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<h1 id="Scikit-Learn-The-Best-Parts">Scikit-Learn The Best Parts<a class="anchor-link" href="#Scikit-Learn-The-Best-Parts">¶</a></h1><h2 id="Isaac-Lemon-Laughlin">Isaac Lemon Laughlin<a class="anchor-link" href="#Isaac-Lemon-Laughlin">¶</a></h2><p>Lead Instructor, Principal Data Scientist</p>
<p><a href="www.galvanize.com">Galvanize Inc.</a></p>
<p><a href="www.twitter.com/lemonlaug">@lemonlaug</a></p>
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<h1 id="Requirements">Requirements<a class="anchor-link" href="#Requirements">¶</a></h1>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="n">sklearn</span><span class="o">.</span><span class="n">__version__</span>
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<pre>'0.17.1'</pre>
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<h1 id="Agenda/Objectives">Agenda/Objectives<a class="anchor-link" href="#Agenda/Objectives">¶</a></h1><ol>
<li>What are Pipelines and FeatureUnions?</li>
<li>Why should I care?</li>
<li>Basic example of how they work.</li>
<li>Best practices for writing custom Transformers.</li>
<li>Get one hairy example under our belts.</li>
<li>Note some of the weaknesses and forthcoming features.</li>
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<h1 id="1.-What-are-Pipelines-and-FeatureUnions?">1. What are Pipelines and FeatureUnions?<a class="anchor-link" href="#1.-What-are-Pipelines-and-FeatureUnions?">¶</a></h1><ul>
<li>Method for chaining multiple estimators into a single one.</li>
<li>Estimators might include models, transformations etc.</li>
<li><code>FeatureUnion</code> takes calls estimators which returns columns in parallel and <code>np.hstack</code>s the results together.</li>
<li><code>Pipeline</code> Applies a sequence of transforms in series.</li>
<li>They can (and should) be used together.</li>
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<h1 id="The-Best-Part-of-sklearn">The Best Part of <code>sklearn</code><a class="anchor-link" href="#The-Best-Part-of-sklearn">¶</a></h1><ul>
<li>Other parts of <code>sklearn</code><ul>
<li>Supervised learning</li>
<li>Unsupervised learning</li>
<li>Model selection and evaluation</li>
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<h1 id="2.-Why-are-Pipelines-and-FeatureUnions-so-great?">2. Why are Pipelines and FeatureUnions so great?<a class="anchor-link" href="#2.-Why-are-Pipelines-and-FeatureUnions-so-great?">¶</a></h1><ul>
<li>Encourage good habits like:<ul>
<li>separation of concerns<ul>
<li>cross-validation, development/computation</li>
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</li>
<li>avoiding target-leakage by not accepting information about y in <code>transform</code>.</li>
<li>object orientedness</li>
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<li>Promotes modeling choices to parameters<ul>
<li>Transformation to linearize a feature</li>
<li>Handling missing values</li>
<li>Constructing features</li>
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<li>Readability<ul>
<li>Separates implementation details from general approach.</li>
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<li>Efficiency</li>
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<h1 id="2.-Why-are-Pipelines-and-FeatureUnions-so-great?">2. Why are Pipelines and FeatureUnions so great?<a class="anchor-link" href="#2.-Why-are-Pipelines-and-FeatureUnions-so-great?">¶</a></h1><p><img src="images/440px-CRISP-DM_Process_Diagram.png" alt="CRISP-DM Process Diagram"></p>
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<p>CRISP-DM is a formalization of the way many Data Scientists work. Pipelines serve to expedite two parts of this workflow: the back-and-forth between data preparation and modeling and in turn, the overall cyclic process.</p>
<p>Removing friction in this process means Data Scientists can explore more ideas, which is ultimately the process that leads to big gains in model performance. Note that data preparation involves feature engineering, which IMO is the single most important way to improve model performance in settings where the possibility of acquiring more data is real.</p>
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<h1 id="3.-How-do-they-work?">3. How do they work?<a class="anchor-link" href="#3.-How-do-they-work?">¶</a></h1><ul>
<li>Initialize with a list of (name, estimator) tuples.</li>
<li>All but the last of these estimators must implement <code>transform</code> method.</li>
<li>From the docs: <blockquote>Calling fit on the pipeline is the same as calling fit on each estimator in turn, transform the input and pass it on to the next step. The pipeline has all the methods that the last estimator in the pipeline has, i.e. if the last estimator is a classifier, the Pipeline can be used as a classifier. If the last estimator is a transformer, again, so is the pipeline.</blockquote></li>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="kn">from</span> <span class="nn">sklearn.pipeline</span> <span class="kn">import</span> <span class="n">Pipeline</span>
<span class="kn">from</span> <span class="nn">sklearn.svm</span> <span class="kn">import</span> <span class="n">SVC</span>
<span class="kn">from</span> <span class="nn">sklearn.decomposition</span> <span class="kn">import</span> <span class="n">PCA</span>
<span class="c1">#Pipelines are initialized with a list of (name, estimator) tuples.</span>
<span class="n">estimators</span> <span class="o">=</span> <span class="p">[(</span><span class="s1">'reduce_dim'</span><span class="p">,</span> <span class="n">PCA</span><span class="p">()),</span> <span class="p">(</span><span class="s1">'svm'</span><span class="p">,</span> <span class="n">SVC</span><span class="p">())]</span>
<span class="n">clf</span> <span class="o">=</span> <span class="n">Pipeline</span><span class="p">(</span><span class="n">estimators</span><span class="p">)</span>
<span class="n">clf</span>
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<pre>Pipeline(steps=[('reduce_dim', PCA(copy=True, n_components=None, whiten=False)), ('svm', SVC(C=1.0, cache_size=200, class_weight=None, coef0=0.0,
decision_function_shape=None, degree=3, gamma='auto', kernel='rbf',
max_iter=-1, probability=False, random_state=None, shrinking=True,
tol=0.001, verbose=False))])</pre>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="p">[</span><span class="n">x</span> <span class="k">for</span> <span class="n">x</span> <span class="ow">in</span> <span class="nb">dir</span><span class="p">(</span><span class="n">clf</span><span class="p">)</span> <span class="k">if</span> <span class="ow">not</span> <span class="n">x</span><span class="o">.</span><span class="n">startswith</span><span class="p">(</span><span class="s1">'_'</span><span class="p">)]</span>
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<pre>['classes_',
'decision_function',
'fit',
'fit_predict',
'fit_transform',
'get_params',
'inverse_transform',
'named_steps',
'predict',
'predict_log_proba',
'predict_proba',
'score',
'set_params',
'steps',
'transform']</pre>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="kn">from</span> <span class="nn">sklearn.grid_search</span> <span class="kn">import</span> <span class="n">GridSearchCV</span>
<span class="c1">#Grid searching!</span>
<span class="n">params</span> <span class="o">=</span> <span class="p">{</span><span class="s1">'reduce_dim__n_components'</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">12</span><span class="p">,</span><span class="mi">15</span><span class="p">,</span><span class="mi">20</span><span class="p">],</span>
<span class="s1">'svm__kernel'</span><span class="p">:[</span><span class="s1">'linear'</span><span class="p">,</span> <span class="s1">'rbf'</span><span class="p">]}</span>
<span class="n">gs</span> <span class="o">=</span> <span class="n">GridSearchCV</span><span class="p">(</span><span class="n">clf</span><span class="p">,</span> <span class="n">param_grid</span><span class="o">=</span><span class="n">params</span><span class="p">)</span>
<span class="c1">#Random data</span>
<span class="kn">from</span> <span class="nn">sklearn.datasets</span> <span class="kn">import</span> <span class="n">make_classification</span>
<span class="n">gs</span><span class="o">.</span><span class="n">fit</span><span class="p">(</span><span class="o">*</span><span class="n">make_classification</span><span class="p">())</span>
<span class="n">gs</span><span class="o">.</span><span class="n">best_params_</span>
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<pre>{'reduce_dim__n_components': 12, 'svm__kernel': 'linear'}</pre>
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<p>So our pipeline object has chained two estimators together and given us a single consistent interface for both. It turns out that it's very powerful to be able to think of our complex, multi-step model as a single model. Especially when it comes to CV, which because we do not assume independence of our parameters requires us to search all parameters together.</p>
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<h1 id="4.-Writing-custom-transformers">4. Writing custom transformers<a class="anchor-link" href="#4.-Writing-custom-transformers">¶</a></h1><p><code>sklearn</code> implements lots of good transformers, there are infinitely many more we may want to have so we'll often want to write our own.</p>
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<div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">sklearn.base</span> <span class="kn">import</span> <span class="n">TransformerMixin</span><span class="p">,</span> <span class="n">BaseEstimator</span>
<span class="k">class</span> <span class="nc">MyTransformer</span><span class="p">(</span><span class="n">TransformerMixin</span><span class="p">,</span> <span class="n">BaseEstimator</span><span class="p">):</span>
<span class="sd">"""Recommended signature for a custom transformer.</span>
<span class="sd"> Inheriting from TransformerMixin gives you fit_transform</span>
<span class="sd"> Inheriting from BaseEstimator gives you grid-searchable params.</span>
<span class="sd"> """</span>
<span class="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
<span class="sd">"""If you need to parameterize your transformer,</span>
<span class="sd"> set the args here.</span>
<span class="sd"> Inheriting from BaseEstimator introduces the constraint</span>
<span class="sd"> that the args all be named keyword args, no positional </span>
<span class="sd"> args or **kwargs.</span>
<span class="sd"> """</span>
<span class="k">pass</span>
<span class="o">...</span>
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<div class="highlight"><pre><span></span><span class="o">...</span>
<span class="k">def</span> <span class="nf">fit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">,</span> <span class="n">y</span><span class="p">):</span>
<span class="sd">"""Recommended signature for custom transformer's</span>
<span class="sd"> fit method.</span>
<span class="sd"> Set state here with whatever information</span>
<span class="sd"> is needed to transform later.</span>
<span class="sd"> In some cases fit may do nothing. For example transforming </span>
<span class="sd"> degrees Fahrenheit to Kelvin, requires no state.</span>
<span class="sd"> You can use y here, but won't have access to it in transform.</span>
<span class="sd"> """</span>
<span class="c1">#You have to return self, so we can chain!</span>
<span class="k">return</span> <span class="bp">self</span>
<span class="o">...</span>
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<div class="highlight"><pre><span></span><span class="o">...</span>
<span class="k">def</span> <span class="nf">transform</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">):</span>
<span class="sd">"""Recommended signature for custom transformer's</span>
<span class="sd"> transform method.</span>
<span class="sd"> Transform some X data, optionally using state set in fit. This X</span>
<span class="sd"> may be the same X passed to fit, but it may also be new data,</span>
<span class="sd"> as in the case of a CV dataset. Both are treated the same.</span>
<span class="sd"> """</span>
<span class="c1">#Do transforms.</span>
<span class="c1">#transformed = foo(X)</span>
<span class="k">return</span> <span class="n">transformed</span>
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<h1 id="Practice:">Practice:<a class="anchor-link" href="#Practice:">¶</a></h1><p>Re-implement StandardScaler using the above stub.</p>
<p>Standardize features by removing the mean and scaling to unit variance:</p>
$$ \frac{X - E(X)}{\sigma(X)} $$<h2 id="Practical-hint:">Practical hint:<a class="anchor-link" href="#Practical-hint:">¶</a></h2><p>Call your transformer <code>MyScaler</code> and save it in <code>scaler.py</code> then you can run unittests in tests/test_scaler.py.</p>
<p>Write your transformer from the notebook by:</p>
<div class="highlight"><pre><span></span><span class="o">%%</span><span class="n">writefile</span> <span class="n">scaler</span><span class="o">.</span><span class="n">py</span>
<span class="k">class</span> <span class="nc">MyScaler</span><span class="p">:</span>
<span class="o">...</span>
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<p>Then to run the tests from the notebook:</p>
<pre><code>!python -m unittest tests.test_scaler</code></pre>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="c1">#Try running some unittests to see if it's working correctly.</span>
<span class="o">!</span>python -m unittest tests.test_scaler
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<pre>...
----------------------------------------------------------------------
Ran 3 tests in 0.001s
OK
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<div class=" highlight hl-ipython2"><pre><span></span><span class="c1"># %load scaler.py</span>
<span class="kn">from</span> <span class="nn">sklearn.base</span> <span class="kn">import</span> <span class="n">TransformerMixin</span><span class="p">,</span> <span class="n">BaseEstimator</span>
<span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span>
<span class="k">class</span> <span class="nc">MyScaler</span><span class="p">(</span><span class="n">TransformerMixin</span><span class="p">,</span> <span class="n">BaseEstimator</span><span class="p">):</span>
<span class="sd">"""Scale to zero mean and unit variance.</span>
<span class="sd"> """</span>
<span class="k">def</span> <span class="nf">fit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">,</span> <span class="n">y</span><span class="p">):</span>
<span class="sd">"""Recommended signature for custom transformer's</span>
<span class="sd"> fit method.</span>
<span class="sd"> </span>
<span class="sd"> Set state in your transformer with whatever information</span>
<span class="sd"> is needed to transform later.</span>
<span class="sd"> """</span>
<span class="c1">#You have to return self, so we can chain!</span>
<span class="bp">self</span><span class="o">.</span><span class="n">mean</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">mean</span><span class="p">(</span><span class="n">X</span><span class="p">,</span> <span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
<span class="bp">self</span><span class="o">.</span><span class="n">scale</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">X</span><span class="p">,</span> <span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
<span class="k">return</span> <span class="bp">self</span>
<span class="k">def</span> <span class="nf">transform</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">):</span>
<span class="sd">"""Recommended signature for custom transformer's</span>
<span class="sd"> transform method.</span>
<span class="sd"> </span>
<span class="sd"> Use state (if any) to transform some X data. This X</span>
<span class="sd"> may be the same X passed to fit, but it may also be new data,</span>
<span class="sd"> as in the case of a CV dataset. Both are treated the same.</span>
<span class="sd"> """</span>
<span class="c1">#Do transforms.</span>
<span class="n">Xt</span> <span class="o">=</span> <span class="n">X</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
<span class="n">Xt</span> <span class="o">-=</span> <span class="bp">self</span><span class="o">.</span><span class="n">mean</span>
<span class="n">Xt</span> <span class="o">/=</span> <span class="bp">self</span><span class="o">.</span><span class="n">scale</span>
<span class="k">return</span> <span class="n">Xt</span>
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<h1 id="Feature-Union">Feature Union<a class="anchor-link" href="#Feature-Union">¶</a></h1><p>Calls <code>fit</code> and <code>transform</code> in parallel and <code>np.hstack</code>s the output together.</p>
<p><code>transformer_weights</code> can scale the terms in the feature union. Useful for grid searching in regularized settings.</p>
<p><code>n_jobs</code> arg can be used to get parallel computation.</p>
<p>For some complex transformers, alignment may be tricky! Pandas is good at this, but not helpful here because <code>np.hstack</code> is called, which ignores indexes.</p>
<p>Writing a generalizable transformer often means you will expect the correct column to be selected from your X matrix, oftentimes this means writing a selector, which is too bad.</p>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="kn">from</span> <span class="nn">sklearn.feature_extraction.text</span> <span class="kn">import</span> <span class="n">TfidfVectorizer</span>
<span class="kn">import</span> <span class="nn">pandas</span> <span class="kn">as</span> <span class="nn">pd</span>
<span class="k">class</span> <span class="nc">WordCounter</span><span class="p">(</span><span class="n">BaseEstimator</span><span class="p">,</span> <span class="n">TransformerMixin</span><span class="p">):</span>
<span class="k">def</span> <span class="nf">fit</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">,</span> <span class="n">y</span><span class="o">=</span><span class="bp">None</span><span class="p">):</span>
<span class="k">return</span> <span class="bp">self</span>
<span class="k">def</span> <span class="nf">transform</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span> <span class="n">X</span><span class="p">):</span>
<span class="n">split</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">vectorize</span><span class="p">(</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="nb">len</span><span class="p">(</span><span class="n">x</span><span class="o">.</span><span class="n">split</span><span class="p">()))</span>
<span class="k">return</span> <span class="n">split</span><span class="p">(</span><span class="n">X</span><span class="p">)[:,</span><span class="n">np</span><span class="o">.</span><span class="n">newaxis</span><span class="p">]</span>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="n">corpus</span> <span class="o">=</span> <span class="p">[</span><span class="s2">"What is your name?"</span><span class="p">,</span>
<span class="s2">"What is your favorite color?"</span><span class="p">,</span>
<span class="s2">"What is the airspeed velocity of an unladen swallow?"</span><span class="p">]</span>
<span class="n">fu</span> <span class="o">=</span> <span class="n">FeatureUnion</span><span class="p">([(</span><span class="s1">'tfidf'</span><span class="p">,</span> <span class="n">TfidfVectorizer</span><span class="p">()),</span>
<span class="p">(</span><span class="s1">'counter'</span><span class="p">,</span> <span class="n">WordCounter</span><span class="p">())])</span>
<span class="c1">#Pretty display of the output.</span>
<span class="n">pd</span><span class="o">.</span><span class="n">DataFrame</span><span class="p">(</span><span class="n">fu</span><span class="o">.</span><span class="n">fit_transform</span><span class="p">(</span><span class="n">corpus</span><span class="p">)</span><span class="o">.</span><span class="n">todense</span><span class="p">())</span>
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<th>0</th>
<th>1</th>
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<th>3</th>
<th>4</th>
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<th>6</th>
<th>7</th>
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<th>11</th>
<th>12</th>
<th>13</th>
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<th>0</th>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.391484</td>
<td>0.66284</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.391484</td>
<td>0.504107</td>
<td>4.0</td>
</tr>
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<th>1</th>
<td>0.00000</td>
<td>0.00000</td>
<td>0.55249</td>
<td>0.55249</td>
<td>0.326310</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.326310</td>
<td>0.420183</td>
<td>5.0</td>
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<th>2</th>
<td>0.36043</td>
<td>0.36043</td>
<td>0.00000</td>
<td>0.00000</td>
<td>0.212876</td>
<td>0.00000</td>
<td>0.36043</td>
<td>0.36043</td>
<td>0.36043</td>
<td>0.36043</td>
<td>0.36043</td>
<td>0.212876</td>
<td>0.000000</td>
<td>9.0</td>
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<h1 id="Practice">Practice<a class="anchor-link" href="#Practice">¶</a></h1><p>Write a feature union that takes a single-vector as input and returns 3 columns corresponding to the square-root transformation, the identity transformation, and the square transformation.</p>
<p><em>Hint:</em> <code>sklearn.preprocessing.FunctionTransformer</code> takes a function as an argument and converts it to a simple Transformer.</p>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="kn">from</span> <span class="nn">sklearn.preprocessing</span> <span class="kn">import</span> <span class="n">FunctionTransformer</span>
<span class="kn">from</span> <span class="nn">sklearn.pipeline</span> <span class="kn">import</span> <span class="n">FeatureUnion</span>
<span class="n">X</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">random</span><span class="o">.</span><span class="n">random</span><span class="p">((</span><span class="mi">100</span><span class="p">,</span><span class="mi">1</span><span class="p">))</span>
<span class="n">fu</span> <span class="o">=</span> <span class="n">FeatureUnion</span><span class="p">([(</span><span class="s1">'sqrt'</span><span class="p">,</span><span class="n">FunctionTransformer</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">)),</span>
<span class="p">(</span><span class="s1">'identity'</span><span class="p">,</span><span class="n">FunctionTransformer</span><span class="p">()),</span>
<span class="p">(</span><span class="s1">'square'</span><span class="p">,</span> <span class="n">FunctionTransformer</span><span class="p">(</span><span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="n">x</span><span class="o">**</span><span class="mi">2</span><span class="p">))])</span>
<span class="k">print</span><span class="p">(</span><span class="n">X</span><span class="p">[:</span><span class="mi">5</span><span class="p">])</span>
<span class="k">print</span><span class="p">(</span><span class="n">fu</span><span class="o">.</span><span class="n">fit_transform</span><span class="p">(</span><span class="n">X</span><span class="p">)[:</span><span class="mi">5</span><span class="p">])</span>
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<pre>[[ 0.11021486]
[ 0.64792271]
[ 0.19943493]
[ 0.8543808 ]
[ 0.71626191]]
[[ 0.33198624 0.11021486 0.01214732]
[ 0.80493646 0.64792271 0.41980384]
[ 0.44658139 0.19943493 0.03977429]
[ 0.92432722 0.8543808 0.72996655]
[ 0.84632258 0.71626191 0.51303113]]
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<h1 id="Notes/Direction">Notes/Direction<a class="anchor-link" href="#Notes/Direction">¶</a></h1><h2 id="Efficiency">Efficiency<a class="anchor-link" href="#Efficiency">¶</a></h2><p>Some grid search steps may duplicate a lot of work by fitting/transforming the same data repeatedly. Caching may be forthcoming.</p>
<h2 id="Inverse-Transforms">Inverse Transforms<a class="anchor-link" href="#Inverse-Transforms">¶</a></h2><p>If implemented, can be used.</p>
<h2 id="Post-processing/transformations-of-y.">Post-processing/transformations of y.<a class="anchor-link" href="#Post-processing/transformations-of-y.">¶</a></h2><p>Not currently available.</p>
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<div class=" highlight hl-ipython2"><pre><span></span><span class="o">!</span>unzip data/Train.zip
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<pre>Archive: data/Train.zip
inflating: Train.csv
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<h1 id="5.-Practice">5. Practice<a class="anchor-link" href="#5.-Practice">¶</a></h1><p>Putting it all together: creating a matrix of heterogeneous data types.</p>
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