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A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the…

Nuclear Theory · Physics 2022-09-28 Pablo Giuliani , Kyle Godbey , Edgard Bonilla , Frederi Viens , Jorge Piekarewicz

Parton Distribution Functions (PDFs) play a central role in describing experimental data at colliders and provide insight into the structure of nucleons. As the LHC enters an era of high-precision measurements, a robust PDF determination…

High Energy Physics - Phenomenology · Physics 2026-01-21 Amedeo Chiefa , Luigi Del Debbio , Richard Kenway

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei

In supervised learning, the output variable to be predicted is often represented as a function, such as a spectrum or probability distribution. Despite its importance, functional output regression remains relatively unexplored. In this…

Machine Learning · Statistics 2025-03-19 Minoru Kusaba , Megumi Iwayama , Ryo Yoshida

Bayesian methods have been very successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model…

Data Analysis, Statistics and Probability · Physics 2015-02-06 Dave Higdon , Jordan D. McDonnell , Nicolas Schunck , Jason Sarich , Stefan M. Wild

This paper introduces a novel uncertainty quantification framework for regression models where the response takes values in a separable metric space, and the predictors are in a Euclidean space. The proposed algorithms can efficiently…

Statistics Theory · Mathematics 2024-05-09 Gábor Lugosi , Marcos Matabuena

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a…

Machine Learning · Statistics 2025-10-20 Frank Shih , Zhenghao Jiang , Faming Liang

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

A robust uncertainty estimate in global analyses of Parton Distribution Functions (PDFs) is essential at the Large Hadron Collider (LHC), especially in view of the high-precision data anticipated by experimentalists in the High-Luminosity…

High Energy Physics - Phenomenology · Physics 2026-04-14 Mark N. Costantini , Luca Mantani , James M. Moore , Maria Ubiali

In the context of Monte Carlo (MC) simulation of particle transport Uncertainty Quantification (UQ) addresses the issue of predicting non statistical errors affecting the physical results, i.e. errors deriving mainly from uncertainties in…

Computational Physics · Physics 2015-06-18 Paolo Saracco , Maria Grazia Pia

Signal processing techniques will lean on blind methods in the near future, where no redundant, resource allocating information will be transmitted through the channel. To achieve a proper decision, however, it is essential to know at least…

Quantum Physics · Physics 2007-05-23 Ferenc Balázs , Sándor Imre

The application of effective field theory (EFT) methods to nuclear systems provides the opportunity to rigorously estimate the uncertainties originating in the nuclear Hamiltonian. Yet this is just one source of uncertainty in the…

Nuclear Theory · Physics 2016-05-13 R. J. Furnstahl , D. R. Phillips , S. Wesolowski

This paper presents a probabilistic approach to represent and quantify model-form uncertainties in the reduced-order modeling of complex systems using operator inference techniques. Such uncertainties can arise in the selection of an…

Machine Learning · Statistics 2024-11-08 Jin Yi Yong , Rudy Geelen , Johann Guilleminot

We use functional, Fr\'echet, derivatives to quantify how thermodynamic outputs of a molecular dynamics (MD) simulation depend on the potential used to compute atomic interactions. Our approach quantifies the sensitivity of the quantities…

Computational Physics · Physics 2020-04-08 Samuel Temple Reeve , Alejandro Strachan

Recurrent neural networks (RNNs) are instrumental in modelling sequential and time-series data. Yet, when using RNNs to inform decision-making, predictions by themselves are not sufficient; we also need estimates of predictive uncertainty.…

Machine Learning · Computer Science 2020-06-30 Ahmed M. Alaa , Mihaela van der Schaar

The topic of deep learning has seen a surge of interest in recent years both within and outside of the field of Statistics. Deep models leverage both nonlinearity and interaction effects to provide superior predictions in many cases when…

Methodology · Statistics 2020-09-18 Paul A. Parker , Scott H. Holan

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Accurate uncertainty quantification is a critical challenge in machine learning. While neural networks are highly versatile and capable of learning complex patterns, they often lack interpretability due to their ``black box'' nature. On the…

Machine Learning · Computer Science 2025-11-18 Pragatheeswaran Vipulananthan , Kamal Premaratne , Dilip Sarkar , Manohar N. Murthi

This paper develops a Hierarchical Bayesian Modeling (HBM) framework for uncertainty quantification of Finite Element (FE) models based on modal information. This framework uses an existing Fast Fourier Transform (FFT) approach to identify…

Applications · Statistics 2022-06-02 Omid Sedehi , Costas Papadimitriou , Lambros S. Katafygiotis

This work presents a framework to inversely quantify uncertainty in the model parameters of the friction model using earthquake data via the Bayesian inference. The forward model is the popular rate- and state- friction (RSF) model along…

Computational Engineering, Finance, and Science · Computer Science 2021-04-23 Saumik Dana , Karthik Reddy Lyathakula