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A reliable uncertainty estimator is a key ingredient in the successful use of machine-learning force fields for predictive calculations. Important considerations are correlation with error, overhead during training and inference, and…

Computational Physics · Physics 2023-06-07 Jesús Carrete , Hadrián Montes-Campos , Ralf Wanzenböck , Esther Heid , Georg K. H. Madsen

Neural network ensembles is a simple yet effective approach for enhancing generalization capabilities. The most common method involves independently training multiple neural networks initialized with different weights and then averaging…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Shunsuke Sakai , Shunsuke Tsuge , Tatsuhito Hasegawa

Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In…

Machine Learning · Statistics 2026-04-08 Courtney Franzen , Farhad Pourkamali-Anaraki

Deep neural networks have shown great success in prediction quality while reliable and robust uncertainty estimation remains a challenge. Predictive uncertainty supplements model predictions and enables improved functionality of downstream…

Machine Learning · Computer Science 2021-12-02 Johanna Rock , Tiago Azevedo , René de Jong , Daniel Ruiz-Muñoz , Partha Maji

Accurate EV power estimation underpins range prediction and energy management, yet practitioners need both point accuracy and trustworthy uncertainty. We propose an anchored-ensemble Long Short-Term Memory (LSTM) with a Student-t likelihood…

Machine Learning · Computer Science 2025-11-11 Ghazal Farhani , Taufiq Rahman , Kieran Humphries

While deep ensembles are widely considered to be the default method for uncertainty quantification in deep learning, their effectiveness for graph-structured data is often simply assumed based on successes in domains like computer vision.…

Machine Learning · Computer Science 2026-05-22 Pedro C. Vieira , Pedro Ribeiro , Viacheslav Borovitskiy

Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them…

Machine Learning · Computer Science 2024-11-19 Nikhil P Ghanathe , Steven J E Wilton

AI inference at the edge is becoming increasingly common for low-latency services. However, edge environments are power- and resource-constrained, and susceptible to failures. Conventional failure resilience approaches, such as cloud…

Brain vessel segmentation of MR scans is a critical step in the diagnosis of cerebrovascular diseases. Due to the fine vessel structure, manual vessel segmentation is time consuming. Therefore, automatic deep learning (DL) based…

Image and Video Processing · Electrical Eng. & Systems 2025-03-31 Omini Rathore , Richard Paul , Abigail Morrison , Hanno Scharr , Elisabeth Pfaehler

Training multiple deep neural networks (DNNs) and averaging their outputs is a simple way to improve the predictive performance. Nevertheless, the multiplied training cost prevents this ensemble method to be practical and efficient. Several…

Machine Learning · Computer Science 2021-10-27 Feng Wang , Guoyizhe Wei , Qiao Liu , Jinxiang Ou , Xian Wei , Hairong Lv

The ensemble of deep neural networks has been shown, both theoretically and empirically, to improve generalization accuracy on the unseen test set. However, the high training cost hinders its efficiency since we need a sufficient number of…

Machine Learning · Computer Science 2021-12-28 Wentao Zhang , Jiawei Jiang , Yingxia Shao , Bin Cui

Ensemble methods are known for enhancing the accuracy and robustness of machine learning models by combining multiple base learners. However, standard approaches like greedy or random ensembling often fall short, as they assume a constant…

Machine Learning · Computer Science 2025-06-24 Sebastian Pineda Arango , Maciej Janowski , Lennart Purucker , Arber Zela , Frank Hutter , Josif Grabocka

Classical problems in computational physics such as data-driven forecasting and signal reconstruction from sparse sensors have recently seen an explosion in deep neural network (DNN) based algorithmic approaches. However, most DNN models do…

Machine Learning · Computer Science 2023-02-21 Romit Maulik , Romain Egele , Krishnan Raghavan , Prasanna Balaprakash

Uncertainty estimation is important for ensuring safety and robustness of AI systems. While most research in the area has focused on un-structured prediction tasks, limited work has investigated general uncertainty estimation approaches for…

Machine Learning · Statistics 2021-02-12 Andrey Malinin , Mark Gales

With the rise of the popularity and usage of neural networks, trustworthy uncertainty estimation is becoming increasingly essential. One of the most prominent uncertainty estimation methods is Deep Ensembles (Lakshminarayanan et al., 2017)…

Machine Learning · Statistics 2023-08-04 Laurens Sluijterman , Eric Cator , Tom Heskes

Deep neural networks are in the limelight of machine learning with their excellent performance in many data-driven applications. However, they can lead to inaccurate predictions when queried in out-of-distribution data points, which can…

Machine Learning · Computer Science 2023-03-01 Yana Stoyanova , Soroush Ghandi , Maryam Tavakol

The spread of a resource-constrained Internet of Things (IoT) environment and embedded devices has put pressure on the real-time detection of anomalies occurring at the edge. This survey presents an overview of machine-learning methods…

Machine Learning · Computer Science 2025-12-23 Abdelmadjid Benmachiche , Khadija Rais , Hamda Slimi

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…

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

Artificial neural networks have advanced due to scaling dimensions, but conventional computing faces inefficiency due to the von Neumann bottleneck. In-memory computation architectures, like memristors, offer promise but face challenges due…