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Methods for reasoning under uncertainty are a key building block of accurate and reliable machine learning systems. Bayesian methods provide a general framework to quantify uncertainty. However, because of model misspecification and the use…

Machine Learning · Computer Science 2018-07-03 Volodymyr Kuleshov , Nathan Fenner , Stefano Ermon

Foundation models are trained on vast amounts of data at scale using self-supervised learning, enabling adaptation to a wide range of downstream tasks. At test time, these models exhibit zero-shot capabilities through which they can…

Artificial Intelligence · Computer Science 2023-11-28 Shiladitya Dutta , Hongbo Wei , Lars van der Laan , Ahmed M. Alaa

With the widespread success of deep neural networks in science and technology, it is becoming increasingly important to quantify the uncertainty of the predictions produced by deep learning. In this paper, we introduce a new method that…

Machine Learning · Computer Science 2019-08-15 Qingyang Wu , He Li , Lexin Li , Zhou Yu

Recalibration of binary probabilistic classifiers to a target prior probability is an important task in areas like credit risk management. However, recalibration of a classifier learned on a training dataset to a target on a test dataset in…

Machine Learning · Computer Science 2026-02-02 Dirk Tasche

Assessing model generalization under distribution shift is essential for real-world deployment, particularly when labeled test data is unavailable. This paper presents a unified and practical framework for unsupervised model evaluation and…

Machine Learning · Computer Science 2025-10-06 Weijian Deng , Weijie Tu , Ibrahim Radwan , Mohammad Abu Alsheikh , Stephen Gould , Liang Zheng

This paper studies distribution-free inference in settings where the data set has a hierarchical structure -- for example, groups of observations, or repeated measurements. In such settings, standard notions of exchangeability may not hold.…

Statistics Theory · Mathematics 2025-08-05 Yonghoon Lee , Rina Foygel Barber , Rebecca Willett

Class probabilities predicted by most multiclass classifiers are uncalibrated, often tending towards over-confidence. With neural networks, calibration can be improved by temperature scaling, a method to learn a single corrective…

Machine Learning · Computer Science 2019-10-29 Meelis Kull , Miquel Perello-Nieto , Markus Kängsepp , Telmo Silva Filho , Hao Song , Peter Flach

We introduce inference methods for score decompositions, which partition scoring functions for predictive assessment into three interpretable components: miscalibration, discrimination, and uncertainty. Our estimation and inference relies…

Econometrics · Economics 2026-03-05 Timo Dimitriadis , Marius Puke

What does it mean to say that, for example, the probability for rain tomorrow is between 20% and 30%? The theory for the evaluation of precise probabilistic forecasts is well-developed and is grounded in the key concepts of proper scoring…

Machine Learning · Computer Science 2024-10-31 Christian Fröhlich , Robert C. Williamson

Abstract Post hoc recalibration of prediction uncertainties of machine learning regression problems by isotonic regression might present a problem for bin-based calibration error statistics (e.g. ENCE). Isotonic regression often produces…

Methodology · Statistics 2023-06-09 Pascal Pernot

Nonparametric estimation using uniform-width binning is a standard approach for evaluating the calibration performance of machine learning models. However, existing theoretical analyses of the bias induced by binning are limited to binary…

Machine Learning · Computer Science 2025-07-14 Masahiro Fujisawa , Futoshi Futami

We prove a fundamental impossibility theorem: neural networks cannot simultaneously learn well-calibrated confidence estimates with meaningful diversity when trained using binary correct/incorrect supervision. Through rigorous mathematical…

Machine Learning · Computer Science 2025-09-19 Arjun S. Nair , Kristina P. Sinaga

Distribution-free prediction sets play a pivotal role in uncertainty quantification for complex statistical models. Their validity hinges on reliable calibration data, which may not be readily available as real-world environments often…

Methodology · Statistics 2024-06-11 Elise Han , Chengpiao Huang , Kaizheng Wang

For an AI system to be reliable, the confidence it expresses in its decisions must match its accuracy. To assess the degree of match, examples are typically binned by confidence and the per-bin mean confidence and accuracy are compared.…

Machine Learning · Computer Science 2022-02-14 Rebecca Roelofs , Nicholas Cain , Jonathon Shlens , Michael C. Mozer

Many classification applications require accurate probability estimates in addition to good class separation but often classifiers are designed focusing only on the latter. Calibration is the process of improving probability estimates by…

Machine Learning · Computer Science 2020-01-31 Tuomo Alasalmi , Jaakko Suutala , Heli Koskimäki , Juha Röning

Reliable confidence estimation for the predictions is important in many safety-critical applications. However, modern deep neural networks are often overconfident for their incorrect predictions. Recently, many calibration methods have been…

Machine Learning · Computer Science 2023-03-07 Fei Zhu , Zhen Cheng , Xu-Yao Zhang , Cheng-Lin Liu

We study the interpretability of conditional probability estimates for binary classification under the agnostic setting or scenario. Under the agnostic setting, conditional probability estimates do not necessarily reflect the true…

Machine Learning · Computer Science 2017-03-01 Yihan Gao , Aditya Parameswaran , Jian Peng

In recent years, multicalibration has emerged as a desirable learning objective for ensuring that a predictor is calibrated across a rich collection of overlapping subpopulations. Existing approaches typically achieve multicalibration by…

Machine Learning · Computer Science 2025-05-26 Hongyi Henry Jin , Zijun Ding , Dung Daniel Ngo , Zhiwei Steven Wu

We study the problem of fair binary classification using the notion of Equal Opportunity. It requires the true positive rate to distribute equally across the sensitive groups. Within this setting we show that the fair optimal classifier is…

Statistics Theory · Mathematics 2020-02-05 Evgenii Chzhen , Christophe Denis , Mohamed Hebiri , Luca Oneto , Massimiliano Pontil

In regression problems where there is no known true underlying model, conformal prediction methods enable prediction intervals to be constructed without any assumptions on the distribution of the underlying data, except that the training…

Methodology · Statistics 2023-01-31 Wenyu Chen , Kelli-Jean Chun , Rina Foygel Barber
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