Learning to bin: differentiable and Bayesian optimization for multi-dimensional discriminants in high-energy physics

Discretizing raw features into bucketized attribute representations is a popular step before sharing a dataset. It is, however, evident that this step can cause significant bias in data and amplify unfairness in downstream tasks. In this paper, we address this issue by introducing the unbiased binning problem that, given an attribute to bucketize, finds its closest discretization to equal-size binning that satisfies group parity across different buckets. Defining a small set of boundary candidates, we prove that unbiased binning must select its boundaries from this set. We then develop an efficient dynamic programming algorithm on top of the boundary candidates to solve the unbiased binning problem. Finding an unbiased binning may sometimes result in a high price of fairness, or it may not even exist, especially when group values follow different distributions. Considering that a small bias in the group ratios may be tolerable in such settings, we introduce the epsilon-biased binning problem that bounds the group disparities across buckets to a small value epsilon. We first develop a dynamic programming solution, DP, that finds the optimal binning in quadratic time. The DP algorithm, while polynomial, does not scale to very large settings. Therefore, we propose a practically scalable algorithm, based on local search (LS), for epsilon-biased binning. The key component of the LS algorithm is a divide-and-conquer (D&C) algorithm that finds a near-optimal solution for the problem in near-linear time. We prove that D&C finds a valid solution for the problem unless none exists. The LS algorithm then initiates a local search, using the D&C solution as the upper bound, to find the optimal solution.

Univariate and multivariate normal probability distributions are widely used when modeling decisions under uncertainty. Computing the performance of such models requires integrating these distributions over specific domains, which can vary widely across models. Besides some special cases, there exist no general analytical expressions, standard numerical methods or software for these integrals. Here we present mathematical results and open-source software that provide (i) the probability in any domain of a normal in any dimensions with any parameters, (ii) the probability density, cumulative distribution, and inverse cumulative distribution of any function of a normal vector, (iii) the classification errors among any number of normal distributions, the Bayes-optimal discriminability index and relation to the operating characteristic, (iv) ways to scale the discriminability of two distributions, (v) dimension reduction and visualizations for such problems, and (vi) tests for how reliably these methods may be used on given data. We demonstrate these tools with vision research applications of detecting occluding objects in natural scenes, and detecting camouflage.

This tutorial explains Linear Discriminant Analysis (LDA) and Quadratic Discriminant Analysis (QDA) as two fundamental classification methods in statistical and probabilistic learning. We start with the optimization of decision boundary on which the posteriors are equal. Then, LDA and QDA are derived for binary and multiple classes. The estimation of parameters in LDA and QDA are also covered. Then, we explain how LDA and QDA are related to metric learning, kernel principal component analysis, Mahalanobis distance, logistic regression, Bayes optimal classifier, Gaussian naive Bayes, and likelihood ratio test. We also prove that LDA and Fisher discriminant analysis are equivalent. We finally clarify some of the theoretical concepts with simulations we provide.