F. Javier Rubio

h-index1
2papers

2 Papers

27.4MLApr 24
Conformalized Super Learner

Zhanli Wu, Fabrizio Leisen, Miguel-Angel Luque-Fernandez et al.

The Super Learner (SL) is a widely used ensemble method that combines predictions from a library of learners based on their predictive performance. Interval predictions are of considerable practical interest because they allow uncertainty in predictions produced by an individual learner or an ensemble to be quantified. Several methods have been proposed for constructing interval predictions based on the SL, however, these approaches are typically justified using asymptotic arguments or rely on computationally intensive procedures such as the bootstrap. Conformal prediction (CP) is a machine learning framework for constructing prediction intervals with finite-sample and asymptotic coverage guarantees under mild conditions. We propose coupling CP with the SL through a natural construction that mirrors the original SL framework, using individual learner weights and combining learner-specific conformity scores via a weighted majority vote. We characterize the properties of the resulting SL-based prediction intervals for continuous outcomes. We cover settings under exchangeability, potential violations of exchangeability, and data-generating mechanisms exhibiting heteroscedasticity, sparsity, and other forms of distributional heterogeneity. A comprehensive simulation study shows that the conformalized SL achieves valid finite-sample coverage with competitive performance relative to the true data-generating mechanism. A central contribution of this work is an application to predicting creatinine levels using socio-demographic, biometric, and laboratory measurements. This example demonstrates the benefits of an ensemble with carefully selected learners designed to capture key aspects of complex regression functions, including non-linear effects, interactions, sparsity, heteroscedasticity, and robustness to outliers.R

MLJul 18, 2025
Conformalized Regression for Continuous Bounded Outcomes

Zhanli Wu, Fabrizio Leisen, F. Javier Rubio

Regression problems with bounded continuous outcomes frequently arise in real-world statistical and machine learning applications, such as the analysis of rates and proportions. A central challenge in this setting is predicting a response associated with a new covariate value. Most of the existing statistical and machine learning literature has focused either on point prediction of bounded outcomes or on interval prediction based on asymptotic approximations. We develop conformal prediction intervals for bounded outcomes based on transformation models and beta regression. We introduce tailored non-conformity measures based on residuals that are aligned with the underlying models, and account for the inherent heteroscedasticity in regression settings with bounded outcomes. We present a theoretical result on asymptotic marginal and conditional validity in the context of full conformal prediction, which remains valid under model misspecification. For split conformal prediction, we provide an empirical coverage analysis based on a comprehensive simulation study. The simulation study demonstrates that both methods provide valid finite-sample predictive coverage, including settings with model misspecification. Finally, we demonstrate the practical performance of the proposed conformal prediction intervals on real data and compare them with bootstrap-based alternatives.