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This paper studies the problem of post-hoc calibration of machine learning classifiers. We introduce the following desiderata for uncertainty calibration: (a) accuracy-preserving, (b) data-efficient, and (c) high expressive power. We show…

Machine Learning · Computer Science 2020-07-01 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

Miscalibration - a mismatch between a model's confidence and its correctness - of Deep Neural Networks (DNNs) makes their predictions hard to rely on. Ideally, we want networks to be accurate, calibrated and confident. We show that, as…

Machine Learning · Computer Science 2020-10-27 Jishnu Mukhoti , Viveka Kulharia , Amartya Sanyal , Stuart Golodetz , Philip H. S. Torr , Puneet K. Dokania

Accurate estimation of predictive uncertainty (model calibration) is essential for the safe application of neural networks. Many instances of miscalibration in modern neural networks have been reported, suggesting a trend that newer, more…

Machine Learning · Computer Science 2021-10-27 Matthias Minderer , Josip Djolonga , Rob Romijnders , Frances Hubis , Xiaohua Zhai , Neil Houlsby , Dustin Tran , Mario Lucic

Bayesian Model Calibration is used to revisit the problem of scaling factor calibration for semi-empirical correction of ab initio harmonic properties (e.g. vibrational frequencies and zero-point energies). A particular attention is devoted…

Chemical Physics · Physics 2016-11-15 Pascal Pernot , Fabien Cailliez

The task of calibration is to retrospectively adjust the outputs from a machine learning model to provide better probability estimates on the target variable. While calibration has been investigated thoroughly in classification, it has not…

Machine Learning · Statistics 2018-06-21 Hao Song , Meelis Kull , Peter Flach

The consideration of predictive uncertainty in medical imaging with deep learning is of utmost importance. We apply estimation of both aleatoric and epistemic uncertainty by variational Bayesian inference with Monte Carlo dropout to…

Image and Video Processing · Electrical Eng. & Systems 2021-04-27 Max-Heinrich Laves , Sontje Ihler , Jacob F. Fast , Lüder A. Kahrs , Tobias Ortmaier

It has been argued persuasively that, in order to evaluate climate models, the probability distributions of model output need to be compared to the corresponding empirical distributions of observed data. Distance measures between…

Methodology · Statistics 2013-07-17 Thordis L. Thorarinsdottir , Tilmann Gneiting , Nadine Gissibl

This paper tackles the challenge of detecting unreliable behavior in regression algorithms, which may arise from intrinsic variability (e.g., aleatoric uncertainty) or modeling errors (e.g., model uncertainty). First, we formally introduce…

Machine Learning · Computer Science 2024-06-12 Andres Altieri , Marco Romanelli , Georg Pichler , Florence Alberge , Pablo Piantanida

The Kullback-Leibler (KL) divergence is frequently used in data science. For discrete distributions on large state spaces, approximations of probability vectors may result in a few small negative entries, rendering the KL divergence…

Over the last few decades, various methods have been proposed for estimating prediction intervals in regression settings, including Bayesian methods, ensemble methods, direct interval estimation methods and conformal prediction methods. An…

Machine Learning · Statistics 2024-04-02 Nicolas Dewolf , Bernard De Baets , Willem Waegeman

A decision-theoretic characterization of perfect calibration is that an agent seeking to minimize a proper loss in expectation cannot improve their outcome by post-processing a perfectly calibrated predictor. Hu and Wu (FOCS'24) use this to…

Machine Learning · Computer Science 2025-11-18 Parikshit Gopalan , Konstantinos Stavropoulos , Kunal Talwar , Pranay Tankala

Mislabeled data is a pervasive issue that undermines the performance of machine learning systems in real-world applications. An effective approach to mitigate this problem is to detect mislabeled instances and subject them to special…

Machine Learning · Computer Science 2025-11-05 Ilies Chibane , Thomas George , Pierre Nodet , Vincent Lemaire

Calibration, the alignment between model confidence and prediction accuracy, is critical for the reliable deployment of large language models (LLMs). Existing works neglect to measure the generalization of their methods to other prompt…

Computation and Language · Computer Science 2025-01-08 Yuxi Xia , Pedro Henrique Luz de Araujo , Klim Zaporojets , Benjamin Roth

Uncertainty quantification is a central challenge in reliable and trustworthy machine learning. Naive measures such as last-layer scores are well-known to yield overconfident estimates in the context of overparametrized neural networks.…

Machine Learning · Computer Science 2023-05-24 Lucas Clarté , Bruno Loureiro , Florent Krzakala , Lenka Zdeborová

The calibration of predictive distributions has been widely studied in deep learning, but the same cannot be said about the more specific epistemic uncertainty as produced by Deep Ensembles, Bayesian Deep Networks, or Evidential Deep…

Machine Learning · Computer Science 2024-07-18 Mohammed Fellaji , Frédéric Pennerath , Brieuc Conan-Guez , Miguel Couceiro

The ability to ensure that a classifier gives reliable confidence scores is essential to ensure informed decision-making. To this end, recent work has focused on miscalibration, i.e., the over or under confidence of model scores. Yet…

Machine Learning · Computer Science 2023-04-28 Alexandre Perez-Lebel , Marine Le Morvan , Gaël Varoquaux

Most machine learning classifiers are designed to output posterior probabilities for the classes given the input sample. These probabilities may be used to make the categorical decision on the class of the sample; provided as input to a…

Machine Learning · Statistics 2024-08-07 Luciana Ferrer , Daniel Ramos

While in-context learning with large language models (LLMs) has shown impressive performance, we have discovered a unique miscalibration behavior where both correct and incorrect predictions are assigned the same level of confidence. We…

Computation and Language · Computer Science 2024-10-04 Wei Cheng , Tianlu Wang , Yanmin Ji , Fan Yang , Keren Tan , Yiyu Zheng

Theoretical guarantees for causal inference using propensity scores are partly based on the scores behaving like conditional probabilities. However, scores between zero and one, especially when outputted by flexible statistical estimators,…

Methodology · Statistics 2024-11-12 Rom Gutman , Ehud Karavani , Yishai Shimoni

Calibration is a pivotal aspect in predictive modeling, as it ensures that the predictions closely correspond with what we observe empirically. The contemporary calibration framework, however, is predominantly focused on prediction models…

Methodology · Statistics 2023-09-18 Bavo De Cock Campo