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We propose a projected Wasserstein gradient descent method (pWGD) for high-dimensional Bayesian inference problems. The underlying density function of a particle system of WGD is approximated by kernel density estimation (KDE), which faces…

Machine Learning · Computer Science 2021-02-16 Yifei Wang , Peng Chen , Wuchen Li

Achievement of solutions in Navier-Stokes equation is one of challenging quests, especially for its closure problem. For achievement of particular solutions, there are variety of numerical simulations including Direct Numerical Simulation…

Computational Physics · Physics 2018-11-13 Jinu Lee , Sangseung Lee , Donghyun You

Extracting scientific results from high-energy collider data involves the comparison of data collected from the experiments with synthetic data produced from computationally-intensive simulations. Comparisons of experimental data and…

High Energy Physics - Experiment · Physics 2022-11-23 Matthew Feickert , Mihir Katare , Mark Neubauer , Avik Roy

Objective: Estimation of the global optima of multiple model parameters is valuable in imaging to form a reliable diagnostic image. Given non convexity of the objective function, it is challenging to avoid from different local minima.…

Machine Learning · Computer Science 2022-04-06 Hongmei Zhang , Kai Wang , Yan Zhou , Shadab Momin , Xiaofeng Yang , Mostafa Fatemi , Michael F. Insana

We develop a fast and scalable numerical approach to solve Wasserstein gradient flows (WGFs), particularly suitable for high-dimensional cases. Our approach is to use general reduced-order models, like deep neural networks, to parameterize…

Numerical Analysis · Mathematics 2024-05-24 Yijie Jin , Shu Liu , Hao Wu , Xiaojing Ye , Haomin Zhou

In this paper, we present a deep learning-based (DL-based) algorithm, as a purely mathematical platform, for providing intuitive understanding of the properties of electromagnetic (EM) wave-matter interaction in nanostructures. This…

This paper presents a two-phase method for learning interaction kernels of stochastic many-particle systems. After transforming stochastic trajectories of every particle into the particle density function by the kernel density estimation…

Computational Physics · Physics 2025-01-03 Yangxuan Shi , Wuyue Yang , Liu Hong

We study a system of interacting diffusions that models chemotaxis of biological cells or microorganisms (referred to as particles) in a chemical field that is dynamically modified through the collective contributions from the particles.…

Probability · Mathematics 2019-05-01 Amarjit Budhiraja , Wai-Tong Louis Fan

We develop novel neural network-based implicit particle methods to compute high-dimensional Wasserstein-type gradient flows with linear and nonlinear mobility functions. The main idea is to use the Lagrangian formulation in the…

Numerical Analysis · Mathematics 2023-11-14 Wonjun Lee , Li Wang , Wuchen Li

We derive the divergence-kernel formula for the linear response of random dynamical systems. Specifically, the pathwise expression is for the parameter-derivative of the marginal or stationary density, not an averaged observable. Our…

Dynamical Systems · Mathematics 2025-12-30 Angxiu Ni

Particle-based variational inference offers a flexible way of approximating complex posterior distributions with a set of particles. In this paper we introduce a new particle-based variational inference method based on the theory of…

Machine Learning · Statistics 2019-05-16 Luca Ambrogioni , Umut Guclu , Marcel van Gerven

The well-suited discretization of the Keller-Segel equations for chemotaxis has become a very challenging problem due to the convective nature inherent to them. This paper aims to introduce a new upwind, mass-conservative, positive and…

Numerical Analysis · Mathematics 2023-10-04 Daniel Acosta-Soba , Francisco Guillén-González , J. Rafael Rodríguez-Galván

Recent studies revealed the mathematical connection of deep neural network (DNN) and dynamic system. However, the fundamental principle of DNN has not been fully characterized with dynamic system in terms of optimization and generalization.…

Machine Learning · Computer Science 2021-03-05 Kuo Gai , Shihua Zhang

In this study, we propose a high-performance disparity (depth) estimation method using dual-pixel (DP) images with few parameters. Conventional end-to-end deep-learning methods have many parameters but do not fully exploit disparity…

Computer Vision and Pattern Recognition · Computer Science 2024-11-08 Teppei Kurita , Yuhi Kondo , Legong Sun , Takayuki Sasaki , Sho Nitta , Yasuhiro Hashimoto , Yoshinori Muramatsu , Yusuke Moriuchi

This paper presents a convolutional neural network (CNN)-based deep learning model, inspired from UNet with series of encoder and decoder units with skip connections, for the simulation of microwave-plasma interaction. The microwave…

Computational Physics · Physics 2022-12-21 Mihir Desai , Pratik Ghosh , Ahlad Kumar , Bhaskar Chaudhury

Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

Machine Learning · Computer Science 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

We develop and analyze a stochastic genetic interacting particle method (SGIP) for reaction-diffusion-advection (RDA) equations. The SGIP method employs operator splitting to approximate the advection-diffusion and reaction processes,…

Numerical Analysis · Mathematics 2026-01-07 Boyi Hu , Zhongjian Wang , Jack Xin , Zhiwen Zhang

An active learning procedure called Deep Potential Generator (DP-GEN) is proposed for the construction of accurate and transferable machine learning-based models of the potential energy surface (PES) for the molecular modeling of materials.…

Computational Physics · Physics 2019-03-06 Linfeng Zhang , De-Ye Lin , Han Wang , Roberto Car , Weinan E

``$\Delta$-machine learning" refers to a machine learning approach to bring a property such as a potential energy surface (PES) based on low-level (LL) density functional theory (DFT) energies and gradients to close to a coupled cluster…

Chemical Physics · Physics 2021-05-21 Apurba Nandi , Chen Qu , Paul Houston , Riccardo Conte , Joel M. Bowman

Deep neural networks (DNNs) have been widely applied to solve real-world regression problems. However, selecting optimal network structures remains a significant challenge. This study addresses this issue by linking neuron selection in DNNs…

Computation · Statistics 2025-09-30 Noah Yi-Ting Hung , Li-Hsiang Lin , Vince D. Calhoun