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As machine learning techniques become widely adopted in new domains, especially in safety-critical systems such as autonomous vehicles, it is crucial to provide accurate output uncertainty estimation. As a result, many approaches have been…

Machine Learning · Computer Science 2021-12-28 Sooyong Jang , Radoslav Ivanov , Insup Lee , James Weimer

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

In this paper, we present results on improving out-of-domain weather prediction and uncertainty estimation as part of the \texttt{Shifts Challenge on Robustness and Uncertainty under Real-World Distributional Shift} challenge. We find that…

Machine Learning · Computer Science 2024-01-10 Sankalp Gilda , Neel Bhandari , Wendy Mak , Andrea Panizza

Deep neural network(DNN) based classifiers do extremely well in discriminating between observations, resulting in higher ROC AUC and accuracy metrics, but their outputs are often miscalibrated with respect to true event likelihoods.…

Machine Learning · Computer Science 2025-12-30 Dhruv Nigam

Neural networks for automated image segmentation are typically trained to achieve maximum accuracy, while less attention has been given to the calibration of their confidence scores. However, well-calibrated confidence scores provide…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Axel-Jan Rousseau , Thijs Becker , Jeroen Bertels , Matthew B. Blaschko , Dirk Valkenborg

A machine learning model is calibrated if its predicted probability for an outcome matches the observed frequency for that outcome conditional on the model prediction. This property has become increasingly important as the impact of machine…

Machine Learning · Computer Science 2025-02-25 Muthu Chidambaram , Rong Ge

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…

Uncertainty quantification is an important prerequisite for the deployment of deep learning models in safety-critical areas. Yet, this hinges on the uncertainty estimates being useful to the extent the prediction intervals are…

Machine Learning · Computer Science 2025-07-29 Dharmesh Tailor , Alvaro H. C. Correia , Eric Nalisnick , Christos Louizos

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

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

Deep neural networks (DNN) are prone to miscalibrated predictions, often exhibiting a mismatch between the predicted output and the associated confidence scores. Contemporary model calibration techniques mitigate the problem of…

Machine Learning · Computer Science 2022-12-21 Ramya Hebbalaguppe , Rishabh Patra , Tirtharaj Dash , Gautam Shroff , Lovekesh Vig

Modern convolutional neural networks (CNNs) are known to be overconfident in terms of their calibration on unseen input data. That is to say, they are more confident than they are accurate. This is undesirable if the probabilities predicted…

Machine Learning · Computer Science 2021-12-03 Guoxuan Xia , Sangwon Ha , Tiago Azevedo , Partha Maji

Post-training improves large language models (LLMs) but often worsens confidence calibration, leading to systematic overconfidence. Recent unsupervised post-hoc methods for post-trained LMs (PoLMs) mitigate this by aligning PoLM confidence…

Machine Learning · Computer Science 2026-01-09 Beier Luo , Cheng Wang , Hongxin Wei , Sharon Li , Xuefeng Du

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

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

Even as we engineer LLMs for alignment and safety, they often uncover biases from pre-training data's statistical regularities (from disproportionate co-occurrences to stereotypical associations mirroring human cognitive biases). This leads…

Computation and Language · Computer Science 2025-08-13 Ruixi Lin , Yang You

Combining machine learning and constrained optimization, Predict+Optimize tackles optimization problems containing parameters that are unknown at the time of solving. Prior works focus on cases with unknowns only in the objectives. A new…

Machine Learning · Computer Science 2023-03-14 Xinyi Hu , Jasper C. H. Lee , Jimmy H. M. Lee

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

Although deep neural networks (DNNs) achieve high predictive accuracy, their confidence estimates are often unreliable, potentially compromising user trust in their decisions. This has motivated research on calibrated models, where…

Machine Learning · Computer Science 2026-05-25 Ramya Hebbalaguppe , Ajay Shastry , Soumya Suvra Ghosal , Chetan Arora

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