It depends: Incorporating correlations for joint aleatoric and epistemic uncertainties of high-dimensional output spaces
Authors: Leonhard F. Feiner, Manuel Nickel, Martin Menten, Laurin Lux, Rickmer Braren, Daniel Rueckert, Georgios Kaissis, Raphael Rehms, Johannes Paetzold
Organizations: AI in Medicine and Healthcare, Klinikum rechts der Isar, Technical University of Munich, Germany · Institute of Diagnostic and Interventional Radiology, Klinikum rechts der Isar, Technical University of Munich, Germany · Department of Diagnostic and Interventional Radiology and Nuclear Medicine, University Medical Center Hamburg-Eppendorf, Germany · Munich Center for Machine Learning (MCML), Munich, Germany. · Department of Radiology, Weill Cornell Medicine, New York, USA · German Cancer Consortium (DKTK), Munich partner site, Heidelberg, Germany · Department of Computing, Imperial College London, London, UK · Hasso Plattner Institute for Digital Engineering, University of Potsdam, Potsdam, Germany · Cornell Tech, Cornell University, New York, USA
Uncertainty Quantification (UQ) plays a vital role in enhancing the reliability of deep learning model predictions, especially in scenarios with high-dimensional output spaces. This paper addresses the dual nature of uncertainty -- aleatoric and epistemic -- focusing on their joint integration in high-dimensional regression tasks. For example, in applications like medical image segmentation or restoration, aleatoric uncertainty captures inherent data noise, while epistemic uncertainty quantifies the model's confidence in unfamiliar conditions. Modeling both jointly enables more reliable predictions by reflecting both unavoidable variability and knowledge gaps, whereas modeling only one limits transparency and robustness. We propose a novel approach that approximates the resulting joint uncertainty using a low-rank plus diagonal covariance structure, capturing essential output correlations while avoiding the computational burdens of full covariance matrices. Unlike prior work, our method explicitly combines aleatoric and epistemic uncertainties into a unified second-order distribution that supports robust downstream analyses like sampling and log-likelihood evaluation. We further introduce stabilization strategies for efficient training and inference, achieving superior UQ in the tasks of image inpainting, colorization, optical flow, and depth estimation.
Lee Kong Chian School of Medicine, Nanyang Technological University, Singapore · College of Computing and Data Science, Nanyang Technological University, Singapore · Centre for Medical Technologies & Innovations, National Health Group, Singapore