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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

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

Reliable uncertainty calibration is essential for safely deploying deep neural networks in high-stakes applications. Deep neural networks are known to exhibit systematic overconfidence, especially under distribution shifts. Although…

Machine Learning · Computer Science 2025-06-12 Achim Hekler , Lukas Kuhn , Florian Buettner

In recent years, deep neural networks (DNNs) have shown competitive results in many fields. Despite this success, they often suffer from poor calibration, especially in safety-critical scenarios such as autonomous driving and healthcare,…

Machine Learning · Computer Science 2025-08-13 Jiani Ni , He Zhao , Yibo Yang , Dandan Guo

Deep Learning methods are known to suffer from calibration issues: they typically produce over-confident estimates. These problems are exacerbated in the low data regime. Although the calibration of probabilistic models is well studied,…

Machine Learning · Statistics 2021-11-30 Rahul Rahaman , Alexandre H. Thiery

One of the key technologies for the success of Large Language Models (LLMs) is preference alignment. However, a notable side effect of preference alignment is poor calibration: while the pre-trained models are typically well-calibrated,…

Machine Learning · Computer Science 2025-10-17 Jiancong Xiao , Bojian Hou , Zhanliang Wang , Ruochen Jin , Qi Long , Weijie J. Su , Li Shen

Overconfidence and underconfidence in machine learning classifiers is measured by calibration: the degree to which the probabilities predicted for each class match the accuracy of the classifier on that prediction. How one measures…

Machine Learning · Computer Science 2020-08-11 Jeremy Nixon , Mike Dusenberry , Ghassen Jerfel , Timothy Nguyen , Jeremiah Liu , Linchuan Zhang , Dustin Tran

Equivariant neural networks are designed to respect symmetries through their architecture, boosting generalization and sample efficiency when those symmetries are present in the data distribution. Real-world data, however, often departs…

Machine Learning · Computer Science 2025-12-12 Andrei Manolache , Luiz F. O. Chamon , Mathias Niepert

Deep Neural Networks (DNNs), despite their tremendous success in recent years, could still cast doubts on their predictions due to the intrinsic uncertainty associated with their learning process. Ensemble techniques and post-hoc…

Machine Learning · Computer Science 2022-03-03 Chunwei Ma , Ziyun Huang , Jiayi Xian , Mingchen Gao , Jinhui Xu

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

In spite of the dominant performances of deep neural networks, recent works have shown that they are poorly calibrated, resulting in over-confident predictions. Miscalibration can be exacerbated by overfitting due to the minimization of the…

Computer Vision and Pattern Recognition · Computer Science 2023-07-06 Bingyuan Liu , Ismail Ben Ayed , Adrian Galdran , Jose Dolz

Despite the undeniable progress in visual recognition tasks fueled by deep neural networks, there exists recent evidence showing that these models are poorly calibrated, resulting in over-confident predictions. The standard practices of…

Computer Vision and Pattern Recognition · Computer Science 2024-02-01 Balamurali Murugesan , Bingyuan Liu , Adrian Galdran , Ismail Ben Ayed , Jose Dolz

This paper introduces Fast Calibrated Explanations, a method designed for generating rapid, uncertainty-aware explanations for machine learning models. By incorporating perturbation techniques from ConformaSight - a global explanation…

Machine Learning · Computer Science 2024-10-29 Tuwe Löfström , Fatima Rabia Yapicioglu , Alessandra Stramiglio , Helena Löfström , Fabio Vitali

The proliferation of Deep Neural Networks has resulted in machine learning systems becoming increasingly more present in various real-world applications. Consequently, there is a growing demand for highly reliable models in many domains,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Pedro Conde , Rui L. Lopes , Cristiano Premebida

Delivering meaningful uncertainty estimates is essential for a successful deployment of machine learning models in the clinical practice. A central aspect of uncertainty quantification is the ability of a model to return predictions that…

Computer Vision and Pattern Recognition · Computer Science 2023-03-03 Adrian Galdran , Johan Verjans , Gustavo Carneiro , Miguel A. González Ballester

When several models have similar training scores, classical model selection heuristics follow Occam's razor and advise choosing the ones with least capacity. Yet, modern practice with large neural networks has often led to situations where…

Machine Learning · Computer Science 2022-11-29 Luis Sa-Couto , Jose Miguel Ramos , Andreas Wichert

From the statistical learning perspective, complexity control via explicit regularization is a necessity for improving the generalization of over-parameterized models. However, the impressive generalization performance of neural networks…

Machine Learning · Computer Science 2021-02-09 Taejong Joo , Uijung Chung

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated -- amongst the inputs that receive…

Machine Learning · Statistics 2021-07-14 Shengjia Zhao , Michael P. Kim , Roshni Sahoo , Tengyu Ma , Stefano Ermon

In gradient descent dynamics of neural networks, the top eigenvalue of the loss Hessian (sharpness) displays a variety of robust phenomena throughout training. This includes early time regimes where the sharpness may decrease during early…

Machine Learning · Computer Science 2025-02-17 Dayal Singh Kalra , Tianyu He , Maissam Barkeshli

Confidence calibration - the process to calibrate the output probability distribution of neural networks - is essential for safety-critical applications of such networks. Recent works verify the link between mis-calibration and overfitting.…

Machine Learning · Computer Science 2023-05-24 Linwei Tao , Minjing Dong , Daochang Liu , Changming Sun , Chang Xu
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