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Precise estimation of predictive uncertainty in deep neural networks is a critical requirement for reliable decision-making in machine learning and statistical modeling, particularly in the context of medical AI. Conformal Prediction (CP)…

Machine Learning · Computer Science 2024-01-05 Hamed Karimi , Reza Samavi

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

Optimization and Control · Mathematics 2021-05-11 Gustavo Barbosa Libotte , Fran Sérgio Lobato , Francisco Duarte Moura Neto , Gustavo Mendes Platt

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

Cognitive diagnosis models have been widely used in different areas, especially intelligent education, to measure users' proficiency levels on knowledge concepts, based on which users can get personalized instructions. As the measurement is…

Computers and Society · Computer Science 2024-03-25 Fei Wang , Qi Liu , Enhong Chen , Chuanren Liu , Zhenya Huang , Jinze Wu , Shijin Wang

In this paper, we introduce a new technique that combines two popular methods to estimate uncertainty in object detection. Quantifying uncertainty is critical in real-world robotic applications. Traditional detection models can be ambiguous…

Computer Vision and Pattern Recognition · Computer Science 2021-06-30 Zongyao Lyu , Nolan B. Gutierrez , William J. Beksi

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

Machine Learning · Computer Science 2023-12-27 Aik Rui Tan , Shingo Urata , Samuel Goldman , Johannes C. B. Dietschreit , Rafael Gómez-Bombarelli

Charge-exchange reactions are versatile probes for nuclear structure. In particular, when populating isobaric analog states, these reactions are used to study isovector nuclear densities and neutron skins. The quality of the information…

Nuclear Theory · Physics 2024-09-17 A. J. Smith , C. Hebborn , F. M. Nunes , R. G. T. Zegers

The Alpha Optical Model Potential (\aomp \!) is a phenomenological approach used to describe elastic scattering where multiple reaction channels are open. It is one of the most critical inputs for the calculation of thermonuclear reaction…

Computational molecular modeling and visualization has seen significant progress in recent years with sev- eral molecular modeling and visualization software systems in use today. Nevertheless the molecular biology community lacks…

Computational Engineering, Finance, and Science · Computer Science 2016-05-20 Muhibur Rasheed , Nathan Clement , Abhishek Bhowmick , Chandrajit Bajaj

Nucleon-Nucleon potentials are commonplace in nuclear physics and are determined from a finite number of experimental data with limited precision sampling the scattering process. We study the statistical assumptions implicit in the standard…

Nuclear Theory · Physics 2014-07-02 R. Navarro Perez , J. E. Amaro , E. Ruiz Arriola

The reliability of a previous $\alpha$-particle optical-model potential (OMP) on nuclei with mass number 45$\leq$$A$$\leq$209 was proved for emitted $\alpha$ particles as well, for proton--induced reactions on Zn isotopes [Phys. Rev. C {\bf…

Nuclear Theory · Physics 2023-03-23 Marilena Avrigeanu , Vlad Avrigeanu

Simultaneous estimation of multiple parameters in quantum metrological models is complicated by factors relating to the (i) existence of a single probe state allowing for optimal sensitivity for all parameters of interest, (ii) existence of…

Quantum Physics · Physics 2019-02-01 Sammy Ragy , Marcin Jarzyna , Rafal Demkowicz-Dobrzanski

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic interpretation.…

Computation and Language · Computer Science 2025-11-06 Haoyi Song , Ruihan Ji , Naichen Shi , Fan Lai , Raed Al Kontar

A comprehensive uncertainty estimation is vital for the precision program of the LHC. While experimental uncertainties are often described by stochastic processes and well-defined nuisance parameters, theoretical uncertainties lack such a…

High Energy Physics - Phenomenology · Physics 2023-05-08 Aishik Ghosh , Benjamin Nachman , Tilman Plehn , Lily Shire , Tim M. P. Tait , Daniel Whiteson

A statistical method is presented to evaluate the uncertainty bands in the optical nucleus-nucleus potential and in differential cross sections. The starting point is the least square fit of a set of experimental values of elastic…

Nuclear Theory · Physics 2025-07-17 O. C. B. Santos , J. Gómez-Camacho

Scientific machine learning increasingly uses spectral methods to understand physical systems. Current spectral learning approaches provide only point estimates without uncertainty quantification, limiting their use in safety-critical…

Machine Learning · Computer Science 2025-09-17 Mohammad Nooraiepour

Modern Brueckner-Hartree-Fock (BHF) calculations are very successful in describing various properties of symmetric and asymmetric nuclear matter. Within BHF theory a microscopic optical potential (MOP) for nucleon-nucleus scattering is…

Nuclear Theory · Physics 2026-02-24 Miao Qi , Li-Li Chen , Li-Gang Cao , Feng-Shou Zhang , Xin-Le Shang , Wei Zuo , U. Lombardo

We report an evaluation of a semi-empirical quantum chemical method PM7 from the perspective of uncertainty quantification. Specifically, we apply Bound-to-Bound Data Collaboration, an uncertainty quantification framework, to characterize…

Chemical Physics · Physics 2018-09-17 James Oreluk , Zhenyuan Liu , Arun Hegde , Wenyu Li , Andrew Packard , Michael Frenklach , Dmitry Zubarev

Estimating how uncertain an AI system is in its predictions is important to improve the safety of such systems. Uncertainty in predictive can result from uncertainty in model parameters, irreducible data uncertainty and uncertainty due to…

Machine Learning · Statistics 2018-12-03 Andrey Malinin , Mark Gales

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

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