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Quantifying uncertainty of predictions has been identified as one way to develop more trustworthy artificial intelligence (AI) models beyond conventional reporting of performance metrics. When considering their role in a clinical decision…

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

While local explanations for AI models can offer insights into individual predictions, such as feature importance, they are plagued by issues like instability. The unreliability of feature weights, often skewed due to poorly calibrated ML…

Artificial Intelligence · Computer Science 2024-01-09 Helena Lofstrom , Tuwe Lofstrom , Ulf Johansson , Cecilia Sonstrod

Recent advances in machine learning have significantly improved prediction accuracy in various applications. However, ensuring the calibration of probabilistic predictions remains a significant challenge. Despite efforts to enhance model…

Machine Learning · Statistics 2025-08-05 Yan Sun , Pratik Chaudhari , Ian J. Barnett , Edgar Dobriban

Handling uncertainty is critical for ensuring reliable decision-making in intelligent systems. Modern neural networks are known to be poorly calibrated, resulting in predicted confidence scores that are difficult to use. This article…

Machine Learning · Computer Science 2026-05-18 Gabriele Sanguin , Arjun Pakrashi , Marco Viola , Francesco Rinaldi

We propose a generic framework to calibrate accuracy and confidence of a prediction in deep neural networks through stochastic inferences. We interpret stochastic regularization using a Bayesian model, and analyze the relation between…

Machine Learning · Computer Science 2019-04-25 Seonguk Seo , Paul Hongsuck Seo , Bohyung Han

Deep Neural Networks (DNNs) excel in various domains but face challenges in providing accurate uncertainty estimates, which are crucial for high-stakes applications. Large Language Models (LLMs) have recently emerged as powerful tools,…

Computation and Language · Computer Science 2024-06-18 Han Liu , Yupeng Zhang , Bingning Wang , Weipeng Chen , Xiaolin Hu

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

With the advancement of deep learning technology, neural networks have demonstrated their excellent ability to provide accurate predictions in many tasks. However, a lack of consideration for neural network calibration will not gain trust…

Machine Learning · Computer Science 2022-11-30 Lei Hsiung , Yung-Chen Tang , Pin-Yu Chen , Tsung-Yi Ho

Confidence estimation (CE) indicates how reliable the answers of large language models are and impacts user trust and decision-making. Existing evaluations mainly concern the alignment between confidence and correctness, but ignore the…

Computation and Language · Computer Science 2026-05-29 Yuxi Xia , Dennis Ulmer , Terra Blevins , Yihong Liu , Hinrich Schütze , Benjamin Roth

Deep learning architectures have proved versatile in a number of drug discovery applications, including the modelling of in vitro compound activity. While controlling for prediction confidence is essential to increase the trust,…

Machine Learning · Computer Science 2018-10-23 Isidro Cortes-Ciriano , Andreas Bender

Machine unlearning aims to remove the influence of specific training data from a model while preserving reliable behavior on the remaining data, making reliable prediction and uncertainty estimation essential for evaluation. Calibration is…

Computation and Language · Computer Science 2026-05-21 Divyaksh Shukla , Ashutosh Modi

Calibration error is commonly adopted for evaluating the quality of uncertainty estimators in deep neural networks. In this paper, we argue that such a metric is highly beneficial for training predictive models, even when we do not…

Machine Learning · Statistics 2019-11-01 Jayaraman J. Thiagarajan , Bindya Venkatesh , Deepta Rajan

Multi-class classification methods that produce sets of probabilistic classifiers, such as ensemble learning methods, are able to model aleatoric and epistemic uncertainty. Aleatoric uncertainty is then typically quantified via the Bayes…

Machine Learning · Statistics 2023-04-20 Thomas Mortier , Viktor Bengs , Eyke Hüllermeier , Stijn Luca , Willem Waegeman

As probabilistic models continue to permeate various facets of our society and contribute to scientific advancements, it becomes a necessity to go beyond traditional metrics such as predictive accuracy and error rates and assess their…

Machine Learning · Statistics 2025-05-05 Ritwik Vashistha , Arya Farahi

This paper proposes a new metric to measure the calibration error of probabilistic binary classifiers, called test-based calibration error (TCE). TCE incorporates a novel loss function based on a statistical test to examine the extent to…

Machine Learning · Statistics 2023-06-27 Takuo Matsubara , Niek Tax , Richard Mudd , Ido Guy

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

The use of Deep Neural Network (DNN) models in risk-based decision-making has attracted extensive attention with broad applications in medical, finance, manufacturing, and quality control. To mitigate prediction-related risks in decision…

Machine Learning · Statistics 2023-10-11 Maryam Kheirandish , Shengfan Zhang , Donald G. Catanzaro , Valeriu Crudu

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

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