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Most particle induced X-ray emission (PIXE) data analysis codes are not focused on handling multilayered samples. We have developed an open-source library called "LibCPIXE", for PIXE data analysis. It is written in standard C and implements…

Materials Science · Physics 2007-07-18 C. Pascual-Izarra , N. P. Barradas , M. A. Reis

Computer codes are widely used to describe physical processes in lieu of physical observations. In some cases, more than one computer simulator, each with different degrees of fidelity, can be used to explore the physical system. In this…

Bayesian experimental design is a technique that allows to efficiently select measurements to characterize a physical system by maximizing the expected information gain. Recent developments in deep neural networks and normalizing flows…

Quantum Physics · Physics 2023-06-27 Leopoldo Sarra , Florian Marquardt

We present a mechanism to symbolically gather performance-relevant operation counts from numerically-oriented subprograms (`kernels') expressed in the Loopy programming system, and apply these counts in a simple, linear model of kernel run…

Performance · Computer Science 2016-04-19 James Stevens , Andreas Klöckner

Lattice Boltzmann methods are a popular mesoscopic alternative to macroscopic computational fluid dynamics solvers. Many variants have been developed that vary in complexity, accuracy, and computational cost. Extensions are available to…

Mathematical Software · Computer Science 2020-04-14 Martin Bauer , Harald Köstler , Ulrich Rüde

Probabilistic programming is a rapidly developing programming paradigm which enables the formulation of Bayesian models as programs and the automation of posterior inference. It facilitates the development of models and conducting Bayesian…

Software Engineering · Computer Science 2025-10-31 Nathanael Nussbaumer , Markus Böck , Jürgen Cito

Bayesian optimization has emerged as a strong candidate tool for global optimization of functions with expensive evaluation costs. However, due to the dynamic nature of research in Bayesian approaches, and the evolution of computing…

Applications · Statistics 2018-08-24 Ran Rubin

Nonlinear non-Gaussian state-space models are ubiquitous in statistics, econometrics, information engineering and signal processing. Particle methods, also known as Sequential Monte Carlo (SMC) methods, provide reliable numerical…

Computation · Statistics 2015-09-11 Nikolas Kantas , Arnaud Doucet , Sumeetpal S. Singh , Jan Maciejowski , Nicolas Chopin

In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

Prominent features of simulated moving bed (SMB) chromatography processes in the downstream processing is based on the determination of operating conditions. However, effects of different types of uncertainties have to be studied and…

Computational Engineering, Finance, and Science · Computer Science 2021-07-16 Qiao-Le He , Liming Zhao

We propose a novel blocked version of the continuous-time bouncy particle sampler of [Bouchard-C\^ot\'e et al., 2018] which is applicable to any differentiable probability density. This alternative implementation is motivated by blocked…

Computation · Statistics 2021-07-12 Jacob Vorstrup Goldman , Sumeetpal Sidhu Singh

Simulation-based Bayesian inference (SBI) can be used to estimate the parameters of complex mechanistic models given observed model outputs without requiring access to explicit likelihood evaluations. A prime example for the application of…

Machine Learning · Computer Science 2022-11-28 Jonas Beck , Michael Deistler , Yves Bernaerts , Jakob Macke , Philipp Berens

We develop a Bayesian approach called Bayesian projected calibration to address the problem of calibrating an imperfect computer model using observational data from a complex physical system. The calibration parameter and the physical…

Methodology · Statistics 2019-02-08 Fangzheng Xie , Yanxun Xu

The efficacy of family-based approaches to mixture model-based clustering and classification depends on the selection of parsimonious models. Current wisdom suggests the Bayesian information criterion (BIC) for mixture model selection.…

Methodology · Statistics 2013-11-12 Sakyajit Bhattacharya , Paul D. McNicholas

A brain-computer interface (BCI) is a system that aims for establishing a non-muscular communication path for subjects who had suffer from a neurodegenerative disease. Many BCI systems make use of the phenomena of event-related…

Computer Vision and Pattern Recognition · Computer Science 2016-12-28 Jaime Fernando Delgado Saa , Mujdat Cetin

A high-performance image compression algorithm is crucial for real-time information transmission across numerous fields. Despite rapid progress in image compression, computational inefficiency and poor redundancy modeling still pose…

Computer Vision and Pattern Recognition · Computer Science 2025-08-25 Fanhu Zeng , Hao Tang , Yihua Shao , Siyu Chen , Ling Shao , Yan Wang

Diffusion models have recently emerged as powerful learners for simulation-based inference (SBI), enabling fast and accurate estimation of latent parameters from simulated and real data. Their score-based formulation offers a flexible way…

Machine Learning · Statistics 2026-01-30 Jonas Arruda , Niels Bracher , Ullrich Köthe , Jan Hasenauer , Stefan T. Radev

Hardware performance counters (HPCs) that measure low-level architectural and microarchitectural events provide dynamic contextual information about the state of the system. However, HPC measurements are error-prone due to non determinism…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-02-23 Subho S. Banerjee , Saurabh Jha , Zbigniew T. Kalbarczyk , Ravishankar K. Iyer

A method for sequential Bayesian inference of the static parameters of a dynamic state space model is proposed. The method is based on the observation that many dynamic state space models have a relatively small number of static parameters…

Computation · Statistics 2017-06-28 Arnab Bhattacharya , Simon Wilson

Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes.…

Computational Physics · Physics 2017-04-11 Ruxi Qi , Wesley M. Botello-Smith , Ray Luo