</span><span class="o">.</span><span class="n">columns</span> <span class="o">=</span> <span class="p">[</span><span class="s1">&#39;ID&#39;</span><span class="p">,</span> <span class="s1">&#39;Age&#39;</span><span class="p">,</span> <span class="s1">&#39;Agegroup&#39;</span><span class="p">,</span> <span class="s1">&#39;CHD&#39;</span><span class="p">]</span>
<span class="n">output</span> <span class="o">=</span> <span class="n">chd</span><span class="p">[</span><span class="s1">&#39;CHD&#39;</span><span class="p">]</span>
<span class="n">age</span> <span class="o">=</span> <span class="n">chd</span><span class="p">[</span><span class="s1">&#39;Age&#39;</span><span class="p">]</span>
<span class="n">agegroup</span> <span class="o">=</span> <span class="n">chd</span><span class="p">[</span><span class="s1">&#39;Agegroup&#39;</span><span class="p">]</span>
<span class="n">numberID</span> <span class="o">=</span> <span class="n">chd</span><span class="p">[</span><span class="s1">&#39;ID&#39;</span><span class="p">]</span>
<span class="n">display</span><span class="p">(</span><span class="n">chd</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">scatter</span><span class="p">(</span><span class="n">age</span><span class="p">,</span> <span class="n">output</span><span class="p">,</span> <span class="n">marker</span><span class="o">=</span><span class="s1">&#39;o&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">axis</span><span class="p">([</span><span class="mi">18</span><span class="p">,</span><span class="mf">70.0</span><span class="p">,</span><span class="o">-</span><span class="mf">0.1</span><span class="p">,</span> <span class="mf">1.2</span><span class="p">])</span>
<span class="n">plt</span><span class="o">.</span><span class="n">xlabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;Age&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">ylabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;CHD&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">title</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;Age distribution and Coronary heart disease&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
</pre></div>
</div>
</div>
<div class="cell_output docutils container">
<div class="output traceback highlight-ipythontb notranslate"><div class="highlight"><pre><span></span><span class="gt">---------------------------------------------------------------------------</span>
<span class="ne">FileNotFoundError</span><span class="g g-Whitespace"> </span>Traceback (most recent call last)
<span class="nn">File ~/miniforge3/envs/myenv/lib/python3.9/site-packages/matplotlib/style/core.py:137,</span> in <span class="ni">use</span><span class="nt">(style)</span>
<span class="g g-Whitespace"> </span><span class="mi">136</span> <span class="k">try</span><span class="p">:</span>
<span class="ne">--&gt; </span><span class="mi">137</span> <span class="n">style</span> <span class="o">=</span> <span class="n">_rc_params_in_file</span><span class="p">(</span><span class="n">style</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">138</span> <span class="k">except</span> <span class="ne">OSError</span> <span class="k">as</span> <span class="n">err</span><span class="p">:</span>
<span class="nn">File ~/miniforge3/envs/myenv/lib/python3.9/site-packages/matplotlib/__init__.py:870,</span> in <span class="ni">_rc_params_in_file</span><span class="nt">(fname, transform, fail_on_error)</span>
<span class="g g-Whitespace"> </span><span class="mi">869</span> <span class="n">rc_temp</span> <span class="o">=</span> <span class="p">{}</span>
<span class="ne">--&gt; </span><span class="mi">870</span> <span class="k">with</span> <span class="n">_open_file_or_url</span><span class="p">(</span><span class="n">fname</span><span class="p">)</span> <span class="k">as</span> <span class="n">fd</span><span class="p">:</span>
<span class="g g-Whitespace"> </span><span class="mi">871</span> <span class="k">try</span><span class="p">:</span>
<span class="nn">File ~/miniforge3/envs/myenv/lib/python3.9/contextlib.py:119,</span> in <span class="ni">_GeneratorContextManager.__enter__</span><span class="nt">(self)</span>
<span class="g g-Whitespace"> </span><span class="mi">118</span> <span class="k">try</span><span class="p">:</span>
<span class="ne">--&gt; </span><span class="mi">119</span> <span class="k">return</span> <span class="nb">next</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">gen</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">120</span> <span class="k">except</span> <span class="ne">StopIteration</span><span class="p">:</span>
<span class="nn">File ~/miniforge3/envs/myenv/lib/python3.9/site-packages/matplotlib/__init__.py:847,</span> in <span class="ni">_open_file_or_url</span><span class="nt">(fname)</span>
<span class="g g-Whitespace"> </span><span class="mi">846</span> <span class="n">fname</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">expanduser</span><span class="p">(</span><span class="n">fname</span><span class="p">)</span>
<span class="ne">--&gt; </span><span class="mi">847</span> <span class="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="n">fname</span><span class="p">,</span> <span class="n">encoding</span><span class="o">=</span><span class="s1">&#39;utf-8&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">f</span><span class="p">:</span>
<span class="g g-Whitespace"> </span><span class="mi">848</span> <span class="k">yield</span> <span class="n">f</span>
<span class="ne">FileNotFoundError</span>: [Errno 2] No such file or directory: &#39;seaborn&#39;
<span class="n">The</span> <span class="n">above</span> <span class="n">exception</span> <span class="n">was</span> <span class="n">the</span> <span class="n">direct</span> <span class="n">cause</span> <span class="n">of</span> <span class="n">the</span> <span class="n">following</span> <span class="n">exception</span><span class="p">:</span>
<span class="ne">OSError</span><span class="g g-Whitespace"> </span>Traceback (most recent call last)
<span class="n">Cell</span> <span class="n">In</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span> <span class="n">line</span> <span class="mi">14</span>
<span class="g g-Whitespace"> </span><span class="mi">12</span> <span class="kn">from</span> <span class="nn">IPython.display</span> <span class="kn">import</span> <span class="n">display</span>
<span class="g g-Whitespace"> </span><span class="mi">13</span> <span class="kn">from</span> <span class="nn">pylab</span> <span class="kn">import</span> <span class="n">plt</span><span class="p">,</span> <span class="n">mpl</span>
<span class="ne">---&gt; </span><span class="mi">14</span> <span class="n">plt</span><span class="o">.</span><span class="n">style</span><span class="o">.</span><span class="n">use</span><span class="p">(</span><span class="s1">&#39;seaborn&#39;</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">15</span> <span class="n">mpl</span><span class="o">.</span><span class="n">rcParams</span><span class="p">[</span><span class="s1">&#39;font.family&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s1">&#39;serif&#39;</span>
<span class="g g-Whitespace"> </span><span class="mi">17</span> <span class="c1"># Where to save the figures and data files</span>
<span class="nn">File ~/miniforge3/envs/myenv/lib/python3.9/site-packages/matplotlib/style/core.py:139,</span> in <span class="ni">use</span><span class="nt">(style)</span>
<span class="g g-Whitespace"> </span><span class="mi">137</span> <span class="n">style</span> <span class="o">=</span> <span class="n">_rc_params_in_file</span><span class="p">(</span><span class="n">style</span><span class="p">)</span>
<span class="g g-Whitespace"> </span><span class="mi">138</span> <span class="k">except</span> <span class="ne">OSError</span> <span class="k">as</span> <span class="n">err</span><span class="p">:</span>
<span class="ne">--&gt; </span><span class="mi">139</span> <span class="k">raise</span> <span class="ne">OSError</span><span class="p">(</span>
<span class="g g-Whitespace"> </span><span class="mi">140</span> <span class="sa">f</span><span class="s2">&quot;</span><span class="si">{</span><span class="n">style</span><span class="si">!r}</span><span class="s2"> is not a valid package style, path of style &quot;</span>
<span class="g g-Whitespace"> </span><span class="mi">141</span> <span class="sa">f</span><span class="s2">&quot;file, URL of style file, or library style name (library &quot;</span>
<span class="g g-Whitespace"> </span><span class="mi">142</span> <span class="sa">f</span><span class="s2">&quot;styles are listed in `style.available`)&quot;</span><span class="p">)</span> <span class="kn">from</span> <span class="nn">err</span>
<span class="g g-Whitespace"> </span><span class="mi">143</span> <span class="n">filtered</span> <span class="o">=</span> <span class="p">{}</span>
<span class="nn"> 144 for k</span> in <span class="ni">style: # don&#39;t trigger RcParams.__getitem__</span><span class="nt">(&#39;backend&#39;)</span>
<span class="ne">OSError</span>: &#39;seaborn&#39; is not a valid package style, path of style file, URL of style file, or library style name (library styles are listed in `style.available`)
</pre></div>
</div>
</div>
</div>
<p>What we could attempt however is to plot the mean value for each group.</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">agegroupmean</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mf">0.1</span><span class="p">,</span> <span class="mf">0.133</span><span class="p">,</span> <span class="mf">0.250</span><span class="p">,</span> <span class="mf">0.333</span><span class="p">,</span> <span class="mf">0.462</span><span class="p">,</span> <span class="mf">0.625</span><span class="p">,</span> <span class="mf">0.765</span><span class="p">,</span> <span class="mf">0.800</span><span class="p">])</span>
<span class="n">group</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">([</span><span class="mi">1</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="mi">3</span><span class="p">,</span> <span class="mi">4</span><span class="p">,</span> <span class="mi">5</span><span class="p">,</span> <span class="mi">6</span><span class="p">,</span> <span class="mi">7</span><span class="p">,</span> <span class="mi">8</span><span class="p">])</span>
<span class="n">plt</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">group</span><span class="p">,</span> <span class="n">agegroupmean</span><span class="p">,</span> <span class="s2">&quot;r-&quot;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">axis</span><span class="p">([</span><span class="mi">0</span><span class="p">,</span><span class="mi">9</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">])</span>
<span class="n">plt</span><span class="o">.</span><span class="n">xlabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;Age group&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">ylabel</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;CHD mean values&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">title</span><span class="p">(</span><span class="sa">r</span><span class="s1">&#39;Mean values for each age group&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
</pre></div>
</div>
</div>
</div>
<p>We are now trying to find a function <span class="math notranslate nohighlight">\(f(y\vert x)\)</span>, that is a function which gives us an expected value for the output <span class="math notranslate nohighlight">\(y\)</span> with a given input <span class="math notranslate nohighlight">\(x\)</span>.
In standard linear regression with a linear dependence on <span class="math notranslate nohighlight">\(x\)</span>, we would write this in terms of our model</p>
<div class="math notranslate nohighlight">
\[
f(y_i\vert x_i)=\beta_0+\beta_1 x_i.
\]</div>
<p>This expression implies however that <span class="math notranslate nohighlight">\(f(y_i\vert x_i)\)</span> could take any
value from minus infinity to plus infinity. If we however let
<span class="math notranslate nohighlight">\(f(y\vert y)\)</span> be represented by the mean value, the above example
shows us that we can constrain the function to take values between
zero and one, that is we have <span class="math notranslate nohighlight">\(0 \le f(y_i\vert x_i) \le 1\)</span>. Looking
at our last curve we see also that it has an S-shaped form. This leads
us to a very popular model for the function <span class="math notranslate nohighlight">\(f\)</span>, namely the so-called
Sigmoid function or logistic model. We will consider this function as
representing the probability for finding a value of <span class="math notranslate nohighlight">\(y_i\)</span> with a given
<span class="math notranslate nohighlight">\(x_i\)</span>.</p>
</div>
<div class="section" id="the-logistic-function">
<h2><span class="section-number">6.3. </span>The logistic function<a class="headerlink" href="#the-logistic-function" title="Permalink to this headline"></a></h2>
<p>Another widely studied model, is the so-called
perceptron model, which 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
<span class="math notranslate nohighlight">\(y_i=0\)</span> or <span class="math notranslate nohighlight">\(y_i=1\)</span>). In many cases, and the coronary heart disease data forms one of many such examples, it is favorable to have a “soft”
classifier that outputs the probability of a given category rather
than a single value. For example, given <span class="math notranslate nohighlight">\(x_i\)</span>, the classifier
outputs the probability of being in a category <span class="math notranslate nohighlight">\(k\)</span>. Logistic regression
is the most common example of a so-called soft classifier. In logistic
regression, the probability that a data point <span class="math notranslate nohighlight">\(x_i\)</span>
belongs to a category <span class="math notranslate nohighlight">\(y_i=\{0,1\}\)</span> is given by the so-called logit function (or Sigmoid) which is meant to represent the likelihood for a given event,</p>
<div class="math notranslate nohighlight">
\[
p(t) = \frac{1}{1+\mathrm \exp{-t}}=\frac{\exp{t}}{1+\mathrm \exp{t}}.
\]</div>
<p>Note that <span class="math notranslate nohighlight">\(1-p(t)= p(-t)\)</span>.</p>
</div>
<div class="section" id="examples-of-likelihood-functions-used-in-logistic-regression-and-neural-networks">
<h2><span class="section-number">6.4. </span>Examples of likelihood functions used in logistic regression and neural networks<a class="headerlink" href="#examples-of-likelihood-functions-used-in-logistic-regression-and-neural-networks" title="Permalink to this headline"></a></h2>
<p>The following code plots the logistic function, the step function and other functions we will encounter from here and on.</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="sd">&quot;&quot;&quot;The sigmoid function (or the logistic curve) is a</span>
<span class="sd">function that takes any real number, z, and outputs a number (0,1).</span>
<span class="sd">It is useful in neural networks for assigning weights on a relative scale.</span>
<span class="sd">The value z is the weighted sum of parameters involved in the learning algorithm.&quot;&quot;&quot;</span>
<span class="kn">import</span> <span class="nn">numpy</span>
<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">import</span> <span class="nn">math</span> <span class="k">as</span> <span class="nn">mt</span>
<span class="n">z</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">arange</span><span class="p">(</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span> <span class="mi">5</span><span class="p">,</span> <span class="mf">.1</span><span class="p">)</span>
<span class="n">sigma_fn</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">vectorize</span><span class="p">(</span><span class="k">lambda</span> <span class="n">z</span><span class="p">:</span> <span class="mi">1</span><span class="o">/</span><span class="p">(</span><span class="mi">1</span><span class="o">+</span><span class="n">numpy</span><span class="o">.</span><span class="n">exp</span><span class="p">(</span><span class="o">-</span><span class="n">z</span><span class="p">)))</span>
<span class="n">sigma</span> <span class="o">=</span> <span class="n">sigma_fn</span><span class="p">(</span><span class="n">z</span><span class="p">)</span>
<span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">z</span><span class="p">,</span> <span class="n">sigma</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_ylim</span><span class="p">([</span><span class="o">-</span><span class="mf">0.1</span><span class="p">,</span> <span class="mf">1.1</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlim</span><span class="p">([</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">grid</span><span class="p">(</span><span class="kc">True</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">&#39;z&#39;</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="s1">&#39;sigmoid function&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
<span class="sd">&quot;&quot;&quot;Step Function&quot;&quot;&quot;</span>
<span class="n">z</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">arange</span><span class="p">(</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span> <span class="mi">5</span><span class="p">,</span> <span class="mf">.02</span><span class="p">)</span>
<span class="n">step_fn</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">vectorize</span><span class="p">(</span><span class="k">lambda</span> <span class="n">z</span><span class="p">:</span> <span class="mf">1.0</span> <span class="k">if</span> <span class="n">z</span> <span class="o">&gt;=</span> <span class="mf">0.0</span> <span class="k">else</span> <span class="mf">0.0</span><span class="p">)</span>
<span class="n">step</span> <span class="o">=</span> <span class="n">step_fn</span><span class="p">(</span><span class="n">z</span><span class="p">)</span>
<span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">z</span><span class="p">,</span> <span class="n">step</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_ylim</span><span class="p">([</span><span class="o">-</span><span class="mf">0.5</span><span class="p">,</span> <span class="mf">1.5</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlim</span><span class="p">([</span><span class="o">-</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">grid</span><span class="p">(</span><span class="kc">True</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">&#39;z&#39;</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="s1">&#39;step function&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
<span class="sd">&quot;&quot;&quot;tanh Function&quot;&quot;&quot;</span>
<span class="n">z</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">arange</span><span class="p">(</span><span class="o">-</span><span class="mi">2</span><span class="o">*</span><span class="n">mt</span><span class="o">.</span><span class="n">pi</span><span class="p">,</span> <span class="mi">2</span><span class="o">*</span><span class="n">mt</span><span class="o">.</span><span class="n">pi</span><span class="p">,</span> <span class="mf">0.1</span><span class="p">)</span>
<span class="n">t</span> <span class="o">=</span> <span class="n">numpy</span><span class="o">.</span><span class="n">tanh</span><span class="p">(</span><span class="n">z</span><span class="p">)</span>
<span class="n">fig</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">()</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">fig</span><span class="o">.</span><span class="n">add_subplot</span><span class="p">(</span><span class="mi">111</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">z</span><span class="p">,</span> <span class="n">t</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_ylim</span><span class="p">([</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span> <span class="mf">1.0</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlim</span><span class="p">([</span><span class="o">-</span><span class="mi">2</span><span class="o">*</span><span class="n">mt</span><span class="o">.</span><span class="n">pi</span><span class="p">,</span><span class="mi">2</span><span class="o">*</span><span class="n">mt</span><span class="o">.</span><span class="n">pi</span><span class="p">])</span>
<span class="n">ax</span><span class="o">.</span><span class="n">grid</span><span class="p">(</span><span class="kc">True</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s1">&#39;z&#39;</span><span class="p">)</span>
<span class="n">ax</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="s1">&#39;tanh function&#39;</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
</pre></div>
</div>
</div>
</div>
<p>We assume now that we have two classes with <span class="math notranslate nohighlight">\(y_i\)</span> either <span class="math notranslate nohighlight">\(0\)</span> or <span class="math notranslate nohighlight">\(1\)</span>. Furthermore we assume also that we have only two parameters <span class="math notranslate nohighlight">\(\beta\)</span> in our fitting of the Sigmoid function, that is we define probabilities</p>
<div class="math notranslate nohighlight">
\[\begin{split}
\begin{align*}
p(y_i=1|x_i,\boldsymbol{\beta}) &amp;= \frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}},\nonumber\\
p(y_i=0|x_i,\boldsymbol{\beta}) &amp;= 1 - p(y_i=1|x_i,\boldsymbol{\beta}),
\end{align*}
\end{split}\]</div>
<p>where <span class="math notranslate nohighlight">\(\boldsymbol{\beta}\)</span> are the weights we wish to extract from data, in our case <span class="math notranslate nohighlight">\(\beta_0\)</span> and <span class="math notranslate nohighlight">\(\beta_1\)</span>.</p>
<p>Note that we used</p>
<div class="math notranslate nohighlight">
\[
p(y_i=0\vert x_i, \boldsymbol{\beta}) = 1-p(y_i=1\vert x_i, \boldsymbol{\beta}).
\]</div>
<p>In order to define the total likelihood for all possible outcomes from a<br />
dataset <span class="math notranslate nohighlight">\(\mathcal{D}=\{(y_i,x_i)\}\)</span>, with the binary labels
<span class="math notranslate nohighlight">\(y_i\in\{0,1\}\)</span> and where the data points are drawn independently, we use the so-called <a class="reference external" href="https://en.wikipedia.org/wiki/Maximum_likelihood_estimation">Maximum Likelihood Estimation</a> (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 <span class="math notranslate nohighlight">\(y_i\)</span>, that is</p>
<div class="math notranslate nohighlight">
\[\begin{split}
\begin{align*}
P(\mathcal{D}|\boldsymbol{\beta})&amp; = \prod_{i=1}^n \left[p(y_i=1|x_i,\boldsymbol{\beta})\right]^{y_i}\left[1-p(y_i=1|x_i,\boldsymbol{\beta}))\right]^{1-y_i}\nonumber \\
\end{align*}
\end{split}\]</div>
<p>from which we obtain the log-likelihood and our <strong>cost/loss</strong> function</p>
<div class="math notranslate nohighlight">
\[
\mathcal{C}(\boldsymbol{\beta}) = \sum_{i=1}^n \left( y_i\log{p(y_i=1|x_i,\boldsymbol{\beta})} + (1-y_i)\log\left[1-p(y_i=1|x_i,\boldsymbol{\beta}))\right]\right).
\]</div>
<p>Reordering the logarithms, we can rewrite the <strong>cost/loss</strong> function as</p>
<div class="math notranslate nohighlight">
\[
\mathcal{C}(\boldsymbol{\beta}) = \sum_{i=1}^n \left(y_i(\beta_0+\beta_1x_i) -\log{(1+\exp{(\beta_0+\beta_1x_i)})}\right).
\]</div>
<p>The maximum likelihood estimator is defined as the set of parameters that maximize the log-likelihood where we maximize with respect to <span class="math notranslate nohighlight">\(\beta\)</span>.
Since the cost (error) function is just the negative log-likelihood, for logistic regression we have that</p>
<div class="math notranslate nohighlight">
\[
\mathcal{C}(\boldsymbol{\beta})=-\sum_{i=1}^n \left(y_i(\beta_0+\beta_1x_i) -\log{(1+\exp{(\beta_0+\beta_1x_i)})}\right).
\]</div>
<p>This equation is known in statistics as the <strong>cross entropy</strong>. Finally, we note that just as in linear regression,
in practice we often supplement the cross-entropy with additional regularization terms, usually <span class="math notranslate nohighlight">\(L_1\)</span> and <span class="math notranslate nohighlight">\(L_2\)</span> regularization as we did for Ridge and Lasso regression.</p>
<p>The cross entropy is a convex function of the weights <span class="math notranslate nohighlight">\(\boldsymbol{\beta}\)</span> and,
therefore, any local minimizer is a global minimizer.</p>
<p>Minimizing this
cost function with respect to the two parameters <span class="math notranslate nohighlight">\(\beta_0\)</span> and <span class="math notranslate nohighlight">\(\beta_1\)</span> we obtain</p>
<div class="math notranslate nohighlight">
\[
\frac{\partial \mathcal{C}(\boldsymbol{\beta})}{\partial \beta_0} = -\sum_{i=1}^n \left(y_i -\frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}}\right),
\]</div>
<p>and</p>
<div class="math notranslate nohighlight">
\[
\frac{\partial \mathcal{C}(\boldsymbol{\beta})}{\partial \beta_1} = -\sum_{i=1}^n \left(y_ix_i -x_i\frac{\exp{(\beta_0+\beta_1x_i)}}{1+\exp{(\beta_0+\beta_1x_i)}}\right).
\]</div>
<p>Let us now define a vector <span class="math notranslate nohighlight">\(\boldsymbol{y}\)</span> with <span class="math notranslate nohighlight">\(n\)</span> elements <span class="math notranslate nohighlight">\(y_i\)</span>, an
<span class="math notranslate nohighlight">\(n\times p\)</span> matrix <span class="math notranslate nohighlight">\(\boldsymbol{X}\)</span> which contains the <span class="math notranslate nohighlight">\(x_i\)</span> values and a
vector <span class="math notranslate nohighlight">\(\boldsymbol{p}\)</span> of fitted probabilities <span class="math notranslate nohighlight">\(p(y_i\vert x_i,\boldsymbol{\beta})\)</span>. We can rewrite in a more compact form the first
derivative of cost function as</p>
<div class="math notranslate nohighlight">
\[
\frac{\partial \mathcal{C}(\boldsymbol{\beta})}{\partial \boldsymbol{\beta}} = -\boldsymbol{X}^T\left(\boldsymbol{y}-\boldsymbol{p}\right).
\]</div>
<p>If we in addition define a diagonal matrix <span class="math notranslate nohighlight">\(\boldsymbol{W}\)</span> with elements
<span class="math notranslate nohighlight">\(p(y_i\vert x_i,\boldsymbol{\beta})(1-p(y_i\vert x_i,\boldsymbol{\beta})\)</span>, we can obtain a compact expression of the second derivative as</p>
<div class="math notranslate nohighlight">
\[
\frac{\partial^2 \mathcal{C}(\boldsymbol{\beta})}{\partial \boldsymbol{\beta}\partial \boldsymbol{\beta}^T} = \boldsymbol{X}^T\boldsymbol{W}\boldsymbol{X}.
\]</div>
<p>Within a binary classification problem, we can easily expand our model to include multiple predictors. Our ratio between likelihoods is then with <span class="math notranslate nohighlight">\(p\)</span> predictors</p>
<div class="math notranslate nohighlight">
\[
\log{ \frac{p(\boldsymbol{\beta}\boldsymbol{x})}{1-p(\boldsymbol{\beta}\boldsymbol{x})}} = \beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p.
\]</div>
<p>Here we defined <span class="math notranslate nohighlight">\(\boldsymbol{x}=[1,x_1,x_2,\dots,x_p]\)</span> and <span class="math notranslate nohighlight">\(\boldsymbol{\beta}=[\beta_0, \beta_1, \dots, \beta_p]\)</span> leading to</p>
<div class="math notranslate nohighlight">
\[
p(\boldsymbol{\beta}\boldsymbol{x})=\frac{ \exp{(\beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p)}}{1+\exp{(\beta_0+\beta_1x_1+\beta_2x_2+\dots+\beta_px_p)}}.
\]</div>
<p>Till now we have mainly focused on two classes, the so-called binary
system. Suppose we wish to extend to <span class="math notranslate nohighlight">\(K\)</span> classes. Let us for the sake
of simplicity assume we have only two predictors. We have then following model</p>
<div class="math notranslate nohighlight">
\[
\log{\frac{p(C=1\vert x)}{p(K\vert x)}} = \beta_{10}+\beta_{11}x_1,
\]</div>
<p>and</p>
<div class="math notranslate nohighlight">
\[
\log{\frac{p(C=2\vert x)}{p(K\vert x)}} = \beta_{20}+\beta_{21}x_1,
\]</div>
<p>and so on till the class <span class="math notranslate nohighlight">\(C=K-1\)</span> class</p>
<div class="math notranslate nohighlight">
\[
\log{\frac{p(C=K-1\vert x)}{p(K\vert x)}} = \beta_{(K-1)0}+\beta_{(K-1)1}x_1,
\]</div>
<p>and the model is specified in term of <span class="math notranslate nohighlight">\(K-1\)</span> so-called log-odds or
<strong>logit</strong> transformations.</p>
<p>In our discussion of neural networks we will encounter the above again
in terms of a slightly modified function, the so-called <strong>Softmax</strong> function.</p>
<p>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 <span class="math notranslate nohighlight">\(K\)</span> distinct linear functions,
and the predicted probability for the <span class="math notranslate nohighlight">\(k\)</span>-th class given a sample
vector <span class="math notranslate nohighlight">\(\boldsymbol{x}\)</span> and a weighting vector <span class="math notranslate nohighlight">\(\boldsymbol{\beta}\)</span> is (with two
predictors):</p>
<div class="math notranslate nohighlight">
\[
p(C=k\vert \mathbf {x} )=\frac{\exp{(\beta_{k0}+\beta_{k1}x_1)}}{1+\sum_{l=1}^{K-1}\exp{(\beta_{l0}+\beta_{l1}x_1)}}.
\]</div>
<p>It is easy to extend to more predictors. The final class is</p>
<div class="math notranslate nohighlight">
\[
p(C=K\vert \mathbf {x} )=\frac{1}{1+\sum_{l=1}^{K-1}\exp{(\beta_{l0}+\beta_{l1}x_1)}},
\]</div>
<p>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.</p>
<p>To find the optimal parameters we would typically use a gradient
descent method. Newtons method and gradient descent methods are
discussed in the material on <a class="reference external" href="https://compphysics.github.io/MachineLearning/doc/pub/Splines/html/Splines-bs.html">optimization
methods</a>.</p>
</div>
<div class="section" id="wisconsin-cancer-data">
<h2><span class="section-number">6.5. </span>Wisconsin Cancer Data<a class="headerlink" href="#wisconsin-cancer-data" title="Permalink to this headline"></a></h2>
<p>We show here how we can use a simple regression case on the breast
cancer data using Logistic regression as our algorithm for
classification.</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
<span class="kn">from</span> <span class="nn">sklearn.model_selection</span> <span class="kn">import</span> <span class="n">train_test_split</span>
<span class="kn">from</span> <span class="nn">sklearn.datasets</span> <span class="kn">import</span> <span class="n">load_breast_cancer</span>
<span class="kn">from</span> <span class="nn">sklearn.linear_model</span> <span class="kn">import</span> <span class="n">LogisticRegression</span>
<span class="c1"># Load the data</span>
<span class="n">cancer</span> <span class="o">=</span> <span class="n">load_breast_cancer</span><span class="p">()</span>
<span class="n">X_train</span><span class="p">,</span> <span class="n">X_test</span><span class="p">,</span> <span class="n">y_train</span><span class="p">,</span> <span class="n">y_test</span> <span class="o">=</span> <span class="n">train_test_split</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">,</span><span class="n">cancer</span><span class="o">.</span><span class="n">target</span><span class="p">,</span><span class="n">random_state</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="n">X_train</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="n">X_test</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
<span class="c1"># Logistic Regression</span>
<span class="n">logreg</span> <span class="o">=</span> <span class="n">LogisticRegression</span><span class="p">(</span><span class="n">solver</span><span class="o">=</span><span class="s1">&#39;lbfgs&#39;</span><span class="p">)</span>
<span class="n">logreg</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train</span><span class="p">,</span> <span class="n">y_train</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="s2">&quot;Test set accuracy with Logistic Regression: </span><span class="si">{:.2f}</span><span class="s2">&quot;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">logreg</span><span class="o">.</span><span class="n">score</span><span class="p">(</span><span class="n">X_test</span><span class="p">,</span><span class="n">y_test</span><span class="p">)))</span>
<span class="c1">#now scale the data</span>
<span class="kn">from</span> <span class="nn">sklearn.preprocessing</span> <span class="kn">import</span> <span class="n">StandardScaler</span>
<span class="n">scaler</span> <span class="o">=</span> <span class="n">StandardScaler</span><span class="p">()</span>
<span class="n">scaler</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train</span><span class="p">)</span>
<span class="n">X_train_scaled</span> <span class="o">=</span> <span class="n">scaler</span><span class="o">.</span><span class="n">transform</span><span class="p">(</span><span class="n">X_train</span><span class="p">)</span>
<span class="n">X_test_scaled</span> <span class="o">=</span> <span class="n">scaler</span><span class="o">.</span><span class="n">transform</span><span class="p">(</span><span class="n">X_test</span><span class="p">)</span>
<span class="c1"># Logistic Regression</span>
<span class="n">logreg</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train_scaled</span><span class="p">,</span> <span class="n">y_train</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="s2">&quot;Test set accuracy Logistic Regression with scaled data: </span><span class="si">{:.2f}</span><span class="s2">&quot;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">logreg</span><span class="o">.</span><span class="n">score</span><span class="p">(</span><span class="n">X_test_scaled</span><span class="p">,</span><span class="n">y_test</span><span class="p">)))</span>
</pre></div>
</div>
</div>
</div>
<p>In addition to the above scores, we could also study the covariance (and the correlation matrix).
We use <strong>Pandas</strong> to compute the correlation matrix.</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
<span class="kn">from</span> <span class="nn">sklearn.model_selection</span> <span class="kn">import</span> <span class="n">train_test_split</span>
<span class="kn">from</span> <span class="nn">sklearn.datasets</span> <span class="kn">import</span> <span class="n">load_breast_cancer</span>
<span class="kn">from</span> <span class="nn">sklearn.linear_model</span> <span class="kn">import</span> <span class="n">LogisticRegression</span>
<span class="n">cancer</span> <span class="o">=</span> <span class="n">load_breast_cancer</span><span class="p">()</span>
<span class="kn">import</span> <span class="nn">pandas</span> <span class="k">as</span> <span class="nn">pd</span>
<span class="c1"># Making a data frame</span>
<span class="n">cancerpd</span> <span class="o">=</span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">,</span> <span class="n">columns</span><span class="o">=</span><span class="n">cancer</span><span class="o">.</span><span class="n">feature_names</span><span class="p">)</span>
<span class="n">fig</span><span class="p">,</span> <span class="n">axes</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplots</span><span class="p">(</span><span class="mi">15</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">20</span><span class="p">))</span>
<span class="n">malignant</span> <span class="o">=</span> <span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">[</span><span class="n">cancer</span><span class="o">.</span><span class="n">target</span> <span class="o">==</span> <span class="mi">0</span><span class="p">]</span>
<span class="n">benign</span> <span class="o">=</span> <span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">[</span><span class="n">cancer</span><span class="o">.</span><span class="n">target</span> <span class="o">==</span> <span class="mi">1</span><span class="p">]</span>
<span class="n">ax</span> <span class="o">=</span> <span class="n">axes</span><span class="o">.</span><span class="n">ravel</span><span class="p">()</span>
<span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">30</span><span class="p">):</span>
<span class="n">_</span><span class="p">,</span> <span class="n">bins</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">histogram</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">[:,</span><span class="n">i</span><span class="p">],</span> <span class="n">bins</span> <span class="o">=</span><span class="mi">50</span><span class="p">)</span>
<span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">hist</span><span class="p">(</span><span class="n">malignant</span><span class="p">[:,</span><span class="n">i</span><span class="p">],</span> <span class="n">bins</span> <span class="o">=</span> <span class="n">bins</span><span class="p">,</span> <span class="n">alpha</span> <span class="o">=</span> <span class="mf">0.5</span><span class="p">)</span>
<span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">hist</span><span class="p">(</span><span class="n">benign</span><span class="p">[:,</span><span class="n">i</span><span class="p">],</span> <span class="n">bins</span> <span class="o">=</span> <span class="n">bins</span><span class="p">,</span> <span class="n">alpha</span> <span class="o">=</span> <span class="mf">0.5</span><span class="p">)</span>
<span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">feature_names</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
<span class="n">ax</span><span class="p">[</span><span class="n">i</span><span class="p">]</span><span class="o">.</span><span class="n">set_yticks</span><span class="p">(())</span>
<span class="n">ax</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s2">&quot;Feature magnitude&quot;</span><span class="p">)</span>
<span class="n">ax</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s2">&quot;Frequency&quot;</span><span class="p">)</span>
<span class="n">ax</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">legend</span><span class="p">([</span><span class="s2">&quot;Malignant&quot;</span><span class="p">,</span> <span class="s2">&quot;Benign&quot;</span><span class="p">],</span> <span class="n">loc</span> <span class="o">=</span><span class="s2">&quot;best&quot;</span><span class="p">)</span>
<span class="n">fig</span><span class="o">.</span><span class="n">tight_layout</span><span class="p">()</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
<span class="kn">import</span> <span class="nn">seaborn</span> <span class="k">as</span> <span class="nn">sns</span>
<span class="n">correlation_matrix</span> <span class="o">=</span> <span class="n">cancerpd</span><span class="o">.</span><span class="n">corr</span><span class="p">()</span><span class="o">.</span><span class="n">round</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
<span class="c1"># use the heatmap function from seaborn to plot the correlation matrix</span>
<span class="c1"># annot = True to print the values inside the square</span>
<span class="n">plt</span><span class="o">.</span><span class="n">figure</span><span class="p">(</span><span class="n">figsize</span><span class="o">=</span><span class="p">(</span><span class="mi">15</span><span class="p">,</span><span class="mi">8</span><span class="p">))</span>
<span class="n">sns</span><span class="o">.</span><span class="n">heatmap</span><span class="p">(</span><span class="n">data</span><span class="o">=</span><span class="n">correlation_matrix</span><span class="p">,</span> <span class="n">annot</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
</pre></div>
</div>
</div>
</div>
<p>In the above example we note two things. In the first plot we display
the overlap of benign and malignant tumors as functions of the various
features in the Wisconsing breast cancer data set. We see that for
some of the features we can distinguish clearly the benign and
malignant cases while for other features we cannot. This can point to
us which features may be of greater interest when we wish to classify
a benign or not benign tumour.</p>
<p>In the second figure we have computed the so-called correlation
matrix, which in our case with thirty features becomes a <span class="math notranslate nohighlight">\(30\times 30\)</span>
matrix.</p>
<p>We constructed this matrix using <strong>pandas</strong> via the statements</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">cancerpd</span> <span class="o">=</span> <span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">,</span> <span class="n">columns</span><span class="o">=</span><span class="n">cancer</span><span class="o">.</span><span class="n">feature_names</span><span class="p">)</span>
</pre></div>
</div>
</div>
</div>
<p>and then</p>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="n">correlation_matrix</span> <span class="o">=</span> <span class="n">cancerpd</span><span class="o">.</span><span class="n">corr</span><span class="p">()</span><span class="o">.</span><span class="n">round</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
</pre></div>
</div>
</div>
</div>
<p>Diagonalizing this matrix we can in turn say something about which
features are of relevance and which are not. This leads us to
the classical Principal Component Analysis (PCA) theorem with
applications. This will be discussed later this semester (<a class="reference external" href="https://compphysics.github.io/MachineLearning/doc/pub/week43/html/week43-bs.html">week 43</a>).</p>
<p>Here we present a further way to present our results in terms of a so-called <strong>confusion matrix</strong>, the cumulative gain and the <strong>ROC</strong> curve.
This way of displaying our data are based upon different ways to classify our possible outcomes. Before we proceed we need some definitions.</p>
<ol class="simple">
<li><p><strong>TP</strong>: true positive or in other words, something equivalent with a proper classification</p></li>
<li><p><strong>TN</strong>: true negative, which is equivalent with a correct rejection</p></li>
<li><p><strong>FP</strong>: false positive, or in simpler words something that is equivalent with a false alarm</p></li>
<li><p><strong>FN</strong>: false negative, which is mean to be equivalent with a miss.</p></li>
</ol>
<p>The total data set is then the sum of the true positive and true negative targets or outputs, labeled by <span class="math notranslate nohighlight">\(n\)</span>.
Based on this we can then define the accuracy score as the sum of correctly predicted <strong>TP</strong> and <strong>TN</strong> cases divided by the sum of true positive and treue negative events in our data set, or as</p>
<div class="math notranslate nohighlight">
\[
\mathrm{Accuracy} = \frac{\sum_{i=0}^{n-1}I(y_i=\tilde{y}_i)}{n}.
\]</div>
<div class="cell docutils container">
<div class="cell_input docutils container">
<div class="highlight-ipython3 notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
<span class="kn">import</span> <span class="nn">numpy</span> <span class="k">as</span> <span class="nn">np</span>
<span class="kn">from</span> <span class="nn">sklearn.model_selection</span> <span class="kn">import</span> <span class="n">train_test_split</span>
<span class="kn">from</span> <span class="nn">sklearn.datasets</span> <span class="kn">import</span> <span class="n">load_breast_cancer</span>
<span class="kn">from</span> <span class="nn">sklearn.linear_model</span> <span class="kn">import</span> <span class="n">LogisticRegression</span>
<span class="c1"># Load the data</span>
<span class="n">cancer</span> <span class="o">=</span> <span class="n">load_breast_cancer</span><span class="p">()</span>
<span class="n">X_train</span><span class="p">,</span> <span class="n">X_test</span><span class="p">,</span> <span class="n">y_train</span><span class="p">,</span> <span class="n">y_test</span> <span class="o">=</span> <span class="n">train_test_split</span><span class="p">(</span><span class="n">cancer</span><span class="o">.</span><span class="n">data</span><span class="p">,</span><span class="n">cancer</span><span class="o">.</span><span class="n">target</span><span class="p">,</span><span class="n">random_state</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="n">X_train</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="n">X_test</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
<span class="c1"># Logistic Regression</span>
<span class="n">logreg</span> <span class="o">=</span> <span class="n">LogisticRegression</span><span class="p">(</span><span class="n">solver</span><span class="o">=</span><span class="s1">&#39;lbfgs&#39;</span><span class="p">)</span>
<span class="n">logreg</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train</span><span class="p">,</span> <span class="n">y_train</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="s2">&quot;Test set accuracy with Logistic Regression: </span><span class="si">{:.2f}</span><span class="s2">&quot;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">logreg</span><span class="o">.</span><span class="n">score</span><span class="p">(</span><span class="n">X_test</span><span class="p">,</span><span class="n">y_test</span><span class="p">)))</span>
<span class="c1">#now scale the data</span>
<span class="kn">from</span> <span class="nn">sklearn.preprocessing</span> <span class="kn">import</span> <span class="n">StandardScaler</span>
<span class="n">scaler</span> <span class="o">=</span> <span class="n">StandardScaler</span><span class="p">()</span>
<span class="n">scaler</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train</span><span class="p">)</span>
<span class="n">X_train_scaled</span> <span class="o">=</span> <span class="n">scaler</span><span class="o">.</span><span class="n">transform</span><span class="p">(</span><span class="n">X_train</span><span class="p">)</span>
<span class="n">X_test_scaled</span> <span class="o">=</span> <span class="n">scaler</span><span class="o">.</span><span class="n">transform</span><span class="p">(</span><span class="n">X_test</span><span class="p">)</span>
<span class="c1"># Logistic Regression</span>
<span class="n">logreg</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="n">X_train_scaled</span><span class="p">,</span> <span class="n">y_train</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="s2">&quot;Test set accuracy Logistic Regression with scaled data: </span><span class="si">{:.2f}</span><span class="s2">&quot;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">logreg</span><span class="o">.</span><span class="n">score</span><span class="p">(</span><span class="n">X_test_scaled</span><span class="p">,</span><span class="n">y_test</span><span class="p">)))</span>
<span class="kn">from</span> <span class="nn">sklearn.preprocessing</span> <span class="kn">import</span> <span class="n">LabelEncoder</span>
<span class="kn">from</span> <span class="nn">sklearn.model_selection</span> <span class="kn">import</span> <span class="n">cross_validate</span>
<span class="c1">#Cross validation</span>
<span class="n">accuracy</span> <span class="o">=</span> <span class="n">cross_validate</span><span class="p">(</span><span class="n">logreg</span><span class="p">,</span><span class="n">X_test_scaled</span><span class="p">,</span><span class="n">y_test</span><span class="p">,</span><span class="n">cv</span><span class="o">=</span><span class="mi">10</span><span class="p">)[</span><span class="s1">&#39;test_score&#39;</span><span class="p">]</span>
<span class="nb">print</span><span class="p">(</span><span class="n">accuracy</span><span class="p">)</span>
<span class="nb">print</span><span class="p">(</span><span class="s2">&quot;Test set accuracy with Logistic Regression and scaled data: </span><span class="si">{:.2f}</span><span class="s2">&quot;</span><span class="o">.</span><span class="n">format</span><span class="p">(</span><span class="n">logreg</span><span class="o">.</span><span class="n">score</span><span class="p">(</span><span class="n">X_test_scaled</span><span class="p">,</span><span class="n">y_test</span><span class="p">)))</span>
<span class="kn">import</span> <span class="nn">scikitplot</span> <span class="k">as</span> <span class="nn">skplt</span>
<span class="n">y_pred</span> <span class="o">=</span> <span class="n">logreg</span><span class="o">.</span><span class="n">predict</span><span class="p">(</span><span class="n">X_test_scaled</span><span class="p">)</span>
<span class="n">skplt</span><span class="o">.</span><span class="n">metrics</span><span class="o">.</span><span class="n">plot_confusion_matrix</span><span class="p">(</span><span class="n">y_test</span><span class="p">,</span> <span class="n">y_pred</span><span class="p">,</span> <span class="n">normalize</span><span class="o">=</span><span class="kc">True</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
<span class="n">y_probas</span> <span class="o">=</span> <span class="n">logreg</span><span class="o">.</span><span class="n">predict_proba</span><span class="p">(</span><span class="n">X_test_scaled</span><span class="p">)</span>
<span class="n">skplt</span><span class="o">.</span><span class="n">metrics</span><span class="o">.</span><span class="n">plot_roc</span><span class="p">(</span><span class="n">y_test</span><span class="p">,</span> <span class="n">y_probas</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
<span class="n">skplt</span><span class="o">.</span><span class="n">metrics</span><span class="o">.</span><span class="n">plot_cumulative_gain</span><span class="p">(</span><span class="n">y_test</span><span class="p">,</span> <span class="n">y_probas</span><span class="p">)</span>
<span class="n">plt</span><span class="o">.</span><span class="n">show</span><span class="p">()</span>
</pre></div>
</div>
</div>
</div>
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