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Hybrid Bayesian networks (HBN) contain complex conditional probabilistic distributions (CPD) specified as partitioned expressions over discrete and continuous variables. The size of these CPDs grows exponentially with the number of parent…
Combining three numerical methods (forward flux sampling, seeding of droplets, and finite size droplets), we probe the crystallization of hard spheres over the full range from close to coexistence to the spinodal regime. We show that all…
Manufacturing of particulate products across many industries relies on accurate measurements of particle size distributions in dispersions or powders. Laser diffraction (or small angle light scattering) is commonly used, usually off-line,…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
The 3-d inverse scattering problem of the reconstruction of the unknown dielectric permittivity in the generalized Helmholtz equation is considered. The main difference with the conventional inverse scattering problems is that only the…
We consider the inverse scattering problem to reconstruct a local perturbation of a given inhomogeneous periodic layer in $\mathbb{R}^d$, $d=2,3$, using near field measurements of the scattered wave on an open set of the boundary above the…
In this work, we develop efficient solvers for linear inverse problems based on randomized singular value decomposition (RSVD). This is achieved by combining RSVD with classical regularization methods, e.g., truncated singular value…
We propose a multiscale computational method for thin-layer flows of complex fluids, termed the synchronized molecular dynamics (SMD) method, which directly couples local molecular dynamics (MD) simulations with a macroscopic lubrication…
Four different applications of spectral proper orthogonal decomposition (SPOD): low-rank reconstruction, denoising, frequency-time analysis, and prewhitening are demonstrated on large-eddy simulation data of a turbulent jet. SPOD-based…
Smoothed particle hydrodynamics (SPH) has been extensively studied in computer graphics to animate fluids with versatile effects. However, SPH still suffers from two numerical difficulties: the particle deficiency problem, which will…
Bolton and Schlegel presented a promising deconvolution method to extract 1D spectra from a 2D optical fiber spectral CCD image. The method could eliminate the PSF difference between fibers, extract spectra to the photo noise level, as well…
Two main frameworks for defining transverse momentum dependent (TMD) parton densities are the Collins-Soper-Sterman (CSS) formalism, and the Parton Branching (PB) approach. While PB-TMDs have an explicit dependence on a single scale which…
As a multi-purpose Particle-In-Cell (PIC) code, Smilei gathers many different features in a single software. Combining some of them is challenging. In particular, spectral solvers and patch based load balancing have a priori non compatible…
The electric microfield distribution (MFD) at an impurity ion is studied for two-component (TCP) electron-ion plasmas using molecular dynamics simulation and theoretical models. The particles are treated within classical statistical…
This paper presents a new method of constructing physical models in a geophysical inverse problem, when there are only a few possible physical property values in the model and they are reasonably known but the geometry of the target is…
Microwave Tomography (MWT) aims to reconstruct the dielectric properties of tissues from measured scattered electromagnetic fields. This inverse problem is highly nonlinear and ill-posed, posing significant challenges for conventional…
Diffusion-weighted magnetic resonance imaging (DW-MRI) is the only non-invasive approach for estimation of intra-voxel tissue microarchitecture and reconstruction of in vivo neural pathways for the human brain. With improvement in…
We present a formalism to resum large threshold logarithms to all orders in perturbative QCD for the rapidity distribution of any colorless particle at the hadron colliders. Using the derived resummed coefficients in two dimensional Mellin…
Smoothing in state-space models amounts to computing the conditional distribution of the latent state trajectory, given observations, or expectations of functionals of the state trajectory with respect to this distributions. For models that…
This letter provides an adaptive resampling method. It determines the number of particles to resample so that the Kullback-Leibler distance (KLD) between distribution of particles before resampling and after resampling does not exceed a…