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Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying extrapolation regimes and enabling uncertainty-aware workflows…

Machine Learning · Computer Science 2026-04-06 Zhongyao Wang , Taoyong Cui , Jiawen Zou , Shufei Zhang , Bo Yan , Wanli Ouyang , Weimin Tan , Mao Su

In this paper, we propose Evidential Conformal Prediction (ECP) method for image classifiers to generate the conformal prediction sets. Our method is designed based on a non-conformity score function that has its roots in Evidential Deep…

Machine Learning · Computer Science 2024-07-31 Hamed Karimi , Reza Samavi

Accurate quantification of both aleatoric and epistemic uncertainties is essential when deploying Graph Neural Networks (GNNs) in high-stakes applications such as drug discovery and financial fraud detection, where reliable predictions are…

Machine Learning · Computer Science 2025-03-12 Linlin Yu , Kangshuo Li , Pritom Kumar Saha , Yifei Lou , Feng Chen

Evidential Deep Learning (EDL) is a popular framework for uncertainty-aware classification that models predictive uncertainty via Dirichlet distributions parameterized by neural networks. Despite its popularity, its theoretical foundations…

Machine Learning · Statistics 2026-02-03 Pietro Carlotti , Nevena Gligić , Arya Farahi

Uncertainty quantification of deep neural networks has become an active field of research and plays a crucial role in various downstream tasks such as active learning. Recent advances in evidential deep learning shed light on the direct…

Machine Learning · Computer Science 2023-11-21 Ruxiao Duan , Brian Caffo , Harrison X. Bai , Haris I. Sair , Craig Jones

Semi-supervised classification based on active learning has made significant progress, but the existing methods often ignore the uncertainty estimation (or reliability) of the prediction results during the learning process, which makes it…

Machine Learning · Computer Science 2025-05-28 Shenkai Zhao , Xinao Zhang , Lipeng Pan , Xiaobin Xu , Danilo Pelusi

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques…

Machine Learning · Computer Science 2023-03-08 Dennis Ulmer , Christian Hardmeier , Jes Frellsen

Despite recent advances in the accuracy of brain tumor segmentation, the results still suffer from low reliability and robustness. Uncertainty estimation is an efficient solution to this problem, as it provides a measure of confidence in…

Image and Video Processing · Electrical Eng. & Systems 2022-08-15 Hao Li , Yang Nan , Javier Del Ser , Guang Yang

In this work, we examine the effectiveness of an uncertainty quantification framework known as Evidential Deep Learning applied in the context of biomedical image segmentation. This class of models involves assigning Dirichlet distributions…

Image and Video Processing · Electrical Eng. & Systems 2025-04-24 Hai Siong Tan , Kuancheng Wang , Rafe Mcbeth

A probabilistic classifier with reliable predictive uncertainties i) fits successfully to the target domain data, ii) provides calibrated class probabilities in difficult regions of the target domain (e.g.\ class overlap), and iii)…

Machine Learning · Computer Science 2022-03-09 Melih Kandemir , Abdullah Akgül , Manuel Haussmann , Gozde Unal

Uncertainty quantification (UQ) is crucial for deploying machine learning models in high-stakes applications, where overconfident predictions can lead to serious consequences. An effective UQ method must balance computational efficiency…

Machine Learning · Computer Science 2026-02-23 Taeseong Yoon , Heeyoung Kim

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

Characterizing uncertainty is a common issue in nuclear measurement and has important implications for reliable physical discovery. Traditional methods are either insufficient to cope with the heterogeneous nature of uncertainty or…

Data Analysis, Statistics and Probability · Physics 2022-03-01 Pengcheng Ai , Zhi Deng , Yi Wang , Chendi Shen

Deterministic neural nets have been shown to learn effective predictors on a wide range of machine learning problems. However, as the standard approach is to train the network to minimize a prediction loss, the resultant model remains…

Machine Learning · Computer Science 2018-11-02 Murat Sensoy , Lance Kaplan , Melih Kandemir

Evidential deep learning (EDL) models, based on Subjective Logic, introduce a principled and computationally efficient way to make deterministic neural networks uncertainty-aware. The resulting evidential models can quantify fine-grained…

Machine Learning · Computer Science 2026-01-01 Deep Shankar Pandey , Hyomin Choi , Qi Yu

Accurate Remaining Useful Life (RUL) prediction coupled with uncertainty quantification remains a critical challenge in aerospace prognostics. This research introduces a novel uncertainty-aware deep learning framework that learns aleatoric…

Machine Learning · Computer Science 2025-11-27 Krishang Sharma

Deterministic neural networks (NNs) are increasingly being deployed in safety critical domains, where calibrated, robust, and efficient measures of uncertainty are crucial. In this paper, we propose a novel method for training non-Bayesian…

Machine Learning · Computer Science 2020-11-25 Alexander Amini , Wilko Schwarting , Ava Soleimany , Daniela Rus

Evidential Deep Learning (EDL) is an emerging method for uncertainty estimation that provides reliable predictive uncertainty in a single forward pass, attracting significant attention. Grounded in subjective logic, EDL derives Dirichlet…

Machine Learning · Computer Science 2024-10-02 Mengyuan Chen , Junyu Gao , Changsheng Xu

Deep learning is advancing EEG processing for automated epileptic seizure detection and onset zone localization, yet its performance relies heavily on high-quality annotated training data. However, scalp EEG is susceptible to high noise…

Signal Processing · Electrical Eng. & Systems 2026-01-06 Deeksha M. Shama , Archana Venkataraman

Robust quantification of predictive uncertainty is critical for understanding factors that drive weather and climate outcomes. Ensembles provide predictive uncertainty estimates and can be decomposed physically, but both physics and machine…