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Global sensitivity metrics are essential tools for assessing parameter importance in complex models, particularly when precise information about parameter values is unavailable. In many cases, such metrics are used to provide parameter…

Statistics Theory · Mathematics 2025-11-19 Huiyan Zou , Allison L. Lewis

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

A substantial fraction of systematic uncertainties in neutrino oscillation experiments stems from the lack of precision in modeling the nucleus when describing the neutrino-nucleus interactions. The Spectral Function (SF) model features a…

High Energy Physics - Phenomenology · Physics 2022-08-29 Jaafar Chakrani , Margherita Buizza Avanzini , Stephen Dolan

Accurate determination of the electron energy probability function (EEPF) is vital for understanding electron kinetics and energy distributions in plasmas. However, interpreting Langmuir probe current-voltage (I-V) characteristics is often…

Plasma Physics · Physics 2025-04-01 June Young Kim

Data-based mathematical modeling of biochemical reaction networks, e.g. by nonlinear ordinary differential equation (ODE) models, has been successfully applied. In this context, parameter estimation and uncertainty analysis is a major task…

Molecular Networks · Quantitative Biology 2014-09-02 Christian Tönsing , Jens Timmer , Clemens Kreutz

We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train…

Computational Physics · Physics 2019-02-05 Michele Ceriotti , Michael J. Willatt , Gábor Csányi

Parameters of nuclear energy-density-functionals (EDFs) are always derived by an optimization to experimental data. For the minima of appropriately defined penalty functions, a statistical sensitivity analysis provides the uncertainties of…

Nuclear Theory · Physics 2013-05-14 Y. Gao , J. Dobaczewski , M. Kortelainen , J. Toivanen , D. Tarpanov

The stability of model parameters for a class of relativistic energy density functionals, characterized by contact (point-coupling) effective inter-nucleon interactions and density-dependent coupling parameters, is analyzed using methods of…

Nuclear Theory · Physics 2015-06-22 Tamara Niksic , Nils Paar , Paul-Gerhard Reinhard , Dario Vretenar

Deep neural networks (DNNs) have achieved superior performance in various prediction tasks, but can be very vulnerable to adversarial examples or perturbations. Therefore, it is crucial to measure the sensitivity of DNNs to various forms of…

Machine Learning · Statistics 2019-12-23 Hai Shu , Hongtu Zhu

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

The celebrated work of Onsager on hard particle systems, based on the truncated second order virial expansion, is valid at relatively low volume fractions for large aspect ratio particles. While it predicts the isotropic-nematic phase…

Soft Condensed Matter · Physics 2017-08-16 Eduardo S. Nascimento , Peter Palffy-Muhoray , Jamie M. Taylor , Epifanio G. Virga , Xiaoyu Zheng

We present a neural network approach for fast evaluation of parameter-dependent polyconvex envelopes, which are crucial in computational mechanics. Our method uses a neural network architecture that inherently encodes polyconvexity in the…

Numerical Analysis · Mathematics 2025-04-11 Loïc Balazi , Timo Neumeier , Malte A. Peter , Daniel Peterseim

In this paper, we study the preferential stiffness and the crack-tip fields for an elastic porous solid of which material properties are dependent upon the density. Such a description is necessary to describe the failure that can be caused…

Numerical Analysis · Mathematics 2022-12-19 Hyun C. Yoon , S. M. Mallikarjunaiah , Dambaru Bhatta

A field known as Compressive Sensing (CS) has recently emerged to help address the growing challenges of capturing and processing high-dimensional signals and data sets. CS exploits the surprising fact that the information contained in a…

Machine Learning · Statistics 2010-02-08 Michael B. Wakin

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

Nuclear Theory · Physics 2016-05-09 Kai Wen , Kouhei Washiyama , Ni Fang , Takashi Nakatsukasa

Energy density functionals (EDFs) have been used extensively with great success to calculate properties of nuclei and to predict the equation of state (EOS) of dense nuclear matter. Besides non-relativistic EDFs, mostly of the Skyrme or…

Nuclear Theory · Physics 2024-10-29 Stefan Typel , Shalom Shlomo

We aim to develop a nuclear energy density functional that can be simultaneously applied to finite nuclei and neutron stars. We use the self-consistent nuclear density functional theory (DFT) with Skyrme energy density functionals and…

Nuclear Theory · Physics 2015-01-28 J. Erler , C. J. Horowitz , W. Nazarewicz , M. Rafalski , P. -G. Reinhard

In this paper, we consider a surrogate modeling approach using a data-driven nonparametric likelihood function constructed on a manifold on which the data lie (or to which they are close). The proposed method represents the likelihood…

Data Analysis, Statistics and Probability · Physics 2019-06-04 Shixiao W. Jiang , John Harlim

The information-geometric statistical analysis on the stability of model reductions, reported previously [Imbri\v{s}ak and Nomura, Phys. Rev. C 107, 034304 (2023)] with a focus on the manifold boundary approximation method in the…

Nuclear Theory · Physics 2023-08-31 M. Imbrišak , K. Nomura

We discuss different approaches to the problem of reproducing the observed features of nuclear single-particle (s.p.) spectra. In particular, we analyze the dominant energy peaks, and the single-particle strength fragmentation, using the…

Nuclear Theory · Physics 2015-05-18 P. F. Bortignon , G. Colò , H. Sagawa
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