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Model selection aims to determine which theoretical models are most plausible given some data, without necessarily asking about the preferred values of the model parameters. A common model selection question is to ask when new data require…

Astrophysics · Physics 2008-11-26 Andrew R. Liddle , Pia Mukherjee , David Parkinson

Identifying parameters of computational models from experimental data, or model calibration, is fundamental for assessing and improving the predictability and reliability of computer simulations. In this work, we propose a method for…

Computational Physics · Physics 2023-08-07 Lianghao Cao , Keyi Wu , J. Tinsley Oden , Peng Chen , Omar Ghattas

In this paper, Bayesian optimisation is used to simultaneously search the optimal values of the shape parameter and the radius in radial basis function partition of unity interpolation problem. It is a probabilistic iterative approach that…

Numerical Analysis · Mathematics 2023-11-08 Roberto Cavoretto , Alessandra De Rossi , Sandro Lancellotti , Federico Romaniello

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

X-ray free electron laser (XFEL) can provide X-ray light with about four order of magnitude higher flux than synchrotron radiation. Pulse light from XFEL interacts with the target and the resulting photons are collected by detectors. The…

Instrumentation and Detectors · Physics 2021-10-13 Shuo Zhang , Jing-Kai Xia , Xu-Dong Ju

Many post-processing algorithms have been developed in order to better separate the signal of a companion from the bright light of the host star, but the effect of such algorithms on the shape of exoplanet spectra extracted from integral…

Earth and Planetary Astrophysics · Physics 2023-10-04 Evert Nasedkin , Paul Mollière , Jason Wang , Faustine Cantalloube , Laura Kreidberg , Laurent Pueyo , Tomas Stolker , Arthur Vigan

In this work, we characterize the performance of a deep convolutional neural network designed to detect and quantify chemical elements in experimental X-ray photoelectron spectroscopy data. Given the lack of a reliable database in…

Disordered Systems and Neural Networks · Physics 2019-09-13 Giovanni Drera , Chahan M. Kropf , Luigi Sangaletti

The problem of constructing a dataset for MLIP development which gives the maximum quality in the minimum amount of compute time is complex, and can be approached in a number of ways. We introduce a ``Bayesian selection" approach for…

Materials Science · Physics 2025-06-23 Thomas Rocke , James Kermode

We introduce a novel Bayesian approach for both covariate selection and sparse precision matrix estimation in the context of high-dimensional Gaussian graphical models involving multiple responses. Our approach provides a sparse estimation…

Methodology · Statistics 2024-09-25 Anwesha Chakravarti , Naveen N. Narishetty , Feng Liang

Hamiltonian Monte Carlo (HMC) is an efficient Bayesian sampling method that can make distant proposals in the parameter space by simulating a Hamiltonian dynamical system. Despite its popularity in machine learning and data science, HMC is…

Machine Learning · Statistics 2020-09-02 Ziming Liu , Zheng Zhang

A procedure is described for estimating an optimum kernel for the detection by convolution of signals among Poissonian noise. The technique is applied to the detection of x-ray point sources in XMM-Newton data, and is shown to yield an…

Astrophysics · Physics 2009-11-11 Ian Stewart

X-ray spectral imaging provides quantitative imaging of trace elements in biological sample with high sensitivity. We propose a novel algorithm to promote the signal-to-noise ratio (SNR) of X-ray spectral images that have low photon counts.…

Medical Physics · Physics 2013-04-02 Feng Zhu , Binjie Qin , Weiyue Feng , Huajian Wang , Shaosen Huang , Yisong Lv , Yong Chen

Semiconductor device models are essential to understand the charge transport in thin film transistors (TFTs). Using these TFT models to draw inference involves estimating parameters used to fit to the experimental data. These experimental…

Machine Learning · Computer Science 2021-11-29 Neel Chatterjee , Somya Sharma , Sarah Swisher , Snigdhansu Chatterjee

The analysis of high spectral resolution spectroscopic and spectropolarimetric observations constitute a very powerful way of inferring the dynamical, thermodynamical, and magnetic properties of distant objects. However, these techniques…

Solar and Stellar Astrophysics · Physics 2015-06-11 A. Asensio Ramos , R. Manso Sainz

Mass spectrometry (MS) is an important technique for chemical profiling which calculates for a sample a high dimensional histogram-like spectrum. A crucial step of MS data processing is the peak picking which selects peaks containing…

Machine Learning · Statistics 2009-10-05 Theodore Alexandrov , Klaus Steinhorst , Oliver Keszoecze , Stefan Schiffler

We consider the high energy physics unfolding problem where the goal is to estimate the spectrum of elementary particles given observations distorted by the limited resolution of a particle detector. This important statistical inverse…

Applications · Statistics 2015-11-18 Mikael Kuusela , Victor M. Panaretos

This chapter introduces the use of X-ray absorption spectroscopy (XAS) in studying the local electronic and atomic structure of high-entropy materials. The element selectivity of XAS makes it particularly suitable to address the challenges…

Materials Science · Physics 2024-11-12 Alexei Kuzmin

Single molecule X-ray scattering experiments with free electron lasers have opened a new route to the structure determination of biomolecules. Because typically only very few photons per scattering image are recorded and thus the…

Computational Physics · Physics 2023-04-17 Steffen Schultze , Helmut Grubmüller

Recent experiments aiming to measure phenomena predicted by strong field quantum electrodynamics have done so by colliding relativistic electron beams and high-power lasers. In such experiments, measurements of the collision parameters are…

Data Analysis, Statistics and Probability · Physics 2024-07-01 E. E. Los , C. Arran , E. Gerstmayr , M. J. V. Streeter , Z. Najmudin , C. P. Ridgers , G. Sarri , S. P. D Mangles

The light we receive from distant astrophysical objects carries information about their origins and the physical mechanisms that power them. The study of these signals, however, is complicated by the fact that observations are often a…

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