Related papers: Bayesian Hamiltonian Selection in X-ray Photoelect…
Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…
Exposure assessment models are deterministic models derived from physical-chemical laws. In real workplace settings, chemical concentration measurements can be noisy and indirectly measured. In addition, inference on important parameters…
A heuristic method based on an image recognition approach has been developed for fast and efficient processing of single shot FEL RIXS spectra.
Split-pulse x-ray photon correlation spectroscopy has been proposed as one of the unique capabilities made possible with the x-ray free electron lasers. It enables characterization of atomic scale structural dynamics that dictates the…
Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…
Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between…
Xclaim (x-ray core level atomic multiplets) is a graphical interface for the calculation of core-hole spectroscopy and ground state properties within a charge-transfer multiplet model taking into account a many-body hamiltonian with…
Quantitative high-resolution transmission electron microscopy (HRTEM) provides an indispensable means to understand the structure-property relationships of a material in atomic dimensions. Successful quantification requires reliable…
In many inference problems, the evaluation of complex and costly models is often required. In this context, Bayesian methods have become very popular in several fields over the last years, in order to obtain parameter inversion, model…
A Bayesian probability based approach is applied to the problem of detecting and parameterizing oscillations in the upper solar atmosphere for the first time. Due to its statistical origin, this method provides a mechanism for determining…
The European XFEL, currently under construction, will produce a coherent X-ray pulse every 222 ns in pulse trains of up to 2700 pulses. In conjunction with the fast 2D area detectors currently under development, it will be possible to…
Core hole photoemission (XPS) provides a powerful indirect probe of the low energy excitations of a many electron system. We argue that XPS can be used to study the way in which a gap opens at a metal-superconductor or metal- insulator…
Identifying the active factors that have significant impacts on the output of the complex system is an important but challenging variable selection problem in computer experiments. In this paper, a Bayesian hierarchical Gaussian process…
X-ray photoelectron spectroscopy (XPS) measures electron removal energies, providing direct access to core and valence electron binding energies, hence probing the electronic structure. In this work, we benchmark for the first time the ab…
In many signal processing problems, it may be fruitful to represent the signal under study in a frame. If a probabilistic approach is adopted, it becomes then necessary to estimate the hyper-parameters characterizing the probability…
M\"ossbauer spectroscopy is a technique employed to investigate the microscopic properties of materials using transitions between energy levels in the nuclei. Conventionally, in synchrotron-radiation-based M\"ossbauer spectroscopy, the…
Bayesian model selection provides a powerful and mathematically transparent framework to tackle hypothesis testing, such as detection tests of gravitational waves emitted during the coalescence of binary systems using ground-based laser…
The hyperspectral X-ray imaging has been long sought in various fields from material analysis to medical diagnosis. Here we propose a new semiconductor detector structure to realize energy-resolved imaging at potentially low cost. The…
Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
We compare the accuracy, precision and reliability of different methods for estimating key system parameters for two-level systems subject to Hamiltonian evolution and decoherence. It is demonstrated that the use of Bayesian modelling and…