Related papers: From graph theory and geometric probabilities to a…
We start from the QED Lagrangian to describe a charged many-particle system coupled to the radiation field. A covariant density matrix approach to kinetic theory of QED plasmas, subjected to a strong external electro-magnetic field has…
In this paper, we present GGSD, a novel graph generative model based on 1) the spectral decomposition of the graph Laplacian matrix and 2) a diffusion process. Specifically, we propose to use a denoising model to sample eigenvectors and…
We have derived consistent sets of band parameters (band gaps, crystal field-splittings, band gap deformation potentials, effective masses, Luttinger and EP parameters) for AlN, GaN, and InN in the zinc-blende and wurtzite phases employing…
The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine…
The ($p,pd$) reaction is expected to be a powerful tool for probing three-nucleon forces (3NFs) in nuclear medium since it can be essentially regarded as the $p$-$d$ elastic scattering inside nuclei. One of the important points in the…
In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…
How does growth encode form in developing organisms? Many different spatiotemporal growth profiles may sculpt tissues into the same target 3D shapes, but only specific growth patterns are observed in animal and plant development. In…
Ab initio thermodynamics is a widespread, computationally efficient approach to predict the stable configuration of a surface in contact with a surrounding (gas or liquid) environment. In a prevalent realization of this approach, this…
Diffusion models have shown superior performance on unsupervised anomaly detection tasks. Since trained with normal data only, diffusion models tend to reconstruct normal counterparts of test images with certain noises added. However, these…
We study the diffusion process through an ideal polymer network, using numerical methods. Polymers are modeled by random walks on the bonds of a two-dimensional square lattice. Molecules occupy the lattice cells and may jump to the…
Arterial tissue delamination, manifested as the failure between arterial layers, is a critical process in the rupture of atherosclerotic plaque, leading to potential life-threatening clinical consequences. Numerous models have been used to…
Magnetic reconnection is a fundamental mechanism of driving eruptive phenomena of different scales and may be coupled with turbulence as suggested by recent remote-sensing and in-situ observations. However, the specific physics behind the…
We study the implications of averaging methods with different reference depth scales for 3D hydrodynamical model atmospheres computed with the Stagger-code. The temporally and spatially averaged (hereafter denoted as <3D>) models are…
A finite-difference time-domain (FDTD) simulation of broadband electromagnetic metasurfaces based on direct in- corporation of Generalized Sheet Transition Conditions (GSTCs) inside a conventional Yee-cell region has been proposed, for…
The effect of introducing a spatial heterogeneity into an explosive medium is studied computationally by examining the detonation velocity near the limit to propagation in a thin explosive layer. The explosive system studied is an ideal gas…
Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a…
We consider the Widom-Rowlinson model of two types of interacting particles on d-regular graphs. We prove a tight upper bound on the occupancy fraction, the expected fraction of vertices occupied by a particle under a random configuration…
A model of the collisional kinetics of energetic hydrogen atoms, molecules, and ions in pure H$_2$ discharges is used to predict H$_\alpha$ emission profiles and spatial distributions of emission from the cathode regions of low-pressure,…
This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…
The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…