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In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…

Computational Physics · Physics 2015-06-04 Giacomo Mazzi , Yannick De Decker , Giovanni Samaey

Mutual coupling is a dominant systematic effect in dense reflector arrays, imprinting direction-dependent and frequency-dependent structure on embedded element patterns (EEPs) and currently limiting sensitivity in precision radio…

Instrumentation and Methods for Astrophysics · Physics 2026-04-14 Quentin Gueuning , Eloy de Lera Acedo , Anthony Keith Brown , Nicolas Fagnoni

Large Multimodal Models (LMMs) that process 3D data typically rely on heavy, pre-trained visual encoders to extract geometric features. While recent 2D LMMs have begun to eliminate such encoders for efficiency and scalability, extending…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Guofeng Mei , Wei Lin , Luigi Riz , Yujiao Wu , Yiming Wang , Fabio Poiesi

We have extended the multilevel summation (MLS) method, originally developed to evaluate long-range Coulombic interactions in molecular dynamics (MD) simulations [Skeel et al., J. Comput. Chem., 23, 673 (2002)], to handle dispersion…

Materials Science · Physics 2014-01-16 Daniel Tameling , Paul Springer , Paolo Bientinesi , Ahmed E. Ismail

We present a fast, direct and adaptive Poisson solver for complex two-dimensional geometries based on potential theory and fast multipole acceleration. More precisely, the solver relies on the standard decomposition of the solution as the…

Numerical Analysis · Mathematics 2017-05-24 Travis Askham , Antoine J Cerfon

Fast multipole methods (FMM) on distributed mem- ory have traditionally used a bulk-synchronous model of com- municating the local essential tree (LET) and overlapping it with computation of the local data. This could be perceived as an…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-30 Mustafa AbdulJabbar , Rio Yokota , David Keyes

Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…

Chemical Physics · Physics 2020-11-03 Mike Devereux , Marco Pezzella , Shampa Raghunathan , Markus Meuwly

Multiple modalities can provide more valuable information than single one by describing the same contents in various ways. Hence, it is highly expected to learn effective joint representation by fusing the features of different modalities.…

Computer Vision and Pattern Recognition · Computer Science 2018-10-09 Di Hu , Feiping Nie , Xuelong Li

We present a computational method for solving the coupled problem of chemical transport in a fluid (blood) with binding/unbinding of the chemical to/from cellular (platelet) surfaces in contact with the fluid, and with transport of the…

Numerical Analysis · Mathematics 2015-09-23 Varun Shankar , Grady B. Wright , Aaron L. Fogelson , Robert M. Kirby

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Chemical Physics · Physics 2024-10-29 Pablo Grobas Illobre , Piero Lafiosca , Luca Bonatti , Tommaso Giovannini , Chiara Cappelli

We present a Lagrangian Heterogeneous Multiscale Method (LHMM) for simulating the non-Newtonian rheology of polymer melts in complex two-dimensional flows. The method couples Dissipative Particle Dynamics (DPD) at the microscale with a…

Fluid Dynamics · Physics 2025-12-19 Edgar A. Patiño-Nariño , Nicolas Moreno , Marco Ellero

A new semi-analytical solution to the advection-dispersion-reaction equation for modelling solute transport in layered porous media is derived using the Laplace transform. Our solution approach involves introducing unknown functions…

Numerical Analysis · Mathematics 2020-09-29 Elliot J. Carr

Masked Diffusion Models (MDMs) offer a promising alternative to autoregressive language models by enabling parallel token generation and bidirectional context modeling. However, their inference speed is significantly limited by the…

Machine Learning · Computer Science 2026-04-08 Satyam Goyal , Kushal Patel , Tanush Mittal , Arjun Laxman

LiDAR and camera fusion techniques are promising for achieving 3D object detection in autonomous driving. Most multi-modal 3D object detection frameworks integrate semantic knowledge from 2D images into 3D LiDAR point clouds to enhance…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Shaoqing Xu , Fang Li , Ziying Song , Jin Fang , Sifen Wang , Zhi-Xin Yang

This paper proposes a mode multigrid (MMG) method, and applies it to accelerate the convergence of the steady state flow on unstructured grids. The dynamic mode decomposition (DMD) technique is used to analyze the convergence process of…

Computational Physics · Physics 2018-02-27 Yilang Liu , Weiwei Zhang , Jiaqing Kou

This paper presents a fast wavefield evaluation method for two-dimensional wave scattering problems. The proposed method is based on a modified version of proxy-surface-accelerated interpolative decomposition, making it effective even if…

Numerical Analysis · Mathematics 2025-03-05 Yasuhiro Matsumoto

The deployment of large language models (LLMs) is often constrained by memory bandwidth, where the primary bottleneck is the cost of transferring model parameters from the GPU's global memory to its registers. When coupled with custom…

Machine Learning · Computer Science 2025-01-20 Han Guo , William Brandon , Radostin Cholakov , Jonathan Ragan-Kelley , Eric P. Xing , Yoon Kim

A Multistage Full Matching disparity estimation scheme (MFM) is proposed in this work. We demonstrate that decouple all similarity scores directly from the low-resolution 4D volume step by step instead of estimating low-resolution 3D cost…

Computer Vision and Pattern Recognition · Computer Science 2020-12-11 Hong Zhang , Shenglun Chen , Zhihui Wang , Haojie Li , Wanli Ouyang

We consider within a finite element approach the usage of different adaptively refined meshes for different variables in systems of nonlinear, time-depended PDEs. To resolve different solution behaviours of these variables, the meshes can…

Numerical Analysis · Mathematics 2010-05-27 Thomas Witkowski , Axel Voigt

We introduce a rapid, accurate framework for computing atomic migration barriers in crystals by combining universal machine learning force fields (MLFFs) with 3D potential energy surface sampling and interpolation. Our method suppresses…

Materials Science · Physics 2025-10-01 Hanwen Kang , Tenglong Lu , Zhanbin Qi , Jiandong Guo , Sheng Meng , Miao Liu