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Despite the great success of state-of-the-art deep neural networks, several studies have reported models to be over-confident in predictions, indicating miscalibration. Label Smoothing has been proposed as a solution to the over-confidence…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Shuang Ao , Stefan Rueger , Advaith Siddharthan

Concept Bottleneck Models (CBMs) predict through human-interpretable concepts, but they typically output point concept probabilities that conflate epistemic uncertainty (reducible model underspecification) with aleatoric uncertainty…

Artificial Intelligence · Computer Science 2026-04-28 Tanmoy Mukherjee , Thomas Bailleux , Pierre Marquis , Zied Bouraoui

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a…

Machine Learning · Computer Science 2024-05-24 Doheon Han , Nuno Moniz , Nitesh V Chawla

With rapid adoption of deep learning in critical applications, the question of when and how much to trust these models often arises, which drives the need to quantify the inherent uncertainties. While identifying all sources that account…

Machine Learning · Statistics 2019-11-22 Jayaraman J. Thiagarajan , Bindya Venkatesh , Prasanna Sattigeri , Peer-Timo Bremer

We present Causal Posterior Estimation (CPE), a novel method for Bayesian inference in simulator models, i.e., models where the evaluation of the likelihood function is intractable or too computationally expensive, but where one can…

Machine Learning · Computer Science 2025-05-28 Simon Dirmeier , Antonietta Mira

Binary classification is a task that involves the classification of data into one of two distinct classes. It is widely utilized in various fields. However, conventional classifiers tend to make overconfident predictions for data that…

Machine Learning · Computer Science 2025-03-13 Shoma Yokura , Akihisa Ichiki

Conformal inference provides a rigorous statistical framework for uncertainty quantification in machine learning, enabling well-calibrated prediction sets with precise coverage guarantees for any classification model. However, its reliance…

Context: Conducting experiments is central to research machine learning research to benchmark, evaluate and compare learning algorithms. Consequently it is important we conduct reliable, trustworthy experiments. Objective: We investigate…

Misclassification of binary responses, if ignored, may severely bias the maximum likelihood estimators (MLE) of regression parameters. For such data, a binary regression model incorporating misclassification probabilities is extensively…

Statistics Theory · Mathematics 2020-09-28 Arindam Chatterjee , Tathagata Bandyopadhyay , Sumanta Adhya

Positive--unlabeled (PU) learning considers two samples, a positive set P with observations from only one class and an unlabeled set U with observations from two classes. The goal is to classify observations in U. Class mixture proportion…

Methodology · Statistics 2020-01-13 Zhenfeng Lin , James P. Long

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

It is argued that the Calibrated Bayesian (CB) approach to statistical inference capitalizes on the strength of Bayesian and frequentist approaches to statistical inference. In the CB approach, inferences under a particular model are…

Methodology · Statistics 2011-08-10 Roderick Little

Calibration is a classical notion from the forecasting literature which aims to address the question: how should predicted probabilities be interpreted? In a world where we only get to observe (discrete) outcomes, how should we evaluate a…

Machine Learning · Computer Science 2025-09-03 Parikshit Gopalan , Lunjia Hu

In a standard classification framework a set of trustworthy learning data are employed to build a decision rule, with the final aim of classifying unlabelled units belonging to the test set. Therefore, unreliable labelled observations,…

Applications · Statistics 2019-11-20 Andrea Cappozzo , Francesca Greselin , Thomas Brendan Murphy

Technological and computational advances continuously drive forward the broad field of deep learning. In recent years, the derivation of quantities describing theuncertainty in the prediction - which naturally accompanies the modeling…

Machine Learning · Computer Science 2022-05-31 Christoph Koller , Göran Kauermann , Xiao Xiang Zhu

Performance prediction, the task of estimating a system's performance without performing experiments, allows us to reduce the experimental burden caused by the combinatorial explosion of different datasets, languages, tasks, and models. In…

Computation and Language · Computer Science 2021-02-11 Zihuiwen Ye , Pengfei Liu , Jinlan Fu , Graham Neubig

Calibrated probability outputs of trained classifiers are increasingly used as inputs to downstream regression estimands such as effects, prevalences, or disparities for a latent group observed only on a small labelled subset. A standard…

Methodology · Statistics 2026-05-14 Marcell T. Kurbucz

A widespread approach in machine learning to evaluate the quality of a classifier is to cross -- classify predicted and actual decision classes in a confusion matrix, also called error matrix. A classification tool which does not assume…

Machine Learning · Computer Science 2019-10-02 Ivo Düntsch , Günther Gediga

Consider a multi-class labelling problem, where the labels can take values in $[k]$, and a predictor predicts a distribution over the labels. In this work, we study the following foundational question: Are there notions of multi-class…

Machine Learning · Computer Science 2024-06-11 Parikshit Gopalan , Lunjia Hu , Guy N. Rothblum

Machine learning approaches for image classification have led to impressive advances in that field. For example, convolutional neural networks are able to achieve remarkable image classification accuracy across a wide range of applications…

Machine Learning · Statistics 2025-10-30 Christopher T. Franck , Anne R. Driscoll , Zoe Szajnfarber , William H. Woodall
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