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Recent research has focused on designing neural samplers that amortize the process of sampling from unnormalized densities. However, despite significant advancements, they still fall short of the state-of-the-art MCMC approach, Parallel…

Proper losses such as cross-entropy incentivize classifiers to produce class probabilities that are well-calibrated on the training data. Due to the generalization gap, these classifiers tend to become overconfident on the test data,…

Machine Learning · Computer Science 2025-08-27 Viacheslav Komisarenko , Meelis Kull

Generative models of complex systems often require post-hoc parameter adjustments to produce useful outputs. For example, energy-based models for protein design are sampled at an artificially low ''temperature'' to generate novel,…

Quantitative Methods · Quantitative Biology 2025-12-11 Peter W Fields , Vudtiwat Ngampruetikorn , David J Schwab , Stephanie E Palmer

The class-wise training losses often diverge as a result of the various levels of intra-class and inter-class appearance variation, and we find that the diverging class-wise training losses cause the uncalibrated prediction with its…

Machine Learning · Computer Science 2023-06-21 Seungjin Jung , Seungmo Seo , Yonghyun Jeong , Jongwon Choi

Data uncertainty is commonly observed in the images for face recognition (FR). However, deep learning algorithms often make predictions with high confidence even for uncertain or irrelevant inputs. Intuitively, FR algorithms can benefit…

Computer Vision and Pattern Recognition · Computer Science 2022-12-05 Lei Shang , Mouxiao Huang , Wu Shi , Yuchen Liu , Yang Liu , Fei Wang , Baigui Sun , Xuansong Xie , Yu Qiao

Large Language Models (LLMs) that can express interpretable and calibrated uncertainty are crucial in high-stakes domains. While methods to compute uncertainty post-hoc exist, they are often sampling-based and therefore computationally…

Machine Learning · Computer Science 2026-03-09 Azza Jenane , Nassim Walha , Lukas Kuhn , Florian Buettner

Probability calibration for deep models is highly desirable in safety-critical applications such as medical imaging. It makes output probabilities of deep networks interpretable, by aligning prediction probability with the actual accuracy…

Computer Vision and Pattern Recognition · Computer Science 2022-09-16 Cheng Ouyang , Shuo Wang , Chen Chen , Zeju Li , Wenjia Bai , Bernhard Kainz , Daniel Rueckert

Deep learning has revolutionized modern data science. However, how to accurately quantify the uncertainty of predictions from large-scale deep neural networks (DNNs) remains an unresolved issue. To address this issue, we introduce a novel…

Machine Learning · Statistics 2025-08-05 Yan Sun , Faming Liang

We propose a post-hoc, computationally lightweight method to quantify predictive uncertainty in semantic image segmentation. Our approach uses conformal prediction to generate statistically valid prediction sets that are guaranteed to…

Computer Vision and Pattern Recognition · Computer Science 2024-05-09 Luca Mossina , Joseba Dalmau , Léo andéol

Post-training of large language models is essential for adapting pre-trained language models (PLMs) to align with human preferences and downstream tasks. While PLMs typically exhibit well-calibrated confidence, post-trained language models…

Machine Learning · Computer Science 2025-11-26 Beier Luo , Shuoyuan Wang , Sharon Li , Hongxin Wei

Uncertainty quantification is critical in safety-sensitive applications but is often omitted from off-the-shelf neural networks due to adverse effects on predictive performance. Retrofitting uncertainty estimates post-hoc typically requires…

Machine Learning · Computer Science 2025-06-03 Lennart Bramlage , Cristóbal Curio

Many applications of classification methods not only require high accuracy but also reliable estimation of predictive uncertainty. However, while many current classification frameworks, in particular deep neural networks, achieve high…

Machine Learning · Computer Science 2020-02-28 Jonathan Wenger , Hedvig Kjellström , Rudolph Triebel

For semantic segmentation, label probabilities are often uncalibrated as they are typically only the by-product of a segmentation task. Intersection over Union (IoU) and Dice score are often used as criteria for segmentation success, while…

Computer Vision and Pattern Recognition · Computer Science 2021-07-28 Zhipeng Ding , Xu Han , Peirong Liu , Marc Niethammer

Deep neural networks (DNNs) have achieved significant success across various tasks, but ensuring reliable uncertainty estimates, known as model calibration, is crucial for their safe and effective deployment. Modern DNNs often suffer from…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Linwei Tao , Minjing Dong , Chang Xu

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

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

With model trustworthiness being crucial for sensitive real-world applications, practitioners are putting more and more focus on improving the uncertainty calibration of deep neural networks. Calibration errors are designed to quantify the…

Machine Learning · Computer Science 2024-03-14 Sebastian G. Gruber , Florian Buettner

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the…

Machine Learning · Computer Science 2023-06-08 Victor Dheur , Souhaib Ben Taieb

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…