330 lines
17 KiB
HTML
330 lines
17 KiB
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'sections': [('Plans for week 36', 2, None, '___sec0'),
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('Thursday September 3', 2, None, '___sec1'),
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('Why resampling methods', 2, None, '___sec2'),
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('Code example for the Bootstrap method', 2, None, '___sec20'),
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('Various steps in cross-validation', 2, None, '___sec21'),
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('The bias-variance tradeoff', 2, None, '___sec25'),
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<a class="navbar-brand" href="week36-bs.html">Week 36: Resampling techniques and Ordinary Least Square</a>
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<!-- navigation toc: --> <li><a href="._week36-bs001.html#___sec0" style="font-size: 80%;">Plans for week 36</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs002.html#___sec1" style="font-size: 80%;">Thursday September 3</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs003.html#___sec2" style="font-size: 80%;">Why resampling methods</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs004.html#___sec3" style="font-size: 80%;">Resampling methods</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs005.html#___sec4" style="font-size: 80%;">Resampling approaches can be computationally expensive</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs006.html#___sec5" style="font-size: 80%;">Why resampling methods ?</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs007.html#___sec6" style="font-size: 80%;">Statistical analysis</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs008.html#___sec7" style="font-size: 80%;">Linking the regression analysis with a statistical interpretation</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs009.html#___sec8" style="font-size: 80%;">Assumptions made</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs010.html#___sec9" style="font-size: 80%;">Expectation value and variance</a></li>
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<!-- navigation toc: --> <li><a href="#___sec10" style="font-size: 80%;">Expectation value and variance for \( \boldsymbol{\beta} \)</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs012.html#___sec11" style="font-size: 80%;">Resampling methods</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs013.html#___sec12" style="font-size: 80%;">Resampling methods: Jackknife and Bootstrap</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs014.html#___sec13" style="font-size: 80%;">Resampling methods: Jackknife</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs016.html#___sec15" style="font-size: 80%;">Resampling methods: Bootstrap</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs017.html#___sec16" style="font-size: 80%;">Resampling methods: Bootstrap background</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs018.html#___sec17" style="font-size: 80%;">Resampling methods: More Bootstrap background</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs019.html#___sec18" style="font-size: 80%;">Resampling methods: Bootstrap approach</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs020.html#___sec19" style="font-size: 80%;">Resampling methods: Bootstrap steps</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs021.html#___sec20" style="font-size: 80%;">Code example for the Bootstrap method</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs022.html#___sec21" style="font-size: 80%;">Various steps in cross-validation</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs023.html#___sec22" style="font-size: 80%;">How to set up the cross-validation for Ridge and/or Lasso</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs024.html#___sec23" style="font-size: 80%;">Cross-validation in brief</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs025.html#___sec24" style="font-size: 80%;">Code Example for Cross-validation and \( k \)-fold Cross-validation</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs026.html#___sec25" style="font-size: 80%;">The bias-variance tradeoff</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs027.html#___sec26" style="font-size: 80%;">Example code for Bias-Variance tradeoff</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs028.html#___sec27" style="font-size: 80%;">Understanding what happens</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs029.html#___sec28" style="font-size: 80%;">Summing up</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs030.html#___sec29" style="font-size: 80%;">Another Example from Scikit-Learn's Repository</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs031.html#___sec30" style="font-size: 80%;">More examples on bootstrap and cross-validation and errors</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs032.html#___sec31" style="font-size: 80%;">The same example but now with cross-validation</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs033.html#___sec32" style="font-size: 80%;">Cross-validation with Ridge</a></li>
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<!-- navigation toc: --> <li><a href="._week36-bs034.html#___sec33" style="font-size: 80%;">Friday September 4</a></li>
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<a name="part0011"></a>
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<!-- !split -->
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<h2 id="___sec10" class="anchor">Expectation value and variance for \( \boldsymbol{\beta} \) </h2>
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<p>
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With the OLS expressions for the parameters \( \boldsymbol{\beta} \) we can evaluate the expectation value
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$$
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\mathbb{E}(\boldsymbol{\beta}) = \mathbb{E}[ (\mathbf{X}^{\top} \mathbf{X})^{-1}\mathbf{X}^{T} \mathbf{Y}]=(\mathbf{X}^{T} \mathbf{X})^{-1}\mathbf{X}^{T} \mathbb{E}[ \mathbf{Y}]=(\mathbf{X}^{T} \mathbf{X})^{-1} \mathbf{X}^{T}\mathbf{X}\boldsymbol{\beta}=\boldsymbol{\beta}.
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$$
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This means that the estimator of the regression parameters is unbiased.
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<p>
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We can also calculate the variance
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<p>
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The variance of \( \boldsymbol{\beta} \) is
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$$
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\begin{eqnarray*}
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\mbox{Var}(\boldsymbol{\beta}) & = & \mathbb{E} \{ [\boldsymbol{\beta} - \mathbb{E}(\boldsymbol{\beta})] [\boldsymbol{\beta} - \mathbb{E}(\boldsymbol{\beta})]^{T} \}
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\\
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& = & \mathbb{E} \{ [(\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \mathbf{Y} - \boldsymbol{\beta}] \, [(\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \mathbf{Y} - \boldsymbol{\beta}]^{T} \}
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\\
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% & = & \mathbb{E} \{ [(\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \mathbf{Y}] \, [(\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \mathbf{Y}]^{T} \} - \boldsymbol{\beta} \, \boldsymbol{\beta}^{T}
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% \\
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% & = & \mathbb{E} \{ (\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \mathbf{Y} \, \mathbf{Y}^{T} \, \mathbf{X} \, (\mathbf{X}^{T} \mathbf{X})^{-1} \} - \boldsymbol{\beta} \, \boldsymbol{\beta}^{T}
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% \\
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& = & (\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \, \mathbb{E} \{ \mathbf{Y} \, \mathbf{Y}^{T} \} \, \mathbf{X} \, (\mathbf{X}^{T} \mathbf{X})^{-1} - \boldsymbol{\beta} \, \boldsymbol{\beta}^{T}
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\\
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& = & (\mathbf{X}^{T} \mathbf{X})^{-1} \, \mathbf{X}^{T} \, \{ \mathbf{X} \, \boldsymbol{\beta} \, \boldsymbol{\beta}^{T} \, \mathbf{X}^{T} + \sigma^2 \} \, \mathbf{X} \, (\mathbf{X}^{T} \mathbf{X})^{-1} - \boldsymbol{\beta} \, \boldsymbol{\beta}^{T}
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% \\
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% & = & (\mathbf{X}^T \mathbf{X})^{-1} \, \mathbf{X}^T \, \mathbf{X} \, \boldsymbol{\beta} \, \boldsymbol{\beta}^T \, \mathbf{X}^T \, \mathbf{X} \, (\mathbf{X}^T % \mathbf{X})^{-1}
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% \\
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% & & + \, \, \sigma^2 \, (\mathbf{X}^T \mathbf{X})^{-1} \, \mathbf{X}^T \, \mathbf{X} \, (\mathbf{X}^T \mathbf{X})^{-1} - \boldsymbol{\beta} \boldsymbol{\beta}^T
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\\
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& = & \boldsymbol{\beta} \, \boldsymbol{\beta}^{T} + \sigma^2 \, (\mathbf{X}^{T} \mathbf{X})^{-1} - \boldsymbol{\beta} \, \boldsymbol{\beta}^{T}
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\, \, \, = \, \, \, \sigma^2 \, (\mathbf{X}^{T} \mathbf{X})^{-1},
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\end{eqnarray*}
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$$
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<p>
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where we have used that \( \mathbb{E} (\mathbf{Y} \mathbf{Y}^{T}) =
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\mathbf{X} \, \boldsymbol{\beta} \, \boldsymbol{\beta}^{T} \, \mathbf{X}^{T} +
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\sigma^2 \, \mathbf{I}_{nn} \). From \( \mbox{Var}(\boldsymbol{\beta}) = \sigma^2
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\, (\mathbf{X}^{T} \mathbf{X})^{-1} \), one obtains an estimate of the
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variance of the estimate of the \( j \)-th regression coefficient:
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\( \boldsymbol{\sigma}^2 (\boldsymbol{\beta}_j ) = \boldsymbol{\sigma}^2 \sqrt{
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[(\mathbf{X}^{T} \mathbf{X})^{-1}]_{jj} } \). This may be used to
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construct a confidence interval for the estimates.
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<p>
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In a similar way, we can obtain analytical expressions for say the
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expectation values of the parameters \( \boldsymbol{\beta} \) and their variance
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when we employ Ridge regression, allowing us again to define a confidence interval.
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<p>
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It is rather straightforward to show that
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$$
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\mathbb{E} \big[ \boldsymbol{\beta}^{\mathrm{Ridge}} \big]=(\mathbf{X}^{T} \mathbf{X} + \lambda \mathbf{I}_{pp})^{-1} (\mathbf{X}^{\top} \mathbf{X})\boldsymbol{\beta}^{\mathrm{OLS}}.
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$$
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We see clearly that
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\( \mathbb{E} \big[ \boldsymbol{\beta}^{\mathrm{Ridge}} \big] \not= \boldsymbol{\beta}^{\mathrm{OLS}} \) for any \( \lambda > 0 \). We say then that the ridge estimator is biased.
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<p>
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We can also compute the variance as
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$$
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\mbox{Var}[\boldsymbol{\beta}^{\mathrm{Ridge}}]=\sigma^2[ \mathbf{X}^{T} \mathbf{X} + \lambda \mathbf{I} ]^{-1} \mathbf{X}^{T} \mathbf{X} \{ [ \mathbf{X}^{\top} \mathbf{X} + \lambda \mathbf{I} ]^{-1}\}^{T},
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$$
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and it is easy to see that if the parameter \( \lambda \) goes to infinity then the variance of Ridge parameters \( \boldsymbol{\beta} \) goes to zero.
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<p>
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With this, we can compute the difference
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$$
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\mbox{Var}[\boldsymbol{\beta}^{\mathrm{OLS}}]-\mbox{Var}(\boldsymbol{\beta}^{\mathrm{Ridge}})=\sigma^2 [ \mathbf{X}^{T} \mathbf{X} + \lambda \mathbf{I} ]^{-1}[ 2\lambda\mathbf{I} + \lambda^2 (\mathbf{X}^{T} \mathbf{X})^{-1} ] \{ [ \mathbf{X}^{T} \mathbf{X} + \lambda \mathbf{I} ]^{-1}\}^{T}.
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$$
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The difference is non-negative definite since each component of the
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matrix product is non-negative definite.
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This means the variance we obtain with the standard OLS will always for \( \lambda > 0 \) be larger than the variance of \( \boldsymbol{\beta} \) obtained with the Ridge estimator. This has interesting consequences when we discuss the so-called bias-variance trade-off below.
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<p>
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<p>
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