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We develop a data-driven approach for signal denoising that utilizes variational mode decomposition (VMD) algorithm and Cramer Von Misses (CVM) statistic. In comparison with the classical empirical mode decomposition (EMD), VMD enjoys…
The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme…
Researchers attributed the orderly arranged nanoscale phases observed in many multi-principal element alloys (MPEAs) to spinodal/spinodal-mediated phase transformation pathways. However, spinodal decomposition is not well understood in…
A two-dimensional lattice Boltzmann model with 19 discrete velocities for compressible Euler equations is proposed (D2V19-LBM). The fifth-order Weighted Essentially Non-Oscillatory (5th-WENO) finite difference scheme is employed to…
We applied the clustering technique using DTW (dynamic time wrapping) analysis to XRD (X-ray diffraction) spectrum patterns in order to identify the microscopic structures of substituents introduced in the main phase of magnetic alloys. The…
The interest to foster plasmonic applications at energies in the ultra-violet, has escalated research initiatives in clusters of unconventional plasmonic materials like aluminum and indium,for which the surface-plasmon resonance appears…
Using the spectral approach, we analyze the effective properties of a composite which deviates slightly from periodicity. We find that, when the inclusions are randomly displaced from their equilibrium positions, the sharp resonances seen…
This paper applies the gradient discretisation method (GDM) for fourth order elliptic variational inequalities. The GDM provides a new formulation of error estimates and a complete convergence analysis of several numerical methods. We show…
We revisit the "two-component virial theorem" (2VT) in the light of recent theoretical and observational results related to the "dark matter"(DM) problem. This modification of the virial theorem offers a physically meaningful framework to…
We present a data-driven method for separating complex, multiscale systems into their constituent time-scale components using a recursive implementation of dynamic mode decomposition (DMD). Local linear models are built from windowed…
We present a comprehensive study on how perturbations due to a distribution of $\Lambda$CDM dark matter subhalos can lead to star clusters deviating from their orbits. Through a large suite of massless test particle simulations, we find…
This article provides next step towards solving speed bottleneck of any system that intensively uses convolutions operations (e.g. CNN). Method described in the article is applied on deformable part models (DPM) algorithm. Method described…
Stein Variational Gradient Descent (SVGD) is a widely used in practice algorithm for scalable sampling with deterministic particle updates. We study its behavior in the singular limit where the kernel bandwidth tends to zero. In this…
Using the variational cluster approach (VCA), we study the transition from the antiferromagnetic to the superconducting phase of the two-dimensional Hubbard model at zero temperature. Our calculations are based on a new method to evaluate…
Principal Component Analysis (PCA) via Singular Value Decomposition (SVD) of large datasets is an adaptive exploratory method to uncover natural patterns underlying the data. Several recent applications of the PCA-SVD to event-by-event…
Lagrangian descriptors (LDs) based on the arc length of orbits previously demonstrated their utility in delineating structures governing the dynamics. Recently, a chaos indicator based on the second derivatives of the LDs, referred to as…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
The improved light-cone distribution amplitudes (LCDAs) of the $\Lambda$ baryon are examined on the basis of the QCD conformal partial wave expansion approach. The calculations are carried out to the next-to-leading order of conformal spin…
We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a…
Chemical bonding is a ubiquitous concept in chemistry and it provides a common basis for experimental and theoretical chemists to explain and predict the structure, stability and reactivity of chemical species. Among others, the Energy…