Statistical Learning
Variational Inference for Bayesian MIDAS Regression
We develop a Coordinate Ascent Variational Inference (CAVI) algorithm for Bayesian Mixed Data Sampling (MIDAS) regression with linear weight parameterizations. The model separates impact coeffcients from weighting function parameters through a normalization constraint, creating a bilinear structure that renders generic Hamiltonian Monte Carlo samplers unreliable while preserving conditional conjugacy exploitable by CAVI. Each variational update admits a closed-form solution: Gaussian for regression coefficients and weight parameters, Inverse-Gamma for the error variance. The algorithm propagates uncertainty across blocks through second moments, distinguishing it from naive plug-in approximations. In a Monte Carlo study spanning 21 data-generating configurations with up to 50 predictors, CAVI produces posterior means nearly identical to a block Gibbs sampler benchmark while achieving speedups of 107x to 1,772x (Table 9). Generic automatic differentiation VI (ADVI), by contrast, produces bias 714 times larger while being orders of magnitude slower, confirming the value of model-specific derivations. Weight function parameters maintain excellent calibration (coverage above 92%) across all configurations. Impact coefficient credible intervals exhibit the underdispersion characteristic of mean-field approximations, with coverage declining from 89% to 55% as the number of predictors grows a documented trade-off between speed and interval calibration that structured variational methods can address. An empirical application to realized volatility forecasting on S&P 500 daily returns cofirms that CAVI and Gibbs sampling yield virtually identical point forecasts, with CAVI completing each monthly estimation in under 10 milliseconds.
Dirichlet Scale Mixture Priors for Bayesian Neural Networks
Arnstad, August, Rønneberg, Leiv, Storvik, Geir
Neural networks are the cornerstone of modern machine learning, yet can be difficult to interpret, give overconfident predictions and are vulnerable to adversarial attacks. Bayesian neural networks (BNNs) provide some alleviation of these limitations, but have problems of their own. The key step of specifying prior distributions in BNNs is no trivial task, yet is often skipped out of convenience. In this work, we propose a new class of prior distributions for BNNs, the Dirichlet scale mixture (DSM) prior, that addresses current limitations in Bayesian neural networks through structured, sparsity-inducing shrinkage. Theoretically, we derive general dependence structures and shrinkage results for DSM priors and show how they manifest under the geometry induced by neural networks. In experiments on simulated and real world data we find that the DSM priors encourages sparse networks through implicit feature selection, show robustness under adversarial attacks and deliver competitive predictive performance with substantially fewer effective parameters. In particular, their advantages appear most pronounced in correlated, moderately small data regimes, and are more amenable to weight pruning. Moreover, by adopting heavy-tailed shrinkage mechanisms, our approach aligns with recent findings that such priors can mitigate the cold posterior effect, offering a principled alternative to the commonly used Gaussian priors.
JUCAL: Jointly Calibrating Aleatoric and Epistemic Uncertainty in Classification Tasks
Heiss, Jakob, Lambrecht, Sören, Weissteiner, Jakob, Wutte, Hanna, Žurič, Žan, Teichmann, Josef, Yu, Bin
We study post-calibration uncertainty for trained ensembles of classifiers. Specifically, we consider both aleatoric (label noise) and epistemic (model) uncertainty. Among the most popular and widely used calibration methods in classification are temperature scaling (i.e., pool-then-calibrate) and conformal methods. However, the main shortcoming of these calibration methods is that they do not balance the proportion of aleatoric and epistemic uncertainty. Not balancing these uncertainties can severely misrepresent predictive uncertainty, leading to overconfident predictions in some input regions while being underconfident in others. To address this shortcoming, we present a simple but powerful calibration algorithm Joint Uncertainty Calibration (JUCAL) that jointly calibrates aleatoric and epistemic uncertainty. JUCAL jointly calibrates two constants to weight and scale epistemic and aleatoric uncertainties by optimizing the negative log-likelihood (NLL) on the validation/calibration dataset. JUCAL can be applied to any trained ensemble of classifiers (e.g., transformers, CNNs, or tree-based methods), with minimal computational overhead, without requiring access to the models' internal parameters. We experimentally evaluate JUCAL on various text classification tasks, for ensembles of varying sizes and with different ensembling strategies. Our experiments show that JUCAL significantly outperforms SOTA calibration methods across all considered classification tasks, reducing NLL and predictive set size by up to 15% and 20%, respectively. Interestingly, even applying JUCAL to an ensemble of size 5 can outperform temperature-scaled ensembles of size up to 50 in terms of NLL and predictive set size, resulting in up to 10 times smaller inference costs. Thus, we propose JUCAL as a new go-to method for calibrating ensembles in classification.
Distillation and Interpretability of Ensemble Forecasts of ENSO Phase using Entropic Learning
Groom, Michael, Bassetti, Davide, Horenko, Illia, O'Kane, Terence J.
This paper introduces a distillation framework for an ensemble of entropy-optimal Sparse Probabilistic Approximation (eSPA) models, trained exclusively on satellite-era observational and reanalysis data to predict ENSO phase up to 24 months in advance. While eSPA ensembles yield state-of-the-art forecast skill, they are harder to interpret than individual eSPA models. We show how to compress the ensemble into a compact set of "distilled" models by aggregating the structure of only those ensemble members that make correct predictions. This process yields a single, diagnostically tractable model for each forecast lead time that preserves forecast performance while also enabling diagnostics that are impractical to implement on the full ensemble. An analysis of the regime persistence of the distilled model "superclusters", as well as cross-lead clustering consistency, shows that the discretised system accurately captures the spatiotemporal dynamics of ENSO. By considering the effective dimension of the feature importance vectors, the complexity of the input space required for correct ENSO phase prediction is shown to peak when forecasts must cross the boreal spring predictability barrier. Spatial importance maps derived from the feature importance vectors are introduced to identify where predictive information resides in each field and are shown to include known physical precursors at certain lead times. Case studies of key events are also presented, showing how fields reconstructed from distilled model centroids trace the evolution from extratropical and inter-basin precursors to the mature ENSO state. Overall, the distillation framework enables a rigorous investigation of long-range ENSO predictability that complements real-time data-driven operational forecasts.
Semi-Supervised Learning on Graphs using Graph Neural Networks
Chen, Juntong, Donnat, Claire, Klopp, Olga, Schmidt-Hieber, Johannes
Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses several common message passing architectures: node features are first propagated over the graph then mapped to responses via a nonlinear function. For least-squares estimation over GNNs with linear graph convolutions and a deep ReLU readout, we prove a sharp non-asymptotic risk bound that separates approximation, stochastic, and optimization errors. The bound makes explicit how performance scales with the fraction of labeled nodes and graph-induced dependence. Approximation guarantees are further derived for graph-smoothing followed by smooth nonlinear readouts, yielding convergence rates that recover classical nonparametric behavior under full supervision while characterizing performance when labels are scarce. Numerical experiments validate our theory, providing a systematic framework for understanding GNN performance and limitations.
Sinkhorn Barycenters with Free Support via Frank-Wolfe Algorithm
Giulia Luise, Saverio Salzo, Massimiliano Pontil, Carlo Ciliberto
We present a novel algorithm to estimate the barycenter of arbitrary probability distributions with respect to the Sinkhorn divergence. Based on a Frank-Wolfe optimization strategy, our approach proceeds by populating the support of the barycenter incrementally, without requiring any pre-allocation.
Supervising Unsupervised Learning
We introduce a framework to transfer knowledge acquired from a repository of (heterogeneous) supervised datasets to new unsupervised datasets. Our perspective avoids the subjectivity inherent in unsupervised learning by reducing it to supervised learning, and provides a principled way to evaluate unsupervised algorithms. We demonstrate the versatility of our framework via rigorous agnostic bounds on a variety of unsupervised problems. In the context of clustering, our approach helps choose the number of clusters and the clustering algorithm, remove the outliers, and provably circumvent Kleinberg's impossibility result. Experiments across hundreds of problems demonstrate improvements in performance on unsupervised data with simple algorithms despite the fact our problems come from heterogeneous domains. Additionally, our framework lets us leverage deep networks to learn common features across many small datasets, and perform zero shot learning.