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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

Simulation models often have parameters as input and return outputs to understand the behavior of complex systems. Calibration is the process of estimating the values of the parameters in a simulation model in light of observed data from…

Methodology · Statistics 2024-11-15 Özge Sürer

In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the development of new therapeutic agents. Estimating the…

Machine Learning · Computer Science 2024-07-22 Hannah Rosa Friesacher , Ola Engkvist , Lewis Mervin , Yves Moreau , Adam Arany

The adoption of deep learning across various fields has been extensive, yet there is a lack of focus on evaluating the performance of deep learning pipelines. Typically, with the increased use of large datasets and complex models, the…

Machine Learning · Computer Science 2024-05-21 Yewen Fan , Nian Si , Xiangchen Song , Kun Zhang

Bayesian Neural Networks (BNNs) offer a principled and natural framework for proper uncertainty quantification in the context of deep learning. They address the typical challenges associated with conventional deep learning methods, such as…

Computation · Statistics 2024-11-13 Zahra Moslemi , Yang Meng , Shiwei Lan , Babak Shahbaba

For speech classification tasks, deep learning models often achieve high accuracy but exhibit shortcomings in calibration, manifesting as classifiers exhibiting overconfidence. The significance of calibration lies in its critical role in…

Audio and Speech Processing · Electrical Eng. & Systems 2024-06-27 Yaqian Hao , Chenguang Hu , Yingying Gao , Shilei Zhang , Junlan Feng

Obtaining reliable and accurate quantification of uncertainty estimates from deep neural networks is important in safety-critical applications. A well-calibrated model should be accurate when it is certain about its prediction and indicate…

Machine Learning · Computer Science 2020-12-16 Ranganath Krishnan , Omesh Tickoo

Calibration$\unicode{x2014}$the problem of ensuring that predicted probabilities align with observed class frequencies$\unicode{x2014}$is a basic desideratum for reliable prediction with machine learning systems. Calibration error is…

Machine Learning · Statistics 2026-03-02 Eugène Berta , Sacha Braun , David Holzmüller , Francis Bach , Michael I. Jordan

Optimal decision making requires that classifiers produce uncertainty estimates consistent with their empirical accuracy. However, deep neural networks are often under- or over-confident in their predictions. Consequently, methods have been…

In critical decision support systems based on medical imaging, the reliability of AI-assisted decision-making is as relevant as predictive accuracy. Although deep learning models have demonstrated significant accuracy, they frequently…

Computer Vision and Pattern Recognition · Computer Science 2026-02-13 Hua Xu , Julián D. Arias-Londoño , Juan I. Godino-Llorente

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

Recent works have shown that deep neural networks can achieve super-human performance in a wide range of image classification tasks in the medical imaging domain. However, these works have primarily focused on classification accuracy,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-10 Gongbo Liang , Yu Zhang , Xiaoqin Wang , Nathan Jacobs

Given data with label noise (i.e., incorrect data), deep neural networks would gradually memorize the label noise and impair model performance. To relieve this issue, curriculum learning is proposed to improve model performance and…

Machine Learning · Computer Science 2022-08-23 Tingting Wu , Xiao Ding , Hao Zhang , Jinglong Gao , Li Du , Bing Qin , Ting Liu

Continual Learning (CL) focuses on maximizing the predictive performance of a model across a non-stationary stream of data. Unfortunately, CL models tend to forget previous knowledge, thus often underperforming when compared with an offline…

Machine Learning · Computer Science 2024-04-15 Lanpei Li , Elia Piccoli , Andrea Cossu , Davide Bacciu , Vincenzo Lomonaco

LLM decoding often relies on the model's predictive distribution to generate an output. Consequently, misalignment with respect to the true generating distribution leads to suboptimal decisions in practice. While a natural solution is to…

Machine Learning · Computer Science 2026-05-12 Tim Tomov , Dominik Fuchsgruber , Rajeev Verma , Stephan Günnemann

A statistical emulator can be used as a surrogate of complex physics-based calculations to drastically reduce the computational cost. Its successful implementation hinges on an accurate representation of the nonlinear response surface with…

Chemical Physics · Physics 2024-01-31 Xinyi Fang , Mengyang Gu , Jianzhong Wu

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

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

Reliable uncertainty estimation is critical for deploying neural networks (NNs) in real-world applications. While existing calibration techniques often rely on post-hoc adjustments or coarse-grained binning methods, they remain limited in…

Machine Learning · Computer Science 2025-05-30 Pedro Mendes , Paolo Romano , David Garlan

The advent of pre-trained language models (PLMs) has enabled significant performance gains in the field of natural language processing. However, recent studies have found PLMs to suffer from miscalibration, indicating a lack of accuracy in…

Computation and Language · Computer Science 2024-12-23 Geetanjali Bihani , Julia Rayz
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