uncertainty quality
Uncertainty Reliability Under Domain Shift: An Investigation for Data-Driven Blood Pressure Estimation in Photoplethysmography
Moulaeifard, Mohammad, Bench, Ciaran, Aston, Philip J., Strodthoff, Nils
Uncertainty quantification (UQ) is critical for safety-critical domains like healthcare, yet it is rarely evaluated under realistic out-of-distribution (OOD) conditions. Here, we assessed predictive performance and uncertainty reliability for deep learning-based blood pressure (BP) estimation from photoplethysmography (PPG) signals under both in-distribution (ID) and OOD settings. Using an XResNet1D-50 trained on PulseDB and tested on four external datasets, we compared deep ensembles (DE) and Monte Carlo dropout (MCD) with Gaussian negative log-likelihood (GNLL) and mean squared error (MSE) losses, optionally followed by post-hoc recalibration via conformal prediction (CP), temperature scaling (TS), and isotonic regression (IR). The key findings of our study are as follows: (1) DE provides stronger predictive robustness under domain shift than MCD, an advantage that becomes clear primarily under external shift. (2) Recalibrated GNLL-based methods yield the best uncertainty calibration (e.g., GNLL+DE+CP for systolic blood pressure (SBP), GNLL+DE+TS for diastolic blood pressure (DBP)), while MSE-based uncertainty requires recalibration to become practically useful. (3) Across settings, CP and TS offer the most consistent gains, with IR remaining competitive in several cases. Overall, our results identify DE-based methods as most robust for predictive performance under domain shift, GNLL as strongest for native UQ, and recalibration as essential for making MSE-based uncertainty practical. These findings highlight the need to jointly assess predictive accuracy and calibration on external data for trustworthy cuffless BP estimation
Evaluation of Multi-task Uncertainties in Joint Semantic Segmentation and Monocular Depth Estimation
Landgraf, Steven, Hillemann, Markus, Kapler, Theodor, Ulrich, Markus
While a number of promising uncertainty quantification methods have been proposed to address the prevailing shortcomings of deep neural networks like overconfidence and lack of explainability, quantifying predictive uncertainties in the context of joint semantic segmentation and monocular depth estimation has not been explored yet. Since many real-world applications are multi-modal in nature and, hence, have the potential to benefit from multi-task learning, this is a substantial gap in current literature. To this end, we conduct a comprehensive series of experiments to study how multi-task learning influences the quality of uncertainty estimates in comparison to solving both tasks separately.
Density-Regression: Efficient and Distance-Aware Deep Regressor for Uncertainty Estimation under Distribution Shifts
Morden deep ensembles technique achieves strong uncertainty estimation performance by going through multiple forward passes with different models. This is at the price of a high storage space and a slow speed in the inference (test) time. To address this issue, we propose Density-Regression, a method that leverages the density function in uncertainty estimation and achieves fast inference by a single forward pass. We prove it is distance aware on the feature space, which is a necessary condition for a neural network to produce high-quality uncertainty estimation under distribution shifts. Empirically, we conduct experiments on regression tasks with the cubic toy dataset, benchmark UCI, weather forecast with time series, and depth estimation under real-world shifted applications. We show that Density-Regression has competitive uncertainty estimation performance under distribution shifts with modern deep regressors while using a lower model size and a faster inference speed.
Efficient Multi-task Uncertainties for Joint Semantic Segmentation and Monocular Depth Estimation
Landgraf, Steven, Hillemann, Markus, Kapler, Theodor, Ulrich, Markus
Quantifying the predictive uncertainty emerged as a possible solution to common challenges like overconfidence or lack of explainability and robustness of deep neural networks, albeit one that is often computationally expensive. Many real-world applications are multi-modal in nature and hence benefit from multi-task learning. In autonomous driving, for example, the joint solution of semantic segmentation and monocular depth estimation has proven to be valuable. In this work, we first combine different uncertainty quantification methods with joint semantic segmentation and monocular depth estimation and evaluate how they perform in comparison to each other. Additionally, we reveal the benefits of multi-task learning with regard to the uncertainty quality compared to solving both tasks separately. Based on these insights, we introduce EMUFormer, a novel student-teacher distillation approach for joint semantic segmentation and monocular depth estimation as well as efficient multi-task uncertainty quantification. By implicitly leveraging the predictive uncertainties of the teacher, EMUFormer achieves new state-of-the-art results on Cityscapes and NYUv2 and additionally estimates high-quality predictive uncertainties for both tasks that are comparable or superior to a Deep Ensemble despite being an order of magnitude more efficient.
Towards Reliable Uncertainty Quantification via Deep Ensembles in Multi-output Regression Task
This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect of the number of neural networks used in the ensemble, which has been blindly adopted in previous studies, is scrutinized. As a result, an obvious trend towards underestimation of uncertainty as it increases is observed for the first time, and in this context, we propose the deep ensemble framework that applies the post-hoc calibration method to improve its uncertainty quantification performance. It is compared with Gaussian process regression and is shown to have superior performance in terms of regression accuracy ($\uparrow55\sim56\%$), reliability of estimated uncertainty ($\uparrow38\sim77\%$), and training efficiency ($\uparrow78\%$). Finally, the potential impact of the suggested framework on the Bayesian optimization is briefly examined, indicating that deep ensemble without calibration may lead to unintended exploratory behavior. This UQ framework can be seamlessly applied and extended to any regression task, as no special assumptions have been made for the specific problem used in this study.
Layer Ensembles
Oleksiienko, Illia, Iosifidis, Alexandros
Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper, we introduce a method for uncertainty estimation that considers a set of independent categorical distributions for each layer of the network, giving many more possible samples with overlapped layers than in the regular Deep Ensembles. We further introduce an optimized inference procedure that reuses common layer outputs, achieving up to 19x speed up and reducing memory usage quadratically. We also show that the method can be further improved by ranking samples, resulting in models that require less memory and time to run while achieving higher uncertainty quality than Deep Ensembles.
A Novel Regression Loss for Non-Parametric Uncertainty Optimization
Sicking, Joachim, Akila, Maram, Pintz, Maximilian, Wirtz, Tim, Fischer, Asja, Wrobel, Stefan
Quantification of uncertainty is one of the most promising approaches to establish safe machine learning. Despite its importance, it is far from being generally solved, especially for neural networks. One of the most commonly used approaches so far is Monte Carlo dropout, which is computationally cheap and easy to apply in practice. However, it can underestimate the uncertainty. We propose a new objective, referred to as second-moment loss (SML), to address this issue. While the full network is encouraged to model the mean, the dropout networks are explicitly used to optimize the model variance. We intensively study the performance of the new objective on various UCI regression datasets. Comparing to the state-of-the-art of deep ensembles, SML leads to comparable prediction accuracies and uncertainty estimates while only requiring a single model. Under distribution shift, we observe moderate improvements. As a side result, we introduce an intuitive Wasserstein distance-based uncertainty measure that is non-saturating and thus allows to resolve quality differences between any two uncertainty estimates.
Second-Moment Loss: A Novel Regression Objective for Improved Uncertainties
Sicking, Joachim, Akila, Maram, Pintz, Maximilian, Wirtz, Tim, Fischer, Asja, Wrobel, Stefan
Quantification of uncertainty is one of the most promising approaches to establish safe machine learning. Despite its importance, it is far from being generally solved, especially for neural networks. One of the most commonly used approaches so far is Monte Carlo dropout, which is computationally cheap and easy to apply in practice. However, it can underestimate the uncertainty. We propose a new objective, referred to as second-moment loss (SML), to address this issue. While the full network is encouraged to model the mean, the dropout networks are explicitly used to optimize the model variance. We analyze the performance of the new objective on various toy and UCI regression datasets. Comparing to the state-of-the-art of deep ensembles, SML leads to comparable prediction accuracies and uncertainty estimates while only requiring a single model. Under distribution shift, we observe moderate improvements. From a safety perspective also the study of worst-case uncertainties is crucial. In this regard we improve considerably. Finally, we show that SML can be successfully applied to SqueezeDet, a modern object detection network. We improve on its uncertainty-related scores while not deteriorating regression quality. As a side result, we introduce an intuitive Wasserstein distance-based uncertainty measure that is non-saturating and thus allows to resolve quality differences between any two uncertainty estimates.
Know Where To Drop Your Weights: Towards Faster Uncertainty Estimation
Kamath, Akshatha, Gnaneshwar, Dwaraknath, Valdenegro-Toro, Matias
Estimating epistemic uncertainty of models used in low-latency applications and Out-Of-Distribution samples detection is a challenge due to the computationally demanding nature of uncertainty estimation techniques. Estimating model uncertainty using approximation techniques like Monte Carlo Dropout (MCD), DropConnect (MCDC) requires a large number of forward passes through the network, rendering them inapt for low-latency applications. We propose Select-DC which uses a subset of layers in a neural network to model epistemic uncertainty with MCDC. Through our experiments, we show a significant reduction in the GFLOPS required to model uncertainty, compared to Monte Carlo DropConnect, with marginal trade-off in performance. We perform a suite of experiments on CIFAR 10, CIFAR 100, and SVHN datasets with ResNet and VGG models. We further show how applying DropConnect to various layers in the network with different drop probabilities affects the networks performance and the entropy of the predictive distribution.
Deep Sub-Ensembles for Fast Uncertainty Estimation in Image Classification
Fast estimates of model uncertainty are required for many robust robotics applications. Deep Ensembles provides state of the art uncertainty without requiring Bayesian methods, but still it is computationally expensive. In this paper we propose deep sub-ensembles, an approximation to deep ensembles where the core idea is to ensemble only the layers close to the output. Our results show that this idea enables a trade-off between error and uncertainty quality versus computational performance.