A different approach: Try to learn $\P^*$ directly.\\ \subtext{$\P^*$ is the data-generating distribution} Some terminology: \begin{tabular}{ll} $\mathcal{D} = \bigl\{ (x_i,y_i) \bigr\}_{i=1}^n$ & Dataset, sampled i.i.d. from $\P^*$ \\ $\P^*$ & Data-generating distribution \\ $\mathcal{P}$ & Family of potential distributions \\ $\hat{\P} \in \mathcal{P}$ & Optimal model of $\P^*$ \end{tabular} Some advantages \& applications: \begin{enumerate} \item Allows assumptions about data-generating process\\ \subtext{e.g. what is the likelihood of sampling $\mathcal{D}$}? \item Understand why some methods work\\ \subtext{e.g. on which distributions does the square loss work?} \item Encode prior knowledge into the model \item Quantify uncertainty of predictions \item Develop new decision rules \item Generate entirely new samples \end{enumerate} \subsection{Assumptions} \textbf{Assumption 1}: We assume $\mathcal{D}$ is i.i.d. sampled from $\P^*_{X,Y}$. Thus: $$ \P_\mathcal{D} = \prod_{i=1}^n \P_{X_i,Y_i} \qquad \text{(Independence)} $$ \remark i.i.d. is a strong assumption: often false in practice.\\ \subtext{e.g. sampling with temporal/spatial dependencies, bias, etc.} \method \textbf{General-purpose Estimators}\\ Methods that make no further assumptions, e.g. Histograms or Kernel Density Estimation (KDE).\\ \subtext{Generally require large $\mathcal{D}$ to be accurate, thus discouraged} \newpage \textbf{Assumption 2}: $\P^* \in \mathcal{P}$ (some family of param. models $\mathcal{P}$) \definition \textbf{Parametric family of distributions}\\ \smalltext{$\theta \in \Theta \subset \R^p$ fully describes the distribution $\P^\theta$} $$ \mathcal{P} = \Bigl\{ \P^\theta \ \Big|\ \theta \in \Theta \Bigr\} $$ The art here, is to choose $\mathcal{P}$ s.t. $\P^* \in \mathcal{P}$ is likely. Then: $$ \exists \theta^* \in \Theta:\quad \P^* = \P^{\theta^*} \in \mathcal{P} $$ \subtext{$\theta \mapsto \P^\theta$ is assumed to be continuous. The advantage of this is that, if $\theta$ is close to $\theta^*$, then $\P^\theta$ is close to $\P^{\theta^*}=\P^*$.} \subsection{Statistical Inference} \textbf{Problem}: How to choose $\hat{\P}$ from $\mathcal{P}$, s.t. $\hat{\P}$ is close to $\P^*$?\\ \subtext{If $\mathcal{P}$ is parametric, this is the same as looking for $\hat{\theta} \in \Theta$ close to $\theta^*$} {\footnotesize \notation if $Z$ has $\P_Z \in \mathcal{P} = \{ \P^\theta_Z \sep \theta \in \Theta \}$ \begin{align*} p(z;\theta) &= p_Z^\theta(z) \end{align*} \notation In the Bayesian context, where $\theta^*$ is sampled from $\P_\theta$: \begin{align*} p(\theta) &= p_{\theta^*}(\theta) \\ p(z \sep \theta) &= p_{Z|\theta^*=\theta}(z) \\ p(\theta \sep z) &= p_{\theta^*|Z=z} \end{align*} Where $p$ is either a density or mass function. } There are 2 paradigms: \begin{enumerate} \item \textbf{Frequentist}: Model only using observed data \item \textbf{Bayesian}: Model also using prior beliefs \end{enumerate} \subsubsection{Bayesian Paradigm} \textbf{Further Assumption}: $\theta^*$ is sampled from a distribution $\P_{\theta^*}$\\ \subtext{Note how $\P_{\theta^*} \neq \P^{\theta^*}$.} \theorem \textbf{Bayes' Theorem} (Applied to Inference) $$ \underbrace{p(\theta \sep \mathcal{D})}_\text{Posterior Belief} = \underbrace{\frac{p(\mathcal{D}\sep\theta)}{p(\mathcal{D})}}_\text{Update} \cdot \underbrace{p(\theta)}_\text{Prior Belief} $$ $$ p(\mathcal{D}) = \int p(\mathcal{D}\sep\theta) \cdot p(\theta)\ \text{d}\theta $$ \subsubsection{Maximum Likelihood Estimator (MLE)} Frequentist Approach: $\theta^*$ is considered fixed a priori. \method \textbf{Maximum Likelihood Estimator}\\ Finds $\hat{\theta}_\text{MLE}$, which maximizes chance of observing $\mathcal{D}$ over the possible distributions $\mathcal{P} = \bigl\{ \P^\theta_{X,Y} \sep \theta \in \Theta \bigr\}$. \definition \textbf{Maximum Likelihood Estimator}\\ \smalltext{Corresponding to $\hat{\P}_{X,Y}=\P^{\hat{\theta}_\text{MLE}}_{X,Y}$} $$ \hat{\theta}_\text{MLE} = \underset{\theta\in\Theta}{\text{arg max}}\ p(\mathcal{D};\theta) \overset{\text{i.i.d.}}{=} \underset{\theta\in\Theta}{\text{arg max}}\prod_{i=1}^n p\bigl( x_i,y_i;\theta \bigr) $$ {\footnotesize \remark Since $\log$ is strictly mon. increasing, the maximizer of the log-likelihood also maximizes the likelihood. } Applying several transformations: {\footnotesize \begin{align*} \hat{\theta}_\text{MLE} &= \underset{\theta\in\Theta}{\text{arg max}}\prod_{i=1}^n p\bigl( x_i,y_i;\theta \bigr) \\ &= \underset{\theta\in\Theta}{\text{arg max}}\ \log \Biggl( \prod_{i=1}^n p\bigl( x_i,y_i;\theta \bigr) \Biggr) \\ &= \underset{\theta\in\Theta}{\text{arg max}}\ \sum_{i=1}^n \log \Bigl( p\bigl( x_i,y_i;\theta \bigr) \Bigr) \\ &= \underbrace{\underset{\theta\in\Theta}{\text{arg min}}\ \sum_{i=1}^n -\log \Bigl( p\bigl( x_i,y_i;\theta \bigr) \Bigr)}_\text{Generative Model} \\ &= \underset{\theta\in\Theta}{\text{arg min}}\ \sum_{i=1}^n -\log \Bigl( p\bigl( y_i \sep x_i ; \theta \bigr)\cdot p(x_i) \Bigr) \\ &= \underset{\theta\in\Theta}{\text{arg min}}\ \sum_{i=1}^n -\log \Bigl( p\bigl( y_i \sep x_i ; \theta \bigr) \Bigr) + \underbrace{\sum_{i=1}^n - \log\bigl(p(x_i)\bigr)}_\text{Indep. from $\theta$} \\ &= \underbrace{\underset{\theta\in\Theta}{\text{arg min}}\ \sum_{i=1}^n -\log \Bigl( p\bigl( y_i \sep x_i ; \theta \bigr) \Bigr)}_\text{Discriminative Model} \end{align*} } This has turned into an optimization problem. 2 approaches: \begin{enumerate} \item Analytically: insert $p\bigl( x_i,y_i ; \theta \bigr)$ or $p\bigl( y_i \sep x_i ; \theta \bigr)$.\\ \subtext{There are closed-form expressions in this statistical model.} \item Numerically: Gradient Descent \end{enumerate} \remark MLE is useful: It can be shown to converge to $\theta^*$. \newpage \subsubsection{Maximum A Poseriori Estimator (MAP)} Bayesian Approach: $\theta^*$ is considered a random variable. \method \textbf{Maximum A Posteriori Estimator}\\ Finds $\hat{\theta}_\text{MAP}$, which maximizes post. belief $p(\theta\sep\mathcal{D})$, i.e. it finds the $\theta \in \Theta$ with the highest density \textit{after} obataining $\mathcal{D}$. \definition \textbf{Maximum A Posteriori Estimator}\\ \smalltext{Corresponding to $\hat{\P}_{X,Y} = \P^{\hat{\theta}_\text{MAP}}_{X,Y}$} $$ \hat{\theta}_\text{MAP} = \underset{\theta \in \Theta}{\text{arg max}}\ p\bigl( \theta\sep\mathcal{D} \bigr) $$ Applying several transformations: {\footnotesize \begin{align*} \hat{\theta}_\text{MAP} &= \underset{\theta \in \Theta}{\text{arg max}}\ p\bigl( \theta\sep\mathcal{D} \bigr) \\ &= \underset{\theta \in \Theta}{\text{arg max}}\ p\bigl( \mathcal{D}\sep\theta \bigr)\cdot p(\theta) \\ &\overset{\text{i.i.d.}}{=} \underbrace{\underset{\theta \in \Theta}{\text{arg max}}\Biggl( \prod_{i=1}^n p\bigl( x_i,y_i \sep \theta \bigr) \Biggr)\cdot p(\theta)}_\text{Generative Model} \\ &= \underset{\theta\in\Theta}{\text{arg min}} \sum_{i=1}^n -\log\Bigl( p\bigl( x_i,y_i \sep \theta \bigr) \Bigr) - \log\bigl( p(\theta) \bigr) \\ &= \underset{\theta\in\Theta}{\text{arg min}} \sum_{i=1}^n -\log\Bigl( p\bigl( y_i \sep x_i , \theta \bigr) \Bigr)\cdot p\bigl( x_i \sep \theta \bigr) - \log\bigl( p(\theta) \bigr) \\ &= \underset{\theta\in\Theta}{\text{arg min}} \sum_{i=1}^n -\log\Bigl( p\bigl( y_i \sep x_i , \theta \bigr) \Bigr) + \underbrace{\sum_{i=1}^n -\log\bigl( p(x_i) \bigr)}_\text{Indep. from $\theta$} - \log\bigl( p(\theta) \bigr) \\ &= \underbrace{\underset{\theta\in\Theta}{\text{arg min}} \sum_{i=1}^n -\log\Bigl( p\bigl( y_i \sep x_i , \theta \bigr) \Bigr) - \log\bigl( p(\theta) \bigr)}_\text{Discriminative Model} \end{align*} } {\footnotesize \remark Intuitively, we can use $p(\theta)$ as a weight for $\theta$, which can be used to introduce prior assumptions. } \lemma \textbf{MAP without prior knowledge is MLE}\\ \smalltext{Assume $\P_{\theta^*}=\mathcal{U}(\Theta)$} {\footnotesize $$ \hat{\theta}_\text{MAP} = \underset{\theta\in\Theta}{\text{arg max}} \prod_{i=1}^n p\bigl( x_i,y_i \sep \theta \bigr) = \underset{\theta\in\Theta}{\text{arg max}} \prod_{i=1}^n p\bigl( x_i,y_i; \theta \bigr) = \hat{\theta}_\text{MLE} $$ } \subtext{Since $p(\theta)$ can thus be eliminated} \newpage \subsection{Bayes Optimal Predictor} What can we do once we have $\hat{\P}$? We can estimate $\P_{\mathcal{Y}\sep X=x}$ and thus derive a decision rule $f^*(x)$. \definition \textbf{Bayes' Optimal Predictor}\\ \smalltext{Best possible predictor when knowing $\P_{\mathcal{Y}|X}$} $$ f^*(x) = \underset{a \in \mathcal{Y}}{\text{arg min}}\ \E\Bigl[ l(a,\mathcal{Y}) \sep X=x \Bigr] = \underset{a\in\mathcal{Y}}{\text{arg min}}\int p\bigl( y\sep x \bigr)\cdot l(a,y)\ \text{d}y $$ {\footnotesize \remark In practice, $\P_{\mathcal{Y}|X}$ is unknown, so $\hat{\P}_{Y|X}$ is used. } This is the theoretically best possible predictor over all function classes $F$, an optimal solution to supervised learning: $$ \hat{f} = \underset{f\in F}{\text{arg min}}\sum_{i=1}^n l\Bigl( f(x_i),y \Bigr) $$ \subtext{The proof for this is surprisingly straightforward} \subsection{Probabilistic Perspective: Regression}