Related papers: FlameNEST: Explicit Profile Likelihoods with the N…
Flamelet Progress Variable (FPV) combustion models allow the evaluation of all thermo chemical quantities in a reacting flow by computing only the mixture fraction Z and a progress variable C. When using such a method to predict a turbulent…
In the field of computational physics and material science, the efficient sampling of rare events occurring at atomic scale is crucial. It aids in understanding mechanisms behind a wide range of important phenomena, including protein…
Cosmological emulation of observables such as the Cosmic Microwave Background (CMB) spectra and matter power spectra have become increasingly common in recent years because of the potential for saving computation time in connection with…
Crystallization processes at the mesoscopic scale, where faceted, dendritic growth, and multigrain formation can be observed, are of particular interest within materials science and metallurgy. These processes are highly nonlinear,…
We present a deep-learning-based approach for identifying dark matter haloes in cosmological N-body simulations. Our framework consists of a volumetric Convolutional Neural Network to classify individual simulation particles as either halo…
The search for dark matter, the missing mass of the Universe, is one of the most active fields of study within particle physics. The XENON1T experiment recently observed a 3.5$\sigma$ excess potentially consistent with dark matter, or with…
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…
Deep neural networks have amply demonstrated their prowess but estimating the reliability of their predictions remains challenging. Deep Ensembles are widely considered as being one of the best methods for generating uncertainty estimates…
The application of deep learning techniques using convolutional neural networks to the classification of particle collisions in High Energy Physics is explored. An intuitive approach to transform physical variables, like momenta of…
Scanning transmission electron microscopy (STEM) is an indispensable tool for atomic-resolution structural analysis for a wide range of materials. The conventional analysis of STEM images is an extensive hands-on process, which limits…
Program obfuscation is increasingly popular among malware creators. Objectively comparing different malware detection approaches with respect to their resilience against obfuscation is challenging. To the best of our knowledge, there is no…
MNPBEM is a Matlab toolbox for the simulation of metallic nanoparticles (MNP), using a boundary element method (BEM) approach. The main purpose of the toolbox is to solve Maxwell's equations for a dielectric environment where bodies with…
Simulating detector responses is a crucial part of understanding the inner workings of particle collisions in the Large Hadron Collider at CERN. Such simulations are currently performed with statistical Monte Carlo methods, which are…
Maximum likelihood estimators are proposed for the parameters and the densities in a semiparametric density ratio model in which the nonparametric baseline density is approximated by the Bernstein polynomial model. The EM algorithm is used…
In this paper we study the computation of the nonparametric maximum likelihood estimator (NPMLE) in multivariate mixture models. Our first approach discretizes this infinite dimensional convex optimization problem by fixing the support…
A vital stage in the mathematical modelling of real-world systems is to calibrate a model's parameters to observed data. Likelihood-free parameter inference methods, such as Approximate Bayesian Computation, build Monte Carlo samples of the…
In this paper, we introduce Deep Probabilistic Ensembles (DPEs), a scalable technique that uses a regularized ensemble to approximate a deep Bayesian Neural Network (BNN). We do so by incorporating a KL divergence penalty term into the…
In this Letter, we strengthen and extend the connection between simulation and estimation to exploit simulation routines that do not exactly compute the probability of experimental data, known as the likelihood function. Rather, we provide…
Aims. Numerical test-particle simulations are a reliable and frequently used tool to test analytical transport theories and to predict mean-free paths. The comparison between solutions of the diffusion equation and the particle flux is used…
We present a general Bayesian formalism for the definition of Figures of Merit (FoMs) quantifying the scientific return of a future experiment. We introduce two new FoMs for future experiments based on their model selection capabilities,…