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Large language models (LLMs) often make accurate next token predictions but their confidence in these predictions can be poorly calibrated: high-confidence predictions are frequently wrong, and low-confidence predictions may be correct.…

Machine Learning · Computer Science 2026-02-03 Nisarg Parikh , Ananya Sai , Pannaga Shivaswamy , Kunjal Panchal , Andrew Lan

With the widespread success of deep neural networks in science and technology, it is becoming increasingly important to quantify the uncertainty of the predictions produced by deep learning. In this paper, we introduce a new method that…

Machine Learning · Computer Science 2019-08-15 Qingyang Wu , He Li , Lexin Li , Zhou Yu

In recent years, multicalibration has emerged as a desirable learning objective for ensuring that a predictor is calibrated across a rich collection of overlapping subpopulations. Existing approaches typically achieve multicalibration by…

Machine Learning · Computer Science 2025-05-26 Hongyi Henry Jin , Zijun Ding , Dung Daniel Ngo , Zhiwei Steven Wu

Conformal prediction (CP) is a promising uncertainty quantification framework which works as a wrapper around a black-box classifier to construct prediction sets (i.e., subset of candidate classes) with provable guarantees. However,…

Machine Learning · Computer Science 2025-06-10 Yuanjie Shi , Hooman Shahrokhi , Xuesong Jia , Xiongzhi Chen , Janardhan Rao Doppa , Yan Yan

Since neural classifiers are known to be sensitive to adversarial perturbations that alter their accuracy, \textit{certification methods} have been developed to provide provable guarantees on the insensitivity of their predictions to such…

Machine Learning · Computer Science 2025-02-26 Cornelius Emde , Francesco Pinto , Thomas Lukasiewicz , Philip H. S. Torr , Adel Bibi

Modern neural networks have found to be miscalibrated in terms of confidence calibration, i.e., their predicted confidence scores do not reflect the observed accuracy or precision. Recent work has introduced methods for post-hoc confidence…

Computer Vision and Pattern Recognition · Computer Science 2021-09-22 Fabian Küppers , Jan Kronenberger , Jonas Schneider , Anselm Haselhoff

Trained DNN models are increasingly adopted as integral parts of software systems, but they often perform deficiently in the field. A particularly damaging problem is that DNN models often give false predictions with high confidence, due to…

Machine Learning · Computer Science 2020-09-16 Zenan Li , Xiaoxing Ma , Chang Xu , Jingwei Xu , Chun Cao , Jian Lü

Recent advances in deep learning have achieved impressive gains in classification accuracy on a variety of types of data, including images and text. Despite these gains, however, concerns have been raised about the calibration, robustness,…

Machine Learning · Computer Science 2018-11-20 Dallas Card , Michael Zhang , Noah A. Smith

It's better to say "I can't answer" than to answer incorrectly. This selective prediction ability is crucial for NLP systems to be reliably deployed in real-world applications. Prior work has shown that existing selective prediction…

Computation and Language · Computer Science 2022-04-08 Neeraj Varshney , Swaroop Mishra , Chitta Baral

The assessment of binary classifier performance traditionally centers on discriminative ability using metrics, such as accuracy. However, these metrics often disregard the model's inherent uncertainty, especially when dealing with sensitive…

Machine Learning · Computer Science 2024-02-13 Agathe Fernandes Machado , Arthur Charpentier , Emmanuel Flachaire , Ewen Gallic , François Hu

In an increasing number of applications designers have access to multiple computer models which typically have different levels of fidelity and cost. Traditionally, designers calibrate these models one at a time against some high-fidelity…

Machine Learning · Computer Science 2025-06-02 Jonathan Tammer Eweis-Labolle , Tyler Johnson , Xiangyu Sun , Ramin Bostanabad

Uncertainty estimates must be calibrated (i.e., accurate) and sharp (i.e., informative) in order to be useful. This has motivated a variety of methods for recalibration, which use held-out data to turn an uncalibrated model into a…

Machine Learning · Computer Science 2022-07-06 Charles Marx , Shengjia Zhao , Willie Neiswanger , 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

Calibrating neural networks is of utmost importance when employing them in safety-critical applications where the downstream decision making depends on the predicted probabilities. Measuring calibration error amounts to comparing two…

Machine Learning · Computer Science 2021-12-30 Kartik Gupta , Amir Rahimi , Thalaiyasingam Ajanthan , Thomas Mensink , Cristian Sminchisescu , Richard Hartley

A typical desideratum for quantifying the uncertainty from a classification model as a prediction set is class-conditional singleton set calibration. That is, such sets should map to the output of well-calibrated selective classifiers,…

Machine Learning · Computer Science 2022-12-02 Allen Schmaltz , Danielle Rasooly

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

A probabilistic model is said to be calibrated if its predicted probabilities match the corresponding empirical frequencies. Calibration is important for uncertainty quantification and decision making in safety-critical applications. While…

Machine Learning · Computer Science 2020-07-01 Anusri Pampari , Stefano Ermon

Probabilistic solvers for ordinary differential equations assign a posterior measure to the solution of an initial value problem. The joint covariance of this distribution provides an estimate of the (global) approximation error. The…

Numerical Analysis · Mathematics 2021-02-23 Nathanael Bosch , Philipp Hennig , Filip Tronarp

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

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
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