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Oxyhydrides have drawn attention because of their fast ion conductivity and strong reducing properties. Recently, hydride ion migration in SrTiO$_{3-x}$H$_{x}$ oxyhydride crystals has been investigated, showing that hydride ion migration is…

Materials Science · Physics 2021-06-15 Hiroya Nakata

A fast artificial neural network is developed for the prediction of cosmic ray transport in turbulent astrophysical magnetic fields. The setup is trained and tested on bespoke datasets that are constructed with the aid of test-particle…

High Energy Astrophysical Phenomena · Physics 2023-07-13 D. I. Palade

Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…

Chemical Physics · Physics 2023-08-07 Weiluo Ren , Weizhong Fu , Xiaojie Wu , Ji Chen

We present a reduction of Milestoning (ReM) algorithm to analyze the high-dimensional Milestoning kinetic network. The algorithm reduces the Milestoning network to low dimensions but preserves essential kinetic information, such as local…

Chemical Physics · Physics 2024-10-08 Ru Wang , Xiaojun Ji , Hao Wang , Wenjian Liu

We employ neural networks to improve and speed up optical force calculations for dielectric particles. The network is first trained on a limited set of data obtained through accurate light scattering calculations, based on the Transition…

Convolutional neural networks (CNNs) have been employed along with Variational Monte Carlo methods for finding the ground state of quantum many-body spin systems with great success. In order to do so, however, a CNN with only linearly many…

Quantum Physics · Physics 2022-10-04 Yilong Ju , Shah Saad Alam , Jonathan Minoff , Fabio Anselmi , Han Pu , Ankit Patel

Convolution Neural Networks (CNN) are well-suited to model the nonlinear relationship between the microscale geometry of porous media and the corresponding flow distribution, thereby accurately and efficiently coupling the flow behavior at…

Fluid Dynamics · Physics 2023-12-25 Vishal Srikanth , Andrey V. Kuznetsov

Due to climate-induced changes, many habitats are experiencing range shifts away from their traditional geographic locations (Piguet, 2011). We propose a solution to accurately model whether bird species are present in a specific habitat…

Artificial Intelligence · Computer Science 2025-07-16 Emir Durakovic , Min-Hong Shih

We propose a geometry-to-flow diffusion model that utilizes obstacle shape as input to predict a flow field around an obstacle. The model is based on a learnable Markov transition kernel to recover the data distribution from the Gaussian…

Fluid Dynamics · Physics 2025-12-30 Jiajun Hu , Zhen Lu , Yue Yang

Markov chain Monte Carlo methods have become popular in statistics as versatile techniques to sample from complicated probability distributions. In this work, we propose a method to parameterize and train transition kernels of Markov chains…

Machine Learning · Computer Science 2024-06-05 Evgenii Egorov , Ricardo Valperga , Efstratios Gavves

The reversible jump Markov chain Monte Carlo (RJMCMC) method offers an across-model simulation approach for Bayesian estimation and model comparison, by exploring the sampling space that consists of several models of possibly varying…

Methodology · Statistics 2018-10-16 Lampros Bouranis , Nial Friel , Florian Maire

Naive Bayes Nearest Neighbour (NBNN) is a simple and effective framework which addresses many of the pitfalls of K-Nearest Neighbour (KNN) classification. It has yielded competitive results on several computer vision benchmarks. Its central…

Machine Learning · Computer Science 2016-07-12 Daniel Jiwoong Im , Graham W. Taylor

Adaptive control is subject to stability and performance issues when a learned model is used to enhance its performance. This paper thus presents a deep learning-based adaptive control framework for nonlinear systems with…

Machine Learning · Computer Science 2021-10-05 Hiroyasu Tsukamoto , Soon-Jo Chung , Jean-Jacques Slotine

This paper introduces a Bayesian framework that combines Markov chain Monte Carlo (MCMC) sampling, dimensionality reduction, and neural density estimation to efficiently handle inverse problems that (i) must be solved multiple times, and…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Giacomo Bottacini , Matteo Torzoni , Andrea Manzoni

Sequential Monte Carlo (SMC), or particle filtering, is a popular class of methods for sampling from an intractable target distribution using a sequence of simpler intermediate distributions. Like other importance sampling-based methods,…

Machine Learning · Computer Science 2015-11-18 Shixiang Gu , Zoubin Ghahramani , Richard E. Turner

Motion Cueing Algorithms (MCAs) encode the movement of simulated vehicles into movement that can be reproduced with a motion simulator to provide a realistic driving experience within the capabilities of the machine. This paper introduces a…

Robotics · Computer Science 2025-04-11 Camilo Gonzalez Arango , Houshyar Asadi , Mohammad Reza Chalak Qazani , Chee Peng Lim

Despite the outstanding performance of convolutional neural networks (CNNs) for many vision tasks, the required computational cost during inference is problematic when resources are limited. In this context, we propose Convolutional Neural…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Adria Ruiz , Jakob Verbeek

This paper introduces a novel approach that integrates future closest point predictions into the distance constraints of a collision avoidance controller, leveraging convex hulls with closest point distance calculations. By addressing…

Diffusion models excel at creating visually-convincing images, but they often struggle to meet subtle constraints inherent in the training data. Such constraints could be physics-based (e.g., satisfying a PDE), geometric (e.g., respecting…

Machine Learning · Computer Science 2025-04-11 Berthy T. Feng , Ricardo Baptista , Katherine L. Bouman

A boundary-based net-exchange Monte Carlo method was introduced in [1] that allows to bypass the difficulties encountered by standard Monte Carlo algorithms in the limit of optically thick absorption (and/or for quasi-isothermal…

Computational Physics · Physics 2019-03-06 V. Eymet , R. Fournier , S. Blanco , J. L. Dufresne