相关论文: Prediction of Diffusion Coefficients in Mixtures w…

Accurate and reliable forecasting of total cloud cover (TCC) is vital for many areas such as astronomy, energy demand and production, or agriculture. Most meteorological centres issue ensemble forecasts of TCC, however, these forecasts are…

We describe a new MCMC method optimized for the sampling of probability measures on Hilbert space which have a density with respect to a Gaussian; such measures arise in the Bayesian approach to inverse problems, and in conditioned…

$T, p$ flash calculations determine the correct number of phases at phase equilibrium and their compositions for fixed temperature and pressure. They are essential for chemical process simulation and optimization. The convex envelope method…

We show how the expectation-maximization (EM) algorithm can be applied exactly for the fitting of mixtures of general multivariate skew t (MST) distributions, eliminating the need for computationally expensive Monte Carlo estimation. Finite…

It is highly desirable to know how uncertain a model's predictions are, especially for models that are complex and hard to understand as in deep learning. Although there has been a growing interest in using deep learning methods in…

Continuous Conditional Diffusion Model (CCDM) is a diffusion-based framework designed to generate high-quality images conditioned on continuous regression labels. Although CCDM has demonstrated clear advantages over prior approaches across…

Distilling latent diffusion models (LDMs) into ones that are fast to sample from is attracting growing research interest. However, the majority of existing methods face two critical challenges: (1) They hinge on long training using a huge…

The stochastic motions of a diffusing particle contain information concerning the particle's interactions with binding partners and with its local environment. However, accurate determination of the underlying diffusive properties, beyond…

Mutual information (MI) is one of the most general ways to measure relationships between random variables, but estimating this quantity for complex systems is challenging. Denoising diffusion models have recently set a new bar for density…

General circulation models (GCMs) are the foundation of weather and climate prediction. GCMs are physics-based simulators which combine a numerical solver for large-scale dynamics with tuned representations for small-scale processes such as…

Accelerating diffusion model sampling is crucial for efficient AIGC deployment. While diffusion distillation methods -- based on distribution matching and trajectory matching -- reduce sampling to as few as one step, they fall short on…

Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

This paper presents a fast computational method, the Expectation Maximization algorithm, for Maximum Likelihood (ML) estimation in diffusion tensor imaging under the Rice noise model. We further extend the ML framework to the maximum a…

Cross-diffusion systems arise as hydrodynamic limits of lattice multi-species interacting particle models. The objective of this work is to provide a numerical scheme for the simulation of the cross-diffusion system identified in [J.…

The study of phenomena such as protein folding and conformational changes in molecules is a central theme in chemical physics. Molecular dynamics (MD) simulation is the primary tool for the study of transition processes in biomolecules, but…

Effective feature interaction modeling is critical for enhancing the accuracy of click-through rate (CTR) prediction in industrial recommender systems. Most of the current deep CTR models resort to building complex network architectures to…

A moving mesh finite difference method based on the moving mesh partial differential equation is proposed for the numerical solution of the 2T model for multi-material, non-equilibrium radiation diffusion equations. The model involves…

In a mixture of linear regression model, the regression coefficients are treated as random vectors that may follow either a continuous or discrete distribution. We propose two Expectation-Maximization (EM) algorithms to estimate this prior…

The prediction of critical heat flux (CHF) using machine learning (ML) approaches has become a highly active research activity in recent years, the goal of which is to build models more accurate than current conventional approaches such as…