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By adjusting the incidence angle of incoming X-ray near the critical angle of X-ray total reflection, the photoelectron intensity is strongly modulated due to the variation of X-ray penetration depth. Photoelectron spectroscopy (PES)…

Materials Science · Physics 2021-11-23 Julien E. Rault , Cheng-Tai Kuo , Henrique P. Martins , Giuseppina Conti , Slavomir Nemšák

In this paper, we explore the determination of a spectral emissivity profile that closely matches real data, intended for use as an initial guess and/or a-priori information in a retrieval code. Our approach employs a Bayesian method that…

Applications · Statistics 2024-07-11 Luca Sgheri , Cristina Sgattoni , Chiara Zugarini

A widely used method to create a continuous representation of a discrete data-set is regression analysis. When the regression model is not based on a mathematical description of the physics underlying the data, heuristic techniques play a…

Statistics Theory · Mathematics 2013-07-18 Giovanni Mana , Paolo Alberto Giuliano Albo , Simona Lago

Identifying model Hamiltonians is a vital step toward creating predictive models of materials. Here, we combine Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering…

Strongly Correlated Electrons · Physics 2025-10-30 Marton K. Lajer , Xin Dai , Kipton Barros , Matthew R. Carbone , S. Johnston , M. P. M. Dean

The estimation of the signal location and intensity of a peak in a pulse height spectrum is important for x-ray and $\gamma$-ray spectroscopy, charged-particle spectrometry, liquid chromatography, and many other subfields. However, both the…

Data Analysis, Statistics and Probability · Physics 2021-03-03 Cade Rodgers , Christian Iliadis

The characterization of the electronic structure and chemical states of gases, solids, and liquids can be effectively performed using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). However, the acquisition of electronic and…

Chemical Physics · Physics 2025-03-17 Yang Gu , Zhehao Qiu , Shui Lin , Yong Han , Hui Zhang , Zhi Liu , Jun Cai

Over the past 10 years Bayesian methods have rapidly grown more popular as several computationally intensive statistical algorithms have become feasible with increased computer power. In this paper, we begin with a general description of…

Astrophysics · Physics 2016-02-19 David A. van Dyk , Alanna Connors , Vinay L. Kashyap , Aneta Siemiginowska

In this paper, a Bayesian fusion technique for remotely sensed multi-band images is presented. The observed images are related to the high spectral and high spatial resolution image to be recovered through physical degradations, e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2014-08-27 Qi Wei , Nicolas Dobigeon , Jean-Yves Tourneret

A multi-imaging strategy is proposed and experimentally tested to improve the accuracy of photon counting with an electron multiplying charge-coupled device (EMCCD), by taking into account the random nature of its on-chip gain and the…

Astrophysics · Physics 2009-11-13 Eric Lantz , Jean Luc Blanchet , Luca Furfaro , Fabrice Devaux

X-ray photoelectron spectroscopy (XPS) measures core-electron binding energies (CEBEs) to reveal element-specific insights into chemical environment and bonding. Accurate theoretical CEBE prediction aids XPS interpretation but requires…

Chemical Physics · Physics 2024-08-13 Anton Morgunov , Henry K. Tran , Oinam Romesh Meitei , Yu-Che Chien , Troy Van Voorhis

We present a quantitatively accurate machine-learning (ML) model for the computational prediction of core-electron binding energies, from which x-ray photoelectron spectroscopy (XPS) spectra can be readily obtained. Our model combines…

In this paper, we propose a Bayesian spectral deconvolution considering the properties of peaks in different energy domains. Bayesian spectral deconvolution regresses spectral data into the sum of multiple basis functions. Conventional…

We examine core-level X-ray photoemission spectroscopy (XPS), X-ray absorption near-edge spectroscopy (XANES) and X-ray emission spectroscopy (XES) in the Falicov-Kimball model by using the exact solution from dynamical mean-field theory.…

Strongly Correlated Electrons · Physics 2015-03-20 A. M. Shvaika , J. K. Freericks

We present a scalable Bayesian framework for the analysis of confocal fluorescence spectroscopy data, addressing key limitations in traditional fluorescence correlation spectroscopy methods. Our framework captures molecular motion,…

Numerical Analysis · Mathematics 2024-11-07 Daniel McBride , Ioannis Sgouralis

The problem of selecting the most useful features from a great many (eg, thousands) of candidates arises in many areas of modern sciences. An interesting problem from genomic research is that, from thousands of genes that are active…

Applications · Statistics 2018-05-15 Longhai Li , Weixin Yao

Bayesian spectral deconvolution provides a data-driven framework for mathematical model selection and parameter estimation from spectral data. Although highly versatile, it becomes computationally expensive as the number of model…

Computation · Statistics 2026-04-07 Tomohiro Nabika , Yui Hayashi , Masato Okada

X-ray photon correlation spectroscopy (XPCS) allows for the resolution of dynamic processes within a material across a wide range of length and time scales. X-ray speckle visibility spectroscopy (XSVS) is a related method that uses a single…

Numerical Analysis · Mathematics 2023-01-09 Shaswat Mohanty , Christopher B. Cooper , Hui Wang , Mengning Liang , Wei Cai

Approximate Bayesian computation (ABC) using a sequential Monte Carlo method provides a comprehensive platform for parameter estimation, model selection and sensitivity analysis in differential equations. However, this method, like other…

Machine Learning · Statistics 2015-07-21 Sanmitra Ghosh , Srinandan Dasmahapatra , Koushik Maharatna

Bayesian Optimization is a sample-efficient black-box optimization procedure that is typically applied to problems with a small number of independent objectives. However, in practice we often wish to optimize objectives defined over many…

Machine Learning · Computer Science 2021-10-29 Wesley J. Maddox , Maximilian Balandat , Andrew Gordon Wilson , Eytan Bakshy

X-ray free-electron lasers are sources of coherent, high-intensity X-rays with numerous applications in ultra-fast measurements and dynamic structural imaging. Due to the stochastic nature of the self-amplified spontaneous emission process…