It's done first draft wahoo
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@@ -9,7 +9,7 @@
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% This section establishes the notation and primary objective used throughout the chapter.
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Given a dataset $\mathcal{D} = \{(\mathbf{x}_i, y_i)\}_{i=1}^{n}$ with inputs
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$\mathbf{x}_i \in \mathcal{X}$ and binary labels $y_i \in \{0, 1\}$, we learn a
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scoring function $f_\theta : \mathcal{X} \to \mathbb{R}$ by fitting.
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scoring function $f_\theta : \mathcal{X} \to \mathbb{R}$ by minimising a surrogate loss on $\mathcal{D}$.
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The positive and negative subsets of $\mathcal{D}$ are:
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\[
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\mathcal{D}_1 = \{(\mathbf{x}_i, y_i) \in \mathcal{D} \mid y_i = 1\},
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@@ -46,12 +46,12 @@ surrogates for both the AUC objective \eqref{eq:objective-auc} and these point o
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\label{sec:roll-framework}
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In order to allow gradient-based learning methods to optimize AUC directly, we introduce
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ROLL --- Rate Optimized Likelihood Loss.
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ROLL, Rate Optimized Likelihood Loss.
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The core idea of ROLL is as follows: at each training step, differentiable distributions
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are fitted to the positive- and negative-class score outputs of $f_\theta$. AUC is then
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approximated by evaluating the estimated $\operatorname{TPR}$ at 99 evenly-spaced
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$\operatorname{FPR}$ values across $(0,1)$ and averaging --- a numerical integration of
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$\operatorname{FPR}$ values across $(0,1)$ and averaging, a numerical integration of
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the ROC curve. Because each per-threshold evaluation is differentiable through the fitted
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distributions, this AUC approximation can be maximized directly by gradient descent, with
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no threshold selection required at inference time.
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@@ -75,7 +75,7 @@ In practice, however, making these evaluations differentiable is not straightfor
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Directly optimizing TPR for FPR, or vice versa, is a non-differentiable problem.
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For this sub-section, we will reffer to an example of maximizing TPR given a fixed FPR,
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For this sub-section, we will refer to an example of maximizing TPR given a fixed FPR,
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though this can be reversed.
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For any loss $\mathcal{L}(\theta)$, in order
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@@ -99,7 +99,7 @@ by some $\varepsilon$ will not affect either TPR or FPR at all, and the derivati
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if $f_\theta(\mathbf{x}_i) = \tau$, the derivative of TPR/FPR w.r.t.\ $f_\theta(\mathbf{x}_i)$ becomes infinite. This derivative cannot be used
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to continuously fit our model.
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This necessitates a different approach, to make these calculations differentiable w.r.t the scores themselves, in order to fit this type of optimization into a learning platform.
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This necessitates a different approach, to make these calculations differentiable w.r.t.\ the scores themselves, in order to fit this type of optimization into a learning platform.
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\subsection{Score Distribution Fitting as a Solution}
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\label{sec:score-distribution-fitting}
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@@ -198,9 +198,8 @@ inner structure: each evaluates one empirical CDF at the $(1-\alpha)$-quantile o
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The two objectives are interchangeable at the implementation level: replacing
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$f_\theta(\mathbf{x})$ with $-f_\theta(\mathbf{x})$ and $y$ with $1 - y$ swaps the roles
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of the two populations, and passing target rate $1-\alpha$ to the resulting
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TPR@FPR objective recovers the FPR@TPR objective at rate $\alpha$. Because
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the two objectives are therefore interchangeable at the implementation level, all derivations
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and implementation details below are given for \eqref{eq:roll-tpr-at-fpr} only;
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TPR@FPR objective recovers the FPR@TPR objective at rate $\alpha$. All derivations
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and implementation details below are therefore given for \eqref{eq:roll-tpr-at-fpr} only;
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\eqref{eq:roll-fpr-at-tpr} follows by the same transformation applied to the inputs, with
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the target rate complemented to $1-\alpha$.
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\Cref{fig:roll-principle} provides a geometric view of \eqref{eq:roll-tpr-at-fpr}.
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@@ -213,7 +212,7 @@ the target rate complemented to $1-\alpha$.
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threshold $\tau$ (dashed) is placed at the $(1-\alpha)$-quantile of the negative
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class, so that exactly $\alpha$ fraction of negative scores exceed it ($\operatorname{FPR}=\alpha$).
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The shaded area under the positive-class PDF to the left of $\tau$ is
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$\hat{F}_1(\tau)$ --- the ROLL loss we minimize. Tick marks along the bottom represent
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$\hat{F}_1(\tau)$, the ROLL loss we minimize. Tick marks along the bottom represent
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observed positive-class scores. \textit{Lower}: corresponding CDFs $\hat{F}_0$ (blue)
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and $\hat{F}_1$ (orange). Reading horizontally at height $1-\alpha$ on $\hat{F}_0$
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gives $\tau$; reading $\hat{F}_1(\tau)$ off $\hat{F}_1$ at the same $\tau$ gives the
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@@ -406,7 +405,7 @@ The derivation is given in Appendix~\ref{appendix:kde-grad}; letting $\tau = \ha
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where $\tau = \hat{F}_0^{-1}(1-\alpha ; \mathcal{B}_0)$.
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The explicit sigmoid-kernel form of \eqref{eq:kde-grad-combined} — forward pass CDF, efficient gradient, and implementation notes — is given in Appendix~\ref{appendix:kde-sigmoid}.
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The explicit sigmoid-kernel form of \eqref{eq:kde-grad-combined}, forward pass CDF, efficient gradient, and implementation notes, is given in Appendix~\ref{appendix:kde-sigmoid}.
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Positive-class samples are weighted by their individual kernel
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PDF at $\tau$; negative-class samples are weighted by the mean positive-class kernel
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PDF scaled by each sample's share of the negative-class kernel mass.
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@@ -561,7 +560,7 @@ The scaling has no effect on the loss value itself or derived gradients.
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Silverman's rule derives the bandwidth proportionally to the data standard deviation,
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$h \propto \hat\sigma \cdot n^{-1/5}$, so dividing all scores by $\hat\sigma_\mathcal{B}$
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causes the bandwidth to scale by the same factor.
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The product $v \cdot (\tau - s_j)$ — the only quantity entering the sigmoid — is
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The product $v \cdot (\tau - s_j)$ (the only quantity entering the sigmoid) is
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therefore invariant under the rescaling.
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In the backward pass, gradients with respect to the normalised scores are multiplied
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by $1/\hat\sigma_\mathcal{B}$ to apply the chain rule, providing gradients mathematically
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@@ -586,7 +585,7 @@ nearest-threshold samples.
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We estimate the bandwidth using the Improved Sheather-Jones (ISJ)
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method~\cite{botev2010kde}, which minimises the asymptotic mean integrated squared
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error via an iterative plug-in procedure. ISJ tracks the true score distribution more
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closely than closed-form rules, as illustrated in \Cref{fig:density-fit-comparison}.
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closely than closed-form rules.
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Because ISJ is iterative, it can fail to converge on small or degenerate batches early
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in training. In those cases we fall back to Silverman's rule of
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thumb~\cite{silverman1986density},
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