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This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect…

Machine Learning · Computer Science 2023-11-27 Sunwoong Yang , Kwanjung Yee

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

Machine learning classifiers are probabilistic in nature, and thus inevitably involve uncertainty. Predicting the probability of a specific input to be correct is called uncertainty (or confidence) estimation and is crucial for risk…

Machine Learning · Computer Science 2023-01-11 Gabriella Chouraqui , Liron Cohen , Gil Einziger , Liel Leman

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

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…

Post-hoc multi-class calibration is a common approach for providing high-quality confidence estimates of deep neural network predictions. Recent work has shown that widely used scaling methods underestimate their calibration error, while…

Machine Learning · Computer Science 2022-11-28 Kanil Patel , William Beluch , Bin Yang , Michael Pfeiffer , Dan Zhang

Despite Graph Neural Networks (GNNs) have achieved remarkable accuracy, whether the results are trustworthy is still unexplored. Previous studies suggest that many modern neural networks are over-confident on the predictions, however,…

Machine Learning · Computer Science 2022-01-05 Xiao Wang , Hongrui Liu , Chuan Shi , Cheng Yang

Predicting calibrated confidence scores for multi-class deep networks is important for avoiding rare but costly mistakes. A common approach is to learn a post-hoc calibration function that transforms the output of the original network into…

Machine Learning · Computer Science 2020-10-26 Amir Rahimi , Amirreza Shaban , Ching-An Cheng , Richard Hartley , Byron Boots

Dynamic neural networks are a recent technique that promises a remedy for the increasing size of modern deep learning models by dynamically adapting their computational cost to the difficulty of the inputs. In this way, the model can adjust…

Machine Learning · Computer Science 2023-12-11 Lassi Meronen , Martin Trapp , Andrea Pilzer , Le Yang , Arno Solin

Nonparametric estimation using uniform-width binning is a standard approach for evaluating the calibration performance of machine learning models. However, existing theoretical analyses of the bias induced by binning are limited to binary…

Machine Learning · Computer Science 2025-07-14 Masahiro Fujisawa , Futoshi Futami

In this paper, we study the post-hoc calibration of modern neural networks, a problem that has drawn a lot of attention in recent years. Many calibration methods of varying complexity have been proposed for the task, but there is no…

Machine Learning · Computer Science 2022-08-02 Sergio A. Balanya , Juan Maroñas , Daniel Ramos

This paper provides both an introduction to and a detailed overview of the principles and practice of classifier calibration. A well-calibrated classifier correctly quantifies the level of uncertainty or confidence associated with its…

Machine Learning · Computer Science 2023-06-16 Telmo Silva Filho , Hao Song , Miquel Perello-Nieto , Raul Santos-Rodriguez , Meelis Kull , Peter Flach

Code language models are increasingly adopted for both understanding and generative tasks. Despite their success, these models frequently produce overconfident incorrect predictions and underconfident correct predictions, undermining their…

Software Engineering · Computer Science 2026-05-20 Ravishka Rathnasuriya , Wei Yang

It is known that neural networks have the problem of being over-confident when directly using the output label distribution to generate uncertainty measures. Existing methods mainly resolve this issue by retraining the entire model to…

Machine Learning · Computer Science 2022-12-15 Maohao Shen , Yuheng Bu , Prasanna Sattigeri , Soumya Ghosh , Subhro Das , Gregory Wornell

As machine learning models are increasingly deployed in high-stakes environments, ensuring both probabilistic reliability and prediction stability has become critical. This paper examines the interplay between classification calibration and…

Machine Learning · Computer Science 2026-03-17 Mustafa Cavus

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

Bayesian decision theory provides an elegant framework for acting optimally under uncertainty when tractable posterior distributions are available. Modern Bayesian models, however, typically involve intractable posteriors that are…

Machine Learning · Computer Science 2021-06-15 Meet P. Vadera , Soumya Ghosh , Kenney Ng , Benjamin M. Marlin

We introduce a framework for calibrating machine learning models so that their predictions satisfy explicit, finite-sample statistical guarantees. Our calibration algorithms work with any underlying model and (unknown) data-generating…

Machine Learning · Computer Science 2022-10-03 Anastasios N. Angelopoulos , Stephen Bates , Emmanuel J. Candès , Michael I. Jordan , Lihua Lei

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

We propose an evaluation framework for class probability estimates (CPEs) in the presence of label uncertainty, which is commonly observed as diagnosis disagreement between experts in the medical domain. We also formalize evaluation metrics…

Machine Learning · Statistics 2021-03-23 Takahiro Mimori , Keiko Sasada , Hirotaka Matsui , Issei Sato