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In safety-critical applications data-driven models must not only be accurate but also provide reliable uncertainty estimates. This property, commonly referred to as calibration, is essential for risk-aware decision-making. In regression a…

Machine Learning · Computer Science 2026-04-23 Jelke Wibbeke , Nico Schönfisch , Sebastian Rohjans , Andreas Rauh

Regression problems have been widely studied in machinelearning literature resulting in a plethora of regression models and performance measures. However, there are few techniques specially dedicated to solve the problem of how to…

Machine Learning · Computer Science 2021-07-06 Carlos Mougan , David Masip , Jordi Nin , Oriol Pujol

To evaluate a classification algorithm, it is common practice to plot the ROC curve using test data. However, the inherent randomness in the test data can undermine our confidence in the conclusions drawn from the ROC curve, necessitating…

Methodology · Statistics 2024-05-22 Zheshi Zheng , Bo Yang , Peter Song

We study the generation of prediction intervals in regression for uncertainty quantification. This task can be formalized as an empirical constrained optimization problem that minimizes the average interval width while maintaining the…

Machine Learning · Statistics 2021-03-01 Haoxian Chen , Ziyi Huang , Henry Lam , Huajie Qian , Haofeng Zhang

Aleatoric uncertainty captures the inherent randomness of the data, such as measurement noise. In Bayesian regression, we often use a Gaussian observation model, where we control the level of aleatoric uncertainty with a noise variance…

Machine Learning · Computer Science 2022-03-31 Sanyam Kapoor , Wesley J. Maddox , Pavel Izmailov , Andrew Gordon Wilson

Unlike classification, whose goal is to estimate the class of each data point in a dataset, prevalence estimation or quantification is a task that aims to estimate the distribution of classes in a dataset. The two main tasks in prevalence…

Machine Learning · Statistics 2025-07-09 Aime Bienfait Igiraneza , Christophe Fraser , Robert Hinch

Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over…

Machine Learning · Statistics 2020-12-08 Javier Antorán , James Urquhart Allingham , José Miguel Hernández-Lobato

Classical learning theory suggests that the optimal generalization performance of a machine learning model should occur at an intermediate model complexity, with simpler models exhibiting high bias and more complex models exhibiting high…

Machine Learning · Statistics 2020-11-09 Ben Adlam , Jeffrey Pennington

This paper deals with the problem of finding suboptimal values of an unknown function on the basis of measured data corrupted by bounded noise. As a prior, we assume that the unknown function is parameterized in terms of a number of basis…

Optimization and Control · Mathematics 2025-06-10 Jaap Eising , Jorge Cortes

We study the understanding of deep neural networks from the scope in which they are trained on. While the accuracy of these models is usually impressive on the aggregate level, they still make mistakes, sometimes on cases that appear to be…

Machine Learning · Computer Science 2023-12-12 Roozbeh Yousefzadeh

We consider a binary sequence generated by thresholding a hidden continuous sequence. The hidden variables are assumed to have a compound symmetry covariance structure with a single parameter characterizing the common correlation. We study…

Statistics Theory · Mathematics 2019-09-04 Haolei Weng , Yang Feng

Modern machine learning models are often trained in a setting where the number of parameters exceeds the number of training samples. To understand the implicit bias of gradient descent in such overparameterized models, prior work has…

Machine Learning · Statistics 2025-10-29 Hannes Matt , Dominik Stöger

Researchers have proposed several approaches for neural network (NN) based uncertainty quantification (UQ). However, most of the approaches are developed considering strong assumptions. Uncertainty quantification algorithms often perform…

Ultra-fast, precise, and controlled amplitude surrogates are essential for future LHC event generation. First, we investigate the noise reduction and biases of network ensembles and outline a new method to learn well-calibrated systematic…

High Energy Physics - Phenomenology · Physics 2026-04-09 Henning Bahl , Nina Elmer , Tilman Plehn , Ramon Winterhalder

The underlying assumption of many machine learning algorithms is that the training data and test data are drawn from the same distributions. However, the assumption is often violated in real world due to the sample selection bias between…

Machine Learning · Computer Science 2021-05-26 Wei Du , Xintao Wu

Building a scalable machine learning system for unsupervised anomaly detection via representation learning is highly desirable. One of the prevalent methods is using a reconstruction error from variational autoencoder (VAE) via maximizing…

Machine Learning · Computer Science 2020-05-08 Seonho Park , George Adosoglou , Panos M. Pardalos

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

We consider the problem of estimating how well a model class is capable of fitting a distribution of labeled data. We show that it is often possible to accurately estimate this "learnability" even when given an amount of data that is too…

Machine Learning · Computer Science 2019-03-26 Weihao Kong , Gregory Valiant

Deep Learning (DL) has made remarkable achievements in computer vision and adopted in safety critical domains such as medical imaging or autonomous drive. Thus, it is necessary to understand the uncertainty of the model to effectively…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Hyekyoung Hwang , Jitae Shin

In this PhD thesis, we propose a novel framework for uncertainty quantification in machine learning, which is based on proper scores. Uncertainty quantification is an important cornerstone for trustworthy and reliable machine learning…

Machine Learning · Computer Science 2025-08-26 Sebastian G. Gruber