Related papers: A transport model description of Time-Dependent Ge…
Obtaining a reduced description with particle and momentum flux densities outgoing from the microscopic equations of motion of the particles requires approximations. The usual method, we refer to as truncation method, is to zero Fourier…
The dynamics of induced fission of $^{226}$Th is investigated in a theoretical framework based on the finite-temperature time-dependent generator coordinate method (TDGCM) in the Gaussian overlap approximation (GOA). The thermodynamical…
Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…
We formulate a new model for transport in stochastic media with long-range spatial correlations where exponential attenuation (controlling the propagation part of the transport) becomes power law. Direct transmission over optical distance…
The geometric transportation problem takes as input a set of points $P$ in $d$-dimensional Euclidean space and a supply function $\mu : P \to \mathbb{R}$. The goal is to find a transportation map, a non-negative assignment $\tau : P \times…
We introduce $\textit{Stein transport}$, a novel methodology for Bayesian inference designed to efficiently push an ensemble of particles along a predefined curve of tempered probability distributions. The driving vector field is chosen…
Directly computing mass transport coefficients in stochastic models requires integrating over time the equilibrium correlations between atomic displacements. Here, we show how to accelerate the computations via \green{correlation splitting…
In this paper, we present a kernel-based, multi-task Gaussian Process (GP) model for approximating the underlying function of an individual's mobility state using a time-inhomogeneous Markov Process with two states: moves and pauses. Our…
Trajectory data mining is crucial for smart city management. However, collecting large-scale trajectory datasets is challenging due to factors such as commercial conflicts and privacy regulations. Therefore, we urgently need trajectory…
An extension of time-dependent density functional theory (TDDFT), the generalized time-dependent generator coordinate method (TDGCM), is applied to a study of induced nuclear fission dynamics. In the generalized TDGCM, the correlated…
Gromov--Wasserstein optimal transport (GWOT) aligns metric measure spaces by matching their within-domain relational structures, but large-scale GWOT remains challenging because its objective is nonconvex and projection onto the transport…
Reactive transport in saturated/unsaturated porous media is numerically upscaled to the space-time scale of a hypothetical measurement through coarse-grained space-time (CGST) averages. The reactive transport is modeled at the fine-grained…
Boltzmann transport calculations based on band structures generated with density functional theory (DFT) are often used in the discovery and analysis of thermoelectric materials. In standard implementations, such calculations require dense…
We develop generalized polynomial chaos (gPC) based stochastic Galerkin (SG) methods for a class of highly oscillatory transport equations that arise in semiclassical modeling of non-adiabatic quantum dynamics. These models contain…
We use a generalized Master equation (GME) formalism to describe the non-equilibrium time-dependent transport through a short quantum wire connected to semi-infinite biased leads. The contact strength between the leads and the wire are…
We present a geometric formulation of optical, thermoelectric, and thermal linear response in clean, zero temperature band insulators based on a single object: a generalized time-dependent quantum geometric tensor (g-tQGT) built from…
A major concern in modern power systems is that the popularity and fluctuating characteristics of renewable energy may cause more and more transmission congestion events. Traditional congestion management modeling involves AC or DC power…
In this paper, we generalize a high order semi-Lagrangian (SL) discontinuous Galerkin (DG) method for multi-dimensional linear transport equations without operator splitting developed in Cai et al. (J. Sci. Comput. 73: 514-542, 2017) to the…
A generator of spatio-temporal pseudo-random Gaussian fields that satisfy the "proportionality of scales" property (Tsyroulnikov, 2001) is presented. The generator is based on a third-order in time stochastic differential equation with a…
Most optimal routing problems focus on minimizing travel time or distance traveled. Oftentimes, a more useful objective is to maximize the probability of on-time arrival, which requires statistical distributions of travel times, rather than…