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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

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

Calibration of sensors is a fundamental step to validate their operation. This can be a demanding task, as it relies on acquiring a detailed modelling of the device, aggravated by its possible dependence upon multiple parameters. Machine…

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

Neural coreference resolution models trained on one dataset may not transfer to new, low-resource domains. Active learning mitigates this problem by sampling a small subset of data for annotators to label. While active learning is…

Computation and Language · Computer Science 2022-03-30 Michelle Yuan , Patrick Xia , Chandler May , Benjamin Van Durme , Jordan Boyd-Graber

Confidence calibration -- the problem of predicting probability estimates representative of the true correctness likelihood -- is important for classification models in many applications. We discover that modern neural networks, unlike…

Machine Learning · Computer Science 2017-08-04 Chuan Guo , Geoff Pleiss , Yu Sun , Kilian Q. Weinberger

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

Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

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

Active learning is a unique abstraction of machine learning techniques where the model/algorithm could guide users for annotation of a set of data points that would be beneficial to the model, unlike passive machine learning. The primary…

Computer Vision and Pattern Recognition · Computer Science 2021-01-08 Vishwesh Nath , Dong Yang , Bennett A. Landman , Daguang Xu , Holger R. Roth

For classification models based on neural networks, the maximum predicted class probability is often used as a confidence score. This score rarely predicts well the probability of making a correct prediction and requires a post-processing…

Machine Learning · Computer Science 2024-11-07 Adrien LeCoz , Stéphane Herbin , Faouzi Adjed

Active learning promises to provide an optimal training sample selection procedure in the construction of machine learning models. It often relies on minimizing the model's variance, which is assumed to decrease the prediction error. Still,…

Chemical Physics · Physics 2025-11-26 Vivin Vinod , Peter Zaspel

Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Inverse rendering aims to reconstruct the scene properties of objects solely from multiview images. However, it is an ill-posed problem prone to producing ambiguous estimations deviating from physically accurate representations. In this…

Computer Vision and Pattern Recognition · Computer Science 2024-04-22 Georgios Kouros , Minye Wu , Sushruth Nagesh , Xianling Zhang , Tinne Tuytelaars

Active learning is commonly used to train label-efficient models by adaptively selecting the most informative queries. However, most active learning strategies are designed to either learn a representation of the data (e.g., embedding or…

Machine Learning · Computer Science 2022-02-07 Namrata Nadagouda , Austin Xu , Mark A. Davenport

Accurately predicting infrared (IR) spectra in computational chemistry using ab initio methods remains a challenge. Current approaches often rely on an empirical approach or on tedious anharmonic calculations, mainly adapted to semi-rigid…

Chemical Physics · Physics 2024-09-05 Saleh Abdul Al , Abdul-Rahman Allouche

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

Infrared (IR) spectroscopy is a pivotal analytical tool as it provides real-time molecular insight into material structures and enables the observation of reaction intermediates in situ. However, interpreting IR spectra often requires…

Chemical Physics · Physics 2025-06-17 Nitik Bhatia , Patrick Rinke , Ondrej Krejci

In the recent past, there have been many efforts to accelerate adaptive beamforming for ultrasound (US) imaging using neural networks (NNs). However, most of these efforts are based on static models, i.e., they are trained to learn a single…

Signal Processing · Electrical Eng. & Systems 2022-08-02 Mayank Katare , Mahesh Raveendranatha Panicker , A N Madhavanunni , Gayathri Malamal

This article presents an innovative study in exploring, evaluating, and implementing deep learning architectures for the calibration of multi-modal sensor systems. The focus behind this is to leverage the use of sensor fusion to achieve…

Computer Vision and Pattern Recognition · Computer Science 2024-09-24 Venkat Karramreddy , Liam Mitchell