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Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…

Chemical Physics · Physics 2022-08-09 Xiangyun Lei , Andrew J. Medford

Probabilistic Manifold Decomposition (PMD)\cite{doi:10.1137/25M1738863}, developed in our earlier work, provides a nonlinear model reduction by embedding high-dimensional dynamics onto low-dimensional probabilistic manifolds. The PMD has…

Numerical Analysis · Mathematics 2026-01-13 Jiaming Guo , Dunhui Xiao

Seismic imaging from sparsely acquired data faces challenges such as low image quality, discontinuities, and migration swing artifacts. Existing convolutional neural network (CNN)-based methods struggle with complex feature distributions…

Geophysics · Physics 2024-08-01 Xingchen Shi , Shijun Cheng , Weijian Mao , Wei Ouyang

We consider the problem of detecting multiple changes in multiple independent time series. The search for the best segmentation can be expressed as a minimization problem over a given cost function. We focus on dynamic programming…

Methodology · Statistics 2024-05-20 Liudmila Pishchagina , Guillem Rigaill , Vincent Runge

Underwater images often suffer from color distortion and low contrast resulting in various image types, due to the scattering and absorption of light by water. While it is difficult to obtain high-quality paired training samples with a…

Computer Vision and Pattern Recognition · Computer Science 2023-08-11 Pan Mu , Hanning Xu , Zheyuan Liu , Zheng Wang , Sixian Chan , Cong Bai

Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport…

Fluid Dynamics · Physics 2025-10-22 Marina Echeverria Ferrero , Nicolas Moreno , Marco Ellero

Accurate modeling is essential in integer-valued real phenomena, including the distribution of entire data, zero-inflated (ZI) data, and discrete exceedances. The Poisson and Negative Binomial distributions, along with their ZI variants,…

Methodology · Statistics 2025-10-20 Touqeer Ahmad , Irshad Ahmad Arshad

We present the Gaussian process dynamical mixture model (GPDMM) and show its utility in single-example learning of human motion data. The Gaussian process dynamical model (GPDM) is a form of the Gaussian process latent variable model…

Machine Learning · Computer Science 2025-06-18 Jesse St. Amand , Leonardo Gizzi , Martin A. Giese

Detection and modeling of change-points in time-series can be considerably challenging. In this paper we approach this problem by incorporating the class of Dynamic Generalized Linear Models (DGLM) into the well know class of Product…

With the increasing availability of open-source robotic data, imitation learning has become a promising approach for both manipulation and locomotion. Diffusion models are now widely used to train large, generalized policies that predict…

Machine Learning · Computer Science 2025-12-15 Shashank Hegde , Satyajeet Das , Gautam Salhotra , Gaurav S. Sukhatme

The efficiency of multi-agent systems driven by large language models (LLMs) largely hinges on their communication topology. However, designing an optimal topology is a non-trivial challenge, as it requires balancing competing objectives…

Computation and Language · Computer Science 2026-05-19 Eric Hanchen Jiang , Mengting Li , Guancheng Wan , Sophia Yin , Yuchen Wu , Xiao Liang , Xinfeng Li , Yizhou Sun , Wei Wang , Kai-Wei Chang , Ying Nian Wu

3D Gaussian Splatting, known for enabling high-quality static scene reconstruction with fast rendering, is increasingly being applied to multi-view dynamic scene reconstruction. A common strategy involves learning a deformation field to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-26 Han Jiao , Jiakai Sun , Yexing Xu , Lei Zhao , Wei Xing , Huaizhong Lin

Complex chaotic dynamics, seen in natural and industrial systems like turbulent flows and weather patterns, often span vast spatial domains with interactions across scales. Accurately capturing these features requires a high-dimensional…

Chaotic Dynamics · Physics 2024-10-03 C. Ricardo Constante-Amores , Alec J. Linot , Michael D. Graham

We present an approach for adapting the Gaussian dispersion analysis (GDA) of optical materials to time-domain simulations. Within a GDA model, the imaginary part of a measured dielectric function is presented as a sum of Gaussian…

Optics · Physics 2022-07-20 Ludmila Prokopeva , Samuel Peana , Alexander Kildishev

In this article, we introduce a three-precision formulation of the General Alternating-Direction Implicit method (GADI) designed to accelerate the solution of large-scale sparse linear systems $Ax=b$. GADI is a framework that can represent…

Numerical Analysis · Mathematics 2026-01-01 Jifeng Ge , Bastien Vieublé , Juan Zhang

Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent…

Soft Condensed Matter · Physics 2011-11-09 Rudolf M. Füchslin , Harold Fellermann , Anders Eriksson , Hans-Joachim Ziock

In extreme environments such as underwater exploration and post-disaster rescue, tethered robots require continuous navigation while avoiding cable entanglement. Traditional planners struggle in these lifelong planning scenarios due to…

Robotics · Computer Science 2026-03-31 Yifu Tian , Xinhang Xu , Thien-Minh Nguyen , Muqing Cao

The univariate piecing-together approach (PT) fits a univariate generalized Pareto distribution (GPD) to the upper tail of a given distribution function in a continuous manner. We propose a multivariate extension. First it is shown that an…

Statistics Theory · Mathematics 2012-05-09 Stefan Aulbach , Verena Bayer , Michael Falk

Diffusion models (DMs) excel in unconditional generation, as well as on applications such as image editing and restoration. The success of DMs lies in the iterative nature of diffusion: diffusion breaks down the complex process of mapping…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Beomsu Kim , Jaemin Kim , Jeongsol Kim , Jong Chul Ye

The multiscale patch scheme is built from given small micro-scale simulations of complicated physical processes to empower large macro-scale simulations. By coupling small patches of simulations over unsimulated spatial gaps, large savings…

Computational Physics · Physics 2019-12-18 J. E. Bunder , J. Divahar , Ioannis G. Kevrekidis , Trent W. Mattner , A. J. Roberts