338 lines
20 KiB
HTML
338 lines
20 KiB
HTML
<!--
|
|
Automatically generated HTML file from DocOnce source
|
|
(https://github.com/hplgit/doconce/)
|
|
-->
|
|
<html>
|
|
<head>
|
|
<meta http-equiv="Content-Type" content="text/html; charset=utf-8" />
|
|
<meta name="generator" content="DocOnce: https://github.com/hplgit/doconce/" />
|
|
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
|
|
<meta name="description" content="Data Analysis and Machine Learning: Preprocessing and Dimensionality Reduction">
|
|
|
|
<title>Data Analysis and Machine Learning: Preprocessing and Dimensionality Reduction</title>
|
|
|
|
<!-- Bootstrap style: bootstrap -->
|
|
<link href="https://netdna.bootstrapcdn.com/bootstrap/3.1.1/css/bootstrap.min.css" rel="stylesheet">
|
|
<!-- not necessary
|
|
<link href="https://netdna.bootstrapcdn.com/font-awesome/4.0.3/css/font-awesome.css" rel="stylesheet">
|
|
-->
|
|
|
|
<style type="text/css">
|
|
|
|
/* Add scrollbar to dropdown menus in bootstrap navigation bar */
|
|
.dropdown-menu {
|
|
height: auto;
|
|
max-height: 400px;
|
|
overflow-x: hidden;
|
|
}
|
|
|
|
/* Adds an invisible element before each target to offset for the navigation
|
|
bar */
|
|
.anchor::before {
|
|
content:"";
|
|
display:block;
|
|
height:50px; /* fixed header height for style bootstrap */
|
|
margin:-50px 0 0; /* negative fixed header height */
|
|
}
|
|
</style>
|
|
|
|
|
|
</head>
|
|
|
|
<!-- tocinfo
|
|
{'highest level': 2,
|
|
'sections': [('Reducing the number of degrees of freedom, overarching view',
|
|
2,
|
|
None,
|
|
'___sec0'),
|
|
('Preprocessing our data', 2, None, '___sec1'),
|
|
('More preprocessing', 2, None, '___sec2'),
|
|
('Simple preprocessing examples, Franke function and regression',
|
|
2,
|
|
None,
|
|
'___sec3'),
|
|
('Simple preprocessing examples, breast cancer data and '
|
|
'classification, Support Vector Machines',
|
|
2,
|
|
None,
|
|
'___sec4'),
|
|
('More on Cancer Data, now with Logistic Regression',
|
|
2,
|
|
None,
|
|
'___sec5'),
|
|
('Why should we think of reducing the dimensionality',
|
|
2,
|
|
None,
|
|
'___sec6'),
|
|
('Basic ideas of the Principal Component Analysis (PCA)',
|
|
2,
|
|
None,
|
|
'___sec7'),
|
|
('Introducing the Covariance and Correlation functions',
|
|
2,
|
|
None,
|
|
'___sec8'),
|
|
('Correlation Function and Design/Feature Matrix',
|
|
2,
|
|
None,
|
|
'___sec9'),
|
|
('Covariance Matrix Examples', 2, None, '___sec10'),
|
|
('Correlation Matrix', 2, None, '___sec11'),
|
|
('Correlation Matrix with Pandas', 2, None, '___sec12'),
|
|
('Correlation Matrix with Pandas and the Franke function',
|
|
2,
|
|
None,
|
|
'___sec13'),
|
|
('Rewriting the Covariance and/or Correlation Matrix',
|
|
2,
|
|
None,
|
|
'___sec14'),
|
|
('Towards the PCA theorem', 2, None, '___sec15'),
|
|
('The Algorithm before the Theorem', 2, None, '___sec16'),
|
|
('Writing our own PCA code', 2, None, '___sec17'),
|
|
('Compute the sample mean and center the data',
|
|
3,
|
|
None,
|
|
'___sec18'),
|
|
('Compute the sample covariance', 3, None, '___sec19'),
|
|
('Diagonalize the sample covariance matrix to obtain the '
|
|
'principal components',
|
|
3,
|
|
None,
|
|
'___sec20'),
|
|
('Classical PCA Theorem', 2, None, '___sec21'),
|
|
('Proof of the PCA Theorem', 2, None, '___sec22'),
|
|
('PCA Proof continued', 2, None, '___sec23'),
|
|
('The final step', 2, None, '___sec24'),
|
|
('Geometric Interpretation and link with Singular Value '
|
|
'Decomposition',
|
|
2,
|
|
None,
|
|
'___sec25'),
|
|
('Principal Component Analysis', 2, None, '___sec26'),
|
|
('PCA and scikit-learn', 2, None, '___sec27'),
|
|
('Back to the Cancer Data', 2, None, '___sec28'),
|
|
('More on the PCA', 2, None, '___sec29'),
|
|
('Incremental PCA', 2, None, '___sec30'),
|
|
('Randomized PCA', 2, None, '___sec31'),
|
|
('Kernel PCA', 2, None, '___sec32'),
|
|
('LLE', 2, None, '___sec33'),
|
|
('Other techniques', 2, None, '___sec34')]}
|
|
end of tocinfo -->
|
|
|
|
<body>
|
|
|
|
|
|
|
|
<script type="text/x-mathjax-config">
|
|
MathJax.Hub.Config({
|
|
TeX: {
|
|
equationNumbers: { autoNumber: "none" },
|
|
extensions: ["AMSmath.js", "AMSsymbols.js", "autobold.js", "color.js"]
|
|
}
|
|
});
|
|
</script>
|
|
<script type="text/javascript" async
|
|
src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.1/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
|
|
</script>
|
|
|
|
|
|
|
|
|
|
<!-- Bootstrap navigation bar -->
|
|
<div class="navbar navbar-default navbar-fixed-top">
|
|
<div class="navbar-header">
|
|
<button type="button" class="navbar-toggle" data-toggle="collapse" data-target=".navbar-responsive-collapse">
|
|
<span class="icon-bar"></span>
|
|
<span class="icon-bar"></span>
|
|
<span class="icon-bar"></span>
|
|
</button>
|
|
<a class="navbar-brand" href="DimRed-bs.html">Data Analysis and Machine Learning: Preprocessing and Dimensionality Reduction</a>
|
|
</div>
|
|
|
|
<div class="navbar-collapse collapse navbar-responsive-collapse">
|
|
<ul class="nav navbar-nav navbar-right">
|
|
<li class="dropdown">
|
|
<a href="#" class="dropdown-toggle" data-toggle="dropdown">Contents <b class="caret"></b></a>
|
|
<ul class="dropdown-menu">
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs001.html#___sec0" style="font-size: 80%;"><b>Reducing the number of degrees of freedom, overarching view</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs002.html#___sec1" style="font-size: 80%;"><b>Preprocessing our data</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs003.html#___sec2" style="font-size: 80%;"><b>More preprocessing</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs004.html#___sec3" style="font-size: 80%;"><b>Simple preprocessing examples, Franke function and regression</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs005.html#___sec4" style="font-size: 80%;"><b>Simple preprocessing examples, breast cancer data and classification, Support Vector Machines</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs006.html#___sec5" style="font-size: 80%;"><b>More on Cancer Data, now with Logistic Regression</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="#___sec6" style="font-size: 80%;"><b>Why should we think of reducing the dimensionality</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs008.html#___sec7" style="font-size: 80%;"><b>Basic ideas of the Principal Component Analysis (PCA)</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs009.html#___sec8" style="font-size: 80%;"><b>Introducing the Covariance and Correlation functions</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs010.html#___sec9" style="font-size: 80%;"><b>Correlation Function and Design/Feature Matrix</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs011.html#___sec10" style="font-size: 80%;"><b>Covariance Matrix Examples</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs012.html#___sec11" style="font-size: 80%;"><b>Correlation Matrix</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs013.html#___sec12" style="font-size: 80%;"><b>Correlation Matrix with Pandas</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs014.html#___sec13" style="font-size: 80%;"><b>Correlation Matrix with Pandas and the Franke function</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs015.html#___sec14" style="font-size: 80%;"><b>Rewriting the Covariance and/or Correlation Matrix</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs016.html#___sec15" style="font-size: 80%;"><b>Towards the PCA theorem</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs017.html#___sec16" style="font-size: 80%;"><b>The Algorithm before the Theorem</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs018.html#___sec17" style="font-size: 80%;"><b>Writing our own PCA code</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs018.html#___sec18" style="font-size: 80%;"> Compute the sample mean and center the data</a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs018.html#___sec19" style="font-size: 80%;"> Compute the sample covariance</a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs018.html#___sec20" style="font-size: 80%;"> Diagonalize the sample covariance matrix to obtain the principal components</a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs019.html#___sec21" style="font-size: 80%;"><b>Classical PCA Theorem</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs020.html#___sec22" style="font-size: 80%;"><b>Proof of the PCA Theorem</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs021.html#___sec23" style="font-size: 80%;"><b>PCA Proof continued</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs022.html#___sec24" style="font-size: 80%;"><b>The final step</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs023.html#___sec25" style="font-size: 80%;"><b>Geometric Interpretation and link with Singular Value Decomposition</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs024.html#___sec26" style="font-size: 80%;"><b>Principal Component Analysis</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs025.html#___sec27" style="font-size: 80%;"><b>PCA and scikit-learn</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs026.html#___sec28" style="font-size: 80%;"><b>Back to the Cancer Data</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs027.html#___sec29" style="font-size: 80%;"><b>More on the PCA</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs028.html#___sec30" style="font-size: 80%;"><b>Incremental PCA</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs029.html#___sec31" style="font-size: 80%;"><b>Randomized PCA</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs030.html#___sec32" style="font-size: 80%;"><b>Kernel PCA</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs031.html#___sec33" style="font-size: 80%;"><b>LLE</b></a></li>
|
|
<!-- navigation toc: --> <li><a href="._DimRed-bs032.html#___sec34" style="font-size: 80%;"><b>Other techniques</b></a></li>
|
|
|
|
</ul>
|
|
</li>
|
|
</ul>
|
|
</div>
|
|
</div>
|
|
</div> <!-- end of navigation bar -->
|
|
|
|
<div class="container">
|
|
|
|
<p> </p><p> </p><p> </p> <!-- add vertical space -->
|
|
|
|
<a name="part0007"></a>
|
|
<!-- !split -->
|
|
|
|
<h2 id="___sec6" class="anchor">Why should we think of reducing the dimensionality </h2>
|
|
|
|
<p>
|
|
In addition to the plot of the features, we study now also the covariance (and the correlation matrix).
|
|
We use also <b>Pandas</b> to compute the correlation matrix.
|
|
<p>
|
|
|
|
<!-- code=python (!bc pycod) typeset with pygments style "default" -->
|
|
<div class="highlight" style="background: #f8f8f8"><pre style="line-height: 125%"><span></span><span style="color: #008000; font-weight: bold">import</span> <span style="color: #0000FF; font-weight: bold">matplotlib.pyplot</span> <span style="color: #008000; font-weight: bold">as</span> <span style="color: #0000FF; font-weight: bold">plt</span>
|
|
<span style="color: #008000; font-weight: bold">import</span> <span style="color: #0000FF; font-weight: bold">numpy</span> <span style="color: #008000; font-weight: bold">as</span> <span style="color: #0000FF; font-weight: bold">np</span>
|
|
<span style="color: #008000; font-weight: bold">from</span> <span style="color: #0000FF; font-weight: bold">sklearn.model_selection</span> <span style="color: #008000; font-weight: bold">import</span> train_test_split
|
|
<span style="color: #008000; font-weight: bold">from</span> <span style="color: #0000FF; font-weight: bold">sklearn.datasets</span> <span style="color: #008000; font-weight: bold">import</span> load_breast_cancer
|
|
<span style="color: #008000; font-weight: bold">from</span> <span style="color: #0000FF; font-weight: bold">sklearn.linear_model</span> <span style="color: #008000; font-weight: bold">import</span> LogisticRegression
|
|
cancer <span style="color: #666666">=</span> load_breast_cancer()
|
|
<span style="color: #008000; font-weight: bold">import</span> <span style="color: #0000FF; font-weight: bold">pandas</span> <span style="color: #008000; font-weight: bold">as</span> <span style="color: #0000FF; font-weight: bold">pd</span>
|
|
<span style="color: #408080; font-style: italic"># Making a data frame</span>
|
|
cancerpd <span style="color: #666666">=</span> pd<span style="color: #666666">.</span>DataFrame(cancer<span style="color: #666666">.</span>data, columns<span style="color: #666666">=</span>cancer<span style="color: #666666">.</span>feature_names)
|
|
|
|
fig, axes <span style="color: #666666">=</span> plt<span style="color: #666666">.</span>subplots(<span style="color: #666666">15</span>,<span style="color: #666666">2</span>,figsize<span style="color: #666666">=</span>(<span style="color: #666666">10</span>,<span style="color: #666666">20</span>))
|
|
malignant <span style="color: #666666">=</span> cancer<span style="color: #666666">.</span>data[cancer<span style="color: #666666">.</span>target <span style="color: #666666">==</span> <span style="color: #666666">0</span>]
|
|
benign <span style="color: #666666">=</span> cancer<span style="color: #666666">.</span>data[cancer<span style="color: #666666">.</span>target <span style="color: #666666">==</span> <span style="color: #666666">1</span>]
|
|
ax <span style="color: #666666">=</span> axes<span style="color: #666666">.</span>ravel()
|
|
|
|
<span style="color: #008000; font-weight: bold">for</span> i <span style="color: #AA22FF; font-weight: bold">in</span> <span style="color: #008000">range</span>(<span style="color: #666666">30</span>):
|
|
_, bins <span style="color: #666666">=</span> np<span style="color: #666666">.</span>histogram(cancer<span style="color: #666666">.</span>data[:,i], bins <span style="color: #666666">=50</span>)
|
|
ax[i]<span style="color: #666666">.</span>hist(malignant[:,i], bins <span style="color: #666666">=</span> bins, alpha <span style="color: #666666">=</span> <span style="color: #666666">0.5</span>)
|
|
ax[i]<span style="color: #666666">.</span>hist(benign[:,i], bins <span style="color: #666666">=</span> bins, alpha <span style="color: #666666">=</span> <span style="color: #666666">0.5</span>)
|
|
ax[i]<span style="color: #666666">.</span>set_title(cancer<span style="color: #666666">.</span>feature_names[i])
|
|
ax[i]<span style="color: #666666">.</span>set_yticks(())
|
|
ax[<span style="color: #666666">0</span>]<span style="color: #666666">.</span>set_xlabel(<span style="color: #BA2121">"Feature magnitude"</span>)
|
|
ax[<span style="color: #666666">0</span>]<span style="color: #666666">.</span>set_ylabel(<span style="color: #BA2121">"Frequency"</span>)
|
|
ax[<span style="color: #666666">0</span>]<span style="color: #666666">.</span>legend([<span style="color: #BA2121">"Malignant"</span>, <span style="color: #BA2121">"Benign"</span>], loc <span style="color: #666666">=</span><span style="color: #BA2121">"best"</span>)
|
|
fig<span style="color: #666666">.</span>tight_layout()
|
|
plt<span style="color: #666666">.</span>show()
|
|
|
|
<span style="color: #008000; font-weight: bold">import</span> <span style="color: #0000FF; font-weight: bold">seaborn</span> <span style="color: #008000; font-weight: bold">as</span> <span style="color: #0000FF; font-weight: bold">sns</span>
|
|
correlation_matrix <span style="color: #666666">=</span> cancerpd<span style="color: #666666">.</span>corr()<span style="color: #666666">.</span>round(<span style="color: #666666">1</span>)
|
|
<span style="color: #408080; font-style: italic"># use the heatmap function from seaborn to plot the correlation matrix</span>
|
|
<span style="color: #408080; font-style: italic"># annot = True to print the values inside the square</span>
|
|
sns<span style="color: #666666">.</span>heatmap(data<span style="color: #666666">=</span>correlation_matrix, annot<span style="color: #666666">=</span><span style="color: #008000">True</span>)
|
|
plt<span style="color: #666666">.</span>show()
|
|
|
|
<span style="color: #408080; font-style: italic">#print eigvalues of correlation matrix</span>
|
|
EigValues, EigVectors <span style="color: #666666">=</span> np<span style="color: #666666">.</span>linalg<span style="color: #666666">.</span>eig(correlation_matrix)
|
|
<span style="color: #008000; font-weight: bold">print</span>(EigValues)
|
|
</pre></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>
|
|
In the second figure we have computed the so-called correlation
|
|
matrix, which in our case with thirty features becomes a \( 30\times 30 \)
|
|
matrix.
|
|
|
|
<p>
|
|
We constructed this matrix using <b>pandas</b> via the statements
|
|
<p>
|
|
|
|
<!-- code=python (!bc pycod) typeset with pygments style "default" -->
|
|
<div class="highlight" style="background: #f8f8f8"><pre style="line-height: 125%"><span></span>cancerpd <span style="color: #666666">=</span> pd<span style="color: #666666">.</span>DataFrame(cancer<span style="color: #666666">.</span>data, columns<span style="color: #666666">=</span>cancer<span style="color: #666666">.</span>feature_names)
|
|
</pre></div>
|
|
<p>
|
|
and then
|
|
<p>
|
|
|
|
<!-- code=python (!bc pycod) typeset with pygments style "default" -->
|
|
<div class="highlight" style="background: #f8f8f8"><pre style="line-height: 125%"><span></span>correlation_matrix <span style="color: #666666">=</span> cancerpd<span style="color: #666666">.</span>corr()<span style="color: #666666">.</span>round(<span style="color: #666666">1</span>)
|
|
</pre></div>
|
|
<p>
|
|
Diagonalizing this matrix we can in turn say something about which
|
|
features are of relevance and which are not. But before we proceed we
|
|
need to define covariance and correlation matrices. This leads us to
|
|
the classical Principal Component Analysis (PCA) theorem with
|
|
applications.
|
|
|
|
<p>
|
|
<p>
|
|
<!-- navigation buttons at the bottom of the page -->
|
|
<ul class="pagination">
|
|
<li><a href="._DimRed-bs006.html">«</a></li>
|
|
<li><a href="._DimRed-bs000.html">1</a></li>
|
|
<li><a href="._DimRed-bs001.html">2</a></li>
|
|
<li><a href="._DimRed-bs002.html">3</a></li>
|
|
<li><a href="._DimRed-bs003.html">4</a></li>
|
|
<li><a href="._DimRed-bs004.html">5</a></li>
|
|
<li><a href="._DimRed-bs005.html">6</a></li>
|
|
<li><a href="._DimRed-bs006.html">7</a></li>
|
|
<li class="active"><a href="._DimRed-bs007.html">8</a></li>
|
|
<li><a href="._DimRed-bs008.html">9</a></li>
|
|
<li><a href="._DimRed-bs009.html">10</a></li>
|
|
<li><a href="._DimRed-bs010.html">11</a></li>
|
|
<li><a href="._DimRed-bs011.html">12</a></li>
|
|
<li><a href="._DimRed-bs012.html">13</a></li>
|
|
<li><a href="._DimRed-bs013.html">14</a></li>
|
|
<li><a href="._DimRed-bs014.html">15</a></li>
|
|
<li><a href="._DimRed-bs015.html">16</a></li>
|
|
<li><a href="._DimRed-bs016.html">17</a></li>
|
|
<li><a href="">...</a></li>
|
|
<li><a href="._DimRed-bs032.html">33</a></li>
|
|
<li><a href="._DimRed-bs008.html">»</a></li>
|
|
</ul>
|
|
<!-- ------------------- end of main content --------------- -->
|
|
|
|
</div> <!-- end container -->
|
|
<!-- include javascript, jQuery *first* -->
|
|
<script src="https://ajax.googleapis.com/ajax/libs/jquery/1.10.2/jquery.min.js"></script>
|
|
<script src="https://netdna.bootstrapcdn.com/bootstrap/3.0.0/js/bootstrap.min.js"></script>
|
|
|
|
<!-- Bootstrap footer
|
|
<footer>
|
|
<a href="http://..."><img width="250" align=right src="http://..."></a>
|
|
</footer>
|
|
-->
|
|
|
|
|
|
<center style="font-size:80%">
|
|
<!-- copyright only on the titlepage -->
|
|
</center>
|
|
|
|
|
|
</body>
|
|
</html>
|
|
|
|
|