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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

Machine learning methods for the construction of data-driven reduced order model models are used in an increasing variety of engineering domains, especially as a supplement to expensive computational fluid dynamics for design problems. An…

Machine Learning · Statistics 2023-06-28 Stephen Guth , Alireza Mojahed , Themistoklis P. Sapsis

Learning physical properties of a quantum system is essential for the developments of quantum technologies. However, Heisenberg's uncertainty principle constrains the potential knowledge one can simultaneously have about a system in quantum…

Quantum Physics · Physics 2022-05-25 Yunlong Xiao , Naihuan Jing , Bing Yu , Shao-Ming Fei , Xianqing Li-Jost

We perform shell model calculations using a quadrupole-quadrupole interaction (Q.Q) in single a j shell space. We show that this one-parameter interaction is a good predictor of where nuclear isomerism occurs and where it does not occur.…

Nuclear Theory · Physics 2021-08-31 Praveen Srivastava , Larry Zamick

Accelerator-based neutrino oscillation experiments have the potential to revolutionise our understanding of fundamental physics, offering an opportunity to characterise charge-parity violation in the lepton section, to determine the…

High Energy Physics - Experiment · Physics 2023-01-24 S. Dolan

The reliability of the mercury spallation target is mission-critical for the neutron science program of the spallation neutron source at the Oak Ridge National Laboratory. We present an inverse uncertainty quantification (UQ) study using…

Accelerator Physics · Physics 2022-07-07 Majdi I. Radaideh , Lianshan Lin , Hao Jiang , Sarah Cousineau

Neutrino-nucleus elastic scattering ($\nu {\rm A}_{el}$) provides a unique laboratory to study the quantum-mechanical (QM) coherency effects in electroweak interactions. The deviations of the cross-sections from those of completely coherent…

High Energy Physics - Experiment · Physics 2021-05-12 V. Sharma , L. Singh , H. T. Wong , M. Agartioglu , J. -W. Chen , M. Deniz , S. Kerman , H. B Li , C. -P. Liu , K. Saraswat , M. K. Singh , V. Singh

Quantum entanglement offers a unique perspective into the underlying structure of strongly-correlated systems such as atomic nuclei. In this paper, we use quantum information tools to analyze the structure of light and medium-mass…

Estimating uncertainty is at the core of performing scientific measurements in HEP: a measurement is not useful without an estimate of its uncertainty. The goal of uncertainty quantification (UQ) is inextricably linked to the question, "how…

High Energy Physics - Experiment · Physics 2022-11-02 Thomas Y. Chen , Biprateep Dey , Aishik Ghosh , Michael Kagan , Brian Nord , Nesar Ramachandra

Uncertainty quantification (UQ) is crucial in machine learning, yet most (axiomatic) studies of uncertainty measures focus on classification, leaving a gap in regression settings with limited formal justification and evaluations. In this…

Machine Learning · Computer Science 2025-05-19 Christopher Bülte , Yusuf Sale , Timo Löhr , Paul Hofman , Gitta Kutyniok , Eyke Hüllermeier

Uncertainty quantification (UQ) plays a critical role in verifying and validating forward integrated computational materials engineering (ICME) models. Among numerous ICME models, the crystal plasticity finite element method (CPFEM) is a…

Materials Science · Physics 2023-01-27 Anh Tran , Pieterjan Robbe , Tim Wildey , David Montes de Oca Zapiain , Hojun Lim

Parameter identification is crucial in virtual engineering processes, yet determining appropriate system excitations for identifying specific parameters remains challenging. In practice, extensive experimental programs often fail to…

Optimization and Control · Mathematics 2026-05-07 Kevin Schmidt , Nicola Henkelmann , Christoph Mark , Johannes von Keler

Graphical models have demonstrated their exceptional capabilities across numerous applications. However, their performance, confidence, and trustworthiness are often limited by the inherent randomness in data generation and the lack of…

Machine Learning · Computer Science 2026-04-15 Chao Chen , Chenghua Guo , Rui Xu , Jiujiu Chen , Xiangwen Liao , Xi Zhang , Sihong Xie , Hui Xiong , Philip Yu

We consider a multiphysics system with multiple component models coupled together through network coupling interfaces, i.e., a handful of scalars. If each component model contains uncertainties represented by a set of parameters, a…

Numerical Analysis · Mathematics 2014-07-28 Paul G. Constantine , Eric T. Phipps , Timothy M. Wildey

Uncertainty Quantification (UQ) research has primarily focused on closed-book factual question answering (QA), while contextual QA remains unexplored, despite its importance in real-world applications. In this work, we focus on UQ for the…

Uncertainty Quantification (UQ) is a promising approach to improve model reliability, yet quantifying the uncertainty of Large Language Models (LLMs) is non-trivial. In this work, we establish a connection between the uncertainty of LLMs…

Computation and Language · Computer Science 2025-10-16 Mingda Li , Xinyu Li , Weinan Zhang , Longxuan Ma

We present a "module-based hybrid" Uncertainty Quantification (UQ) framework for general nonlinear multi-physics simulation. The proposed methodology, introduced in [\hyperlink{ref1}{1}], supports the independent development of each…

Computational Physics · Physics 2014-10-21 Akshay Mittal , Xiao Chen , Charles Tong , Gianluca Iaccarino

Applications, ranging from tracking molecular motion within cells to analyzing complex animal foraging behavior, require algorithms for associating a collection of spot-like particles in one image with particles contained in another image.…

Quantitative Methods · Quantitative Biology 2013-04-23 Alexander Mont , Aubrey V. Wiegel , Diego Krapf , Christopher P. Calderon

As the sensitivity and uncertainty analysis of nuclear system can provide more confident bounds for the Best-estimate Prediction used to assess the performance and safety of nuclear plant, the uncertainty and sensitivity analysis has been a…

Applied Physics · Physics 2017-04-24 JiaYi Xu , Xu Bo Ma , Fan Lu , Yi Xue Chen

Uncertainty quantification has become increasingly more prominent in nuclear physics over the past several years. In few-body reaction theory, there are four main sources that contribute to the uncertainties in the calculated observables:…

Nuclear Theory · Physics 2020-12-17 A. E. Lovell , F. M. Nunes , M. Catacora-Rios , G. B. King