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Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is challenging to quantify the uncertainty of a computational…

Chemical Physics · Physics 2017-04-21 Gregor N. Simm , Jonny Proppe , Markus Reiher

This paper proposes a new method to propagate uncertainties undergoing nonlinear dynamics using the Koopman Operator (KO). Probability density functions are propagated directly using the Koopman approximation of the solution flow of the…

Information Theory · Computer Science 2024-07-30 Simone Servadio , Giovanni Lavezzi , Christian Hofmann , Di Wu , Richard Linares

Echocardiography plays a fundamental role in the extraction of important clinical parameters (e.g. left ventricular volume and ejection fraction) required to determine the presence and severity of heart-related conditions. When deploying…

Computer Vision and Pattern Recognition · Computer Science 2025-02-19 Thierry Judge , Olivier Bernard , Woo-Jin Cho Kim , Alberto Gomez , Arian Beqiri , Agisilaos Chartsias , Pierre-Marc Jodoin

Missing data is a common problem in clinical data collection, which causes difficulty in the statistical analysis of such data. In this article, we consider the problem under a framework of a semiparametric partially linear model when…

Methodology · Statistics 2022-06-13 Zishu Zhan , Xiangjie Li , Jingxiao Zhang

Probabilistic graphical models are a fundamental tool in probabilistic modeling, machine learning and artificial intelligence. They allow us to integrate in a natural way expert knowledge, physical modeling, heterogeneous and correlated…

Machine Learning · Statistics 2021-07-20 Panagiota Birmpa , Jinchao Feng , Markos A. Katsoulakis , Luc Rey-Bellet

Cosmological experiments often employ Bayesian workflows to derive constraints on cosmological and astrophysical parameters from their data. It has been shown that these constraints can be combined across different probes such as Planck and…

Cosmology and Nongalactic Astrophysics · Physics 2022-11-28 Harry Bevins , Will Handley , Pablo Lemos , Peter Sims , Eloy de Lera Acedo , Anastasia Fialkov

Sphere packings are essential to the development of physical models for powders, composite materials, and the atomic structure of the liquid state. There is a strong scientific need to be able to assess the fit of packing models to data,…

Methodology · Statistics 2009-10-31 Jeffrey Picka

The Kaplan--Meier (KM) estimator, which provides a nonparametric estimate of a survival function for time-to-event data, has wide application in clinical studies, engineering, economics and other fields. The theoretical properties of the KM…

Methodology · Statistics 2020-11-23 Jiaqi Gu , Yiwei Fan , Guosheng Yin

During the last decade, a large number of different numerical methods have been proposed to tackle the automatic identification and quantification in {\gamma}-ray spectrometry. However, the lack of common benchmarks, including datasets,…

Machine Learning · Computer Science 2025-08-13 Dinh Triem Phan , Jérôme Bobin , Cheick Thiam , Christophe Bobin

Quantile regression provides a consistent approach to investigating the association between covariates and various aspects of the distribution of the response beyond the mean. When the regression covariates are measured with errors,…

Methodology · Statistics 2023-02-09 Roger S. Zoh , Annie Yu , Carmen Tekwe

The use of high-dimensional regression techniques from machine learning has significantly improved the quantitative accuracy of interatomic potentials. Atomic simulations can now plausibly target quantitative predictions in a variety of…

Materials Science · Physics 2025-03-04 Danny Perez , Aparna P. A. Subramanyam , Ivan Maliyov , Thomas D. Swinburne

In a clinical trial with a survival outcome, an interim analysis is often performed to allow for early stopping for efficacy. If the interim analysis is early in the trial, one might conclude that a new treatment is more effective (compared…

Methodology · Statistics 2023-05-09 Marianne A Jonker , Steven Teerenstra

Due to lack of scientific understanding, some mechanisms may be missing in mathematical modeling of complex phenomena in science and engineering. These mathematical models thus contain some uncertainties such as uncertain parameters. One…

Probability · Mathematics 2012-04-05 Jinqiao Duan , Ting Gao , Guowei He

Statistical hypothesis testing and effect size measurement are routine parts of quantitative research. Advancements in computer processing power have greatly improved the capability of statistical inference through the availability of…

Methodology · Statistics 2024-01-18 Michael J. Crosse , John J. Foxe , Sophie Molholm

This study introduces an approach to estimate the uncertainty in bibliometric indicator values that is caused by data errors. This approach utilizes Bayesian regression models, estimated from empirical data samples, which are used to…

Digital Libraries · Computer Science 2024-12-11 Paul Donner

The present study extends the analysis of turbulence-affected beam statistics through a manifold-based statistical framework that unifies probabilistic modeling with geometric interpretation. The spatial intensity distributions, distorted…

Optics · Physics 2025-10-22 Shouvik Sadhukhan , C. S. Narayanamurthy

Proper scoring rules evaluate the quality of probabilistic predictions, playing an essential role in the pursuit of accurate and well-calibrated models. Every proper score decomposes into two fundamental components -- proper calibration…

Machine Learning · Computer Science 2023-12-15 Teodora Popordanoska , Sebastian G. Gruber , Aleksei Tiulpin , Florian Buettner , Matthew B. Blaschko

Continuous treatments (e.g., doses) arise often in practice, but many available causal effect estimators are limited by either requiring parametric models for the effect curve, or by not allowing doubly robust covariate adjustment. We…

Methodology · Statistics 2017-04-21 Edward H. Kennedy , Zongming Ma , Matthew D. McHugh , Dylan S. Small

Ability to quantify and predict progression of a disease is fundamental for selecting an appropriate treatment. Many clinical metrics cannot be acquired frequently either because of their cost (e.g. MRI, gait analysis) or because they are…

Machine Learning · Statistics 2019-05-28 Guanyang Wang , Yumeng Zhang , Yong Deng , Xuxin Huang , Łukasz Kidziński

Predictive uncertainty estimation remains a challenging problem precluding the use of deep neural networks as subsystems within safety-critical applications. Aleatoric uncertainty is a component of predictive uncertainty that cannot be…

Machine Learning · Computer Science 2023-12-12 Angel Daruna , Yunye Gong , Abhinav Rajvanshi , Han-Pang Chiu , Yi Yao