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Several machine learning applications involve the optimization of higher-order derivatives (e.g., gradients of gradients) during training, which can be expensive in respect to memory and computation even with automatic differentiation. As a…
Modern simulation codes for general relativistic ideal magnetohydrodynamics are all facing a long standing technical problem given by the need to recover fundamental variables from those variables that are evolved in time. In the…
State aggregation aims to reduce the computational complexity of solving Markov Decision Processes (MDPs) while preserving the performance of the original system. A fundamental challenge lies in optimizing policies within the aggregated, or…
The paper presents two contributions in the context of the numerical simulation of magnetized fluid dynamics. First, we show how to extend the ideal magnetohydrodynamics (MHD) equations with an inbuilt magnetic field divergence cleaning…
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…
Accelerator magnet test facilities frequently need to measure different magnets on differently equipped test stands and with different instrumentation. Designing a modular and highly reusable system that combines flexibility built-in at the…
The Gaussian graphical model (GGM) incorporates an undirected graph to represent the conditional dependence between variables, with the precision matrix encoding partial correlation between pair of variables given the others. To achieve…
Magnetic particles underpin a broad range of technologies, from water purification and mineral processing to bioseparations and targeted drug delivery. The dynamics of magnetic particles in high-gradient magnetic fields-encompassing both…
This article is concerned with a new filtered two-step variational integrator for solving the charged-particle dynamics in a mildly non-uniform moderate or strong magnetic field with a dimensionless parameter $\varepsilon$ inversely…
The Gaussian Effective Potential (GEP) is shown to be a useful variational tool for the study of the magnetic properties of strongly correlated electronic systems. The GEP is derived for a single band Hubbard model on a two-dimensional…
In unconstrained maximum a posteriori (MAP) and maximum likelihood estimation, the inverse of minus the merit-function Hessian matrix is an approximation of the estimate covariance matrix. In the Bayesian context of MAP estimation, it is…
This paper considers binary classification of high-dimensional features under a postulated model with a low-dimensional latent Gaussian mixture structure and non-vanishing noise. A generalized least squares estimator is used to estimate the…
The replica-exchange Monte-Carlo (RXMC) method is a powerful Markov-chain Monte-Carlo algorithm for sampling from multi-modal distributions, which are challenging for conventional methods. The sampling efficiency of the RXMC method depends…
We develop a general theory to estimate magnetic field gradients in quantum metrology. We consider a system of $N$ particles distributed on a line whose internal degrees of freedom interact with a magnetic field. Usually gradient estimation…
Magnesium (Mg) alloys have shown great prospects as both structural and biomedical materials, while poor corrosion resistance limits their further application. In this work, to avoid the time-consuming and laborious experiment trial, a…
This paper investigates the optimization problem of an infinite stage discrete time Markov decision process (MDP) with a long-run average metric considering both mean and variance of rewards together. Such performance metric is important…
High-order harmonic generation (HHG) results from strong-field laser matter interaction and it is one of the main processes that are used to extract electron structural and dynamical information about the atomic or molecular targets with…
Highly robust and efficient estimators for the generalized linear model with a dispersion parameter are proposed. The estimators are based on three steps. In the first step the maximum rank correlation estimator is used to consistently…
In this paper, we discuss an extension of the Split Hamiltonian Monte Carlo (Split HMC) method for Gaussian process model (GPM). This method is based on splitting the Hamiltonian in a way that allows much of the movement around the state…
A detailed experimental and simulation study of the extraction of a 24 keV He-ion beam from an ECR ion source and the subsequent beam transport through an analyzing magnet is presented. We find that such a slow ion beam is very sensitive to…