Hierarchical Empirical-Bayes Naive Bayes: Minimax Smoothing and Calibration with AODE Extension
Authors: Nguyen Thai Anh, Truong Viet Vu, Tran Thien Thanh, Vo Nguyen Quoc Bao, Ngo Hoang Tu
Abstract
The Naive Bayes (NB) classifier remains a standard choice for categorical data, yet its widely used smoothing rules, such as Laplace, Lidstone, Krichevsky-Trofimov, and the m-estimate, all prescribe a fixed smoothing strength that ignores feature cardinality, sample size, and class imbalance, inducing a non-vanishing bias on modern high-cardinality tabular data. We propose hierarchical empirical-Bayes Naive Bayes (HEB-NB), in which each class-feature conditional probability is smoothed by a Dirichlet prior whose concentration is learned data-adaptively via Type-II maximum likelihood, enabling principled information sharing across classes while retaining closed-form inference. We further introduce HEB average one-dependence estimators (HEB-AODE), showing that the adaptive smoothing transfers cleanly to structural relaxations of NB. Theoretically, we establish a non-asymptotic ℓ1 error bound for HEB-NB matching the empirical-distribution minimax rate plus a vanishing data-adaptive bias, together with a matching Laplace-tight lower bound that yields a finite-sample, risk-level strict separation from Laplace. We further derive a plug-in excess Bayes-risk bound via total-variation tensorization and a population top-1 expected calibration error (ECE) corollary. Empirically, across 31 UCI and OpenML benchmarks, HEB-NB attains the best average Friedman rank on probabilistic metrics, with up to 22.1% log-loss reductions on high-cardinality datasets and consistent improvements of HEB-AODE over vanilla AODE. Combining HEB-NB with mutual-information weighting reduces top-1 ECE by 41%-70%, demonstrating substantial gains in probabilistic accuracy and calibration.
Empirical Bayes (EB) performs simultaneous inference across many related latent variables. Classical EB assumes that the likelihood p(x | z) is tractable. In many scientific applications, however, the likelihood is available only through a simulator. This paper develops EB for such implicit likelihoods. We introduce simulation-based empirical Bayes (SBEB), which connects nonparametric EB to simulation-based inference (SBI). SBEB computes EB estimates without an explicit density by using the observed data, simulator samples, and an amortized inference network. SBEB iteratively refines the fitted EB prior toward the population prior. With several scientific simulators and real-world data, we demonstrate that SBEB improves accuracy over SBI with a fixed prior.
Bayesian Networks (BNs) are of interest from an explainable AI viewpoint, offering transparent probabilistic models for decision support. Baymex is a recently introduced multi-objective evolutionary algorithm for learning discretized BNs, enabling experts to trade-off different objectives of interest, such as likelihood, model complexity, and prior beliefs. While Baymex has been shown to outperform state-of-the-art BN learning approaches, Baymex still 1) requires a lot of computation time and 2) has only been evaluated on synthetic data. To improve scalability, we introduce a parallelization strategy as well as a mechanism that enables adaptively steering optimization toward networks that overfit less. We furthermore reconfigure Baymex to train a BN classifier through multi-objective optimization of cross-entropy loss and the BIC complexity term so as to evaluate its performance on real-world clinical classification tasks. Besides observing speedups up to over 54 times on a 16-core CPU, comparisons against clinically familiar baselines (decision trees, logistic regression, naive Bayes, and random forests) on two open-source (RADCURE and SUPPORT) and one in-house dataset, show that Baymex obtains statistically similar or better predictive performance while producing compact, clinically inspectable BNs. Importantly, Baymex finds multiple plausible BN classifiers that contain predictors consistent with established clinical factors.
Damy M. F. Ha, Thalea Schlender, Yvette M. van der Linden +2
We theoretically justify the recent empirical finding of [Teh et al., 2025] that a transformer pretrained on synthetically generated data achieves strong performance on empirical Bayes (EB) problems. We take an indirect approach to this question: rather than analyzing the model architecture or training dynamics, we ask why a pretrained Bayes estimator, trained under a prespecified training distribution, can adapt to arbitrary test distributions. Focusing on Poisson EB problems, we identify the existence of universal priors such that training under these priors yields a near-optimal regret bound of O(n1) uniformly over all test distributions. Our analysis leverages the classical phenomenon of posterior contraction in Bayesian statistics, showing that the pretrained transformer adapts to unknown test distributions precisely through posterior contraction. This perspective also explains the phenomenon of length generalization, in which the test sequence length exceeds the training length, as the model performs Bayesian inference using a generalized posterior.