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We propose a general methodology for calculating the self-diffusion tensor from molecular dynamics for a liquid with a liquid-gas or liquid-solid interface. The standard method used in bulk fluids, based on computing the mean square…

化学物理 · 物理学 2007-05-23 Pu Liu , Edward Harder , B. J. Berne

Global climate models (GCMs), typically run at ~100-km resolution, capture large-scale environmental conditions but cannot resolve convection and cloud processes at kilometer scales. Convection-permitting models offer higher-resolution…

大气与海洋物理 · 物理学 2026-05-12 Hungjui Yu , Lander Ver Hoef , Kristen L. Rasmussen , Imme Ebert-Uphoff

Recent research has focused on designing neural samplers that amortize the process of sampling from unnormalized densities. However, despite significant advancements, they still fall short of the state-of-the-art MCMC approach, Parallel…

Accurate prediction of physical fields is critical in various engineering applications, including thermal management in electronic systems, airfoil shape optimization in aerospace, and flow field control in hypersonic vehicles. This study…

流体动力学 · 物理学 2026-03-12 Yuan Jia , Chi Zhang , Hao Ma , Qiao Zhang , Kai Liu , Chih-Yung Wen

Travel mode choice (TMC) prediction, which can be formulated as a classification task, helps in understanding what makes citizens choose different modes of transport for individual trips. This is also a major step towards fostering…

机器学习 · 计算机科学 2024-04-23 Paweł Golik , Maciej Grzenda , Elżbieta Sienkiewicz

In this study, we explore mixed-dimensional Thermo-Hydro-Mechanical (THM) models in fractured porous media accounting for Coulomb frictional contact at matrix fracture interfaces. The simulation of such models plays an important role in…

数值分析 · 数学 2024-01-24 Jerome Droniou , Mohamed Laaziri , Roland Masson

As global climate change intensifies, accurate weather forecasting has become increasingly important, affecting agriculture, energy management, environmental protection, and daily life. This study introduces a hybrid model combining…

机器学习 · 计算机科学 2024-10-22 Yuhao Gong , Yuchen Zhang , Fei Wang , Chi-Han Lee

The mass flux of a low-density granular binary mixture obtained previously by solving the Boltzmann equation by means of the Chapman-Enskog method is considered further. As in the elastic case, the associated transport coefficients $D$,…

统计力学 · 物理学 2013-06-27 Vicente Garzó , J. Aaron Murray , Francisco Vega Reyes

Total column water vapor is an important factor for the weather and climate. This study apply deep learning based multiple regression to map the TCWV with elements that can improve spatiotemporal prediction. In this study, we predict the…

信号处理 · 电气工程与系统科学 2019-12-18 Daouda Diouf , Awa Niang , Sylvie Thiria

The traffic matrix estimation (TME) problem has been widely researched for decades of years. Recent progresses in deep generative models offer new opportunities to tackle TME problems in a more advanced way. In this paper, we leverage the…

机器学习 · 计算机科学 2024-10-22 Xinyu Yuan , Yan Qiao , Pei Zhao , Rongyao Hu , Benchu Zhang

Diffusion models are widely used in applications ranging from image generation to inverse problems. However, training diffusion models typically requires clean ground-truth images, which are unavailable in many applications. We introduce…

图像与视频处理 · 电气工程与系统科学 2025-05-20 Chicago Y. Park , Shirin Shoushtari , Hongyu An , Ulugbek S. Kamilov

Diffusion models achieve remarkable success in processing images and text, and have been extended to special domains such as time series forecasting (TSF). Existing diffusion-based approaches for TSF primarily focus on modeling…

计算与语言 · 计算机科学 2025-04-29 Chen Su , Yuanhe Tian , Yan Song

Maximum likelihood (ML) learning for energy-based models (EBMs) is challenging, partly due to non-convergence of Markov chain Monte Carlo.Several variations of ML learning have been proposed, but existing methods all fail to achieve both…

机器学习 · 统计学 2023-04-24 Xinwei Zhang , Zhiqiang Tan , Zhijian Ou

Discrete diffusion models (DDMs) are a powerful class of generative models for categorical data, but they typically require many function evaluations for a single sample, making inference expensive. Existing acceleration methods either rely…

机器学习 · 计算机科学 2025-12-16 Yansong Gao , Yu Sun

We present an effective stochastic advection-diffusion-reaction (SADR) model that explains incomplete mixing typically observed in transport with bimolecular reactions. Unlike traditional advection-dispersion-reaction models, the SADR model…

流体动力学 · 物理学 2018-03-20 Alexandre M. Tartakovsky , David Barajas-Solano

Coupled nonlinear system of reaction-diffusion equations describing multi-component (species) interactions with heterogeneous coefficients is considered. Finite volume method based approximation for the space is used to construct…

数值分析 · 数学 2022-09-13 Maria Vasilyeva , Alexey Sadovski , D. Palaniappan

Diffusion models have demonstrated significant potential in achieving state-of-the-art performance across various text generation tasks. In this systematic study, we investigate their application to the table-to-text problem by adapting the…

计算与语言 · 计算机科学 2024-09-24 Aleksei S. Krylov , Oleg D. Somov

Image diffusion distillation achieves high-fidelity generation with very few sampling steps. However, applying these techniques directly to video diffusion often results in unsatisfactory frame quality due to the limited visual quality in…

计算机视觉与模式识别 · 计算机科学 2024-10-29 Yuanhao Zhai , Kevin Lin , Zhengyuan Yang , Linjie Li , Jianfeng Wang , Chung-Ching Lin , David Doermann , Junsong Yuan , Lijuan Wang

Atomistic simulations of multi-component systems require accurate descriptions of interatomic interactions to resolve details in the energy of competing phases. A particularly challenging case are topologically close-packed (TCP) phases…

We present Bayesian Diffusion Models (BDM), a prediction algorithm that performs effective Bayesian inference by tightly coupling the top-down (prior) information with the bottom-up (data-driven) procedure via joint diffusion processes. We…

计算机视觉与模式识别 · 计算机科学 2024-04-23 Haiyang Xu , Yu Lei , Zeyuan Chen , Xiang Zhang , Yue Zhao , Yilin Wang , Zhuowen Tu