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Simplified representations of macromolecules help in rationalising and understanding the outcome of atomistic simulations, and serve to the construction of effective, coarse-grained models. The number and distribution of coarse-grained…

Soft Condensed Matter · Physics 2021-10-27 Roberto Menichetti , Marco Giulini , Raffaello Potestio

In this work, we present a novel nonlocal nonlinear coarse grid approximation using a machine learning algorithm. We consider unsaturated and two-phase flow problems in heterogeneous and fractured porous media, where mathematical models are…

Numerical Analysis · Mathematics 2020-04-22 Maria Vasilyeva , Wing T. Leung , Eric T. Chung , Yalchin Efendiev , Mary Wheeler

We study array imaging of a sparse scene of point-like sources or scatterers in a homogeneous medium. For source imaging the sensors in the array are receivers that collect measurements of the wave field. For imaging scatterers the array…

Numerical Analysis · Mathematics 2015-07-03 Liliana Borcea , Ilker Kocyigit

We study the coherence in time and space of electromagnetic fields propagated through complex media. Whether for localization, imaging or telecommunication, the development of dedicated numerical techniques is generally based on the…

Computational Physics · Physics 2022-04-21 Thomas Fromenteze , Matthieu Davy , Okan Yurduseven , Yann Marie-Joseph , Cyril Decroze

Spatial-temporal graph representations play a crucial role in urban sensing applications, including traffic analysis, human mobility behavior modeling, and citywide crime prediction. However, a key challenge lies in the noisy and sparse…

Machine Learning · Computer Science 2025-08-15 Qianru Zhang , Xinyi Gao , Haixin Wang , Dong Huang , Siu-Ming Yiu , Hongzhi Yin

In this paper, we show empirical evidence on how to construct the optimal feature selection or input representation used by the input layer of a feedforward neural network for the propose of forecasting spatial-temporal signals. The…

Neural and Evolutionary Computing · Computer Science 2019-07-24 Eurico Covas , Emmanouil Benetos

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

Structured Cartesian grids are a fundamental component in numerical simulations. Although these grids facilitate straightforward discretization schemes, their na\"{i}ve use in sparse domains leads to excessive memory overhead and…

Computational Engineering, Finance, and Science · Computer Science 2025-12-15 Fan Gu , Xiangyu Hu

We show that the class of conditional distributions satisfying the coarsening at random (CAR) property for discrete data has a simple and robust algorithmic description based on randomized uniform multicovers: combinatorial objects…

Statistics Theory · Mathematics 2023-05-30 Richard D. Gill , Peter D. Grünwald

The Rapid Carbon Assessment, conducted by the U.S. Department of Agriculture, was implemented in order to obtain a representative sample of soil organic carbon across the contiguous United States. In conjunction with a statistical model,…

Applications · Statistics 2023-11-21 Paul A. Parker , Bruno Sansó

Population imaging studies rely upon good quality medical imagery before downstream image quantification. This study provides an automated approach to assess image quality from cardiovascular magnetic resonance (CMR) imaging at scale. We…

Image and Video Processing · Electrical Eng. & Systems 2025-10-28 Shahabedin Nabavi , Hossein Simchi , Mohsen Ebrahimi Moghaddam , Alejandro F. Frangi , Ahmad Ali Abin

In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…

Numerical Analysis · Mathematics 2016-04-20 Vagelis Harmandaris , Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plecháč

Coarse-Graining (CG) models are low resolution approximation of high resolution models, such as all-atomic (AA) models. An effective CG model is expected to reproduce equilibrium values of sufficient physical quantities of its AA model,…

Statistical Mechanics · Physics 2015-02-10 Shijing Lu , Xin Zhou

Full 3D modelling of time-domain electromagnetic data requires tremendous computational resources. Consequently, simplified physics models prevail in geophysics, using a much faster but approximate (1D) forward model. We propose to join the…

Computational Physics · Physics 2024-09-02 Wouter Deleersnyder , Evert Slob

Purpose: The motion of the common carotid artery tissue layers along the vessel axis during the cardiac cycle, observed in ultrasound imaging, is associated with the presence of established cardiovascular risk factors. However, the vast…

Medical Physics · Physics 2020-07-27 Guillaume Zahnd , Kozue Saito , Kazuyuki Nagatsuka , Yoshito Otake , Yoshinobu Sato

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 Shu Wang , Yanbo Gao , Shuai Li , Chong Lv , Xun Cai , Chuankun Li , Hui Yuan , Jinglin Zhang

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

This paper proposes a novel heterogeneous grid convolution that builds a graph-based image representation by exploiting heterogeneity in the image content, enabling adaptive, efficient, and controllable computations in a convolutional…

Computer Vision and Pattern Recognition · Computer Science 2021-04-23 Ryuhei Hamaguchi , Yasutaka Furukawa , Masaki Onishi , Ken Sakurada

Identifying an appropriate covariance function is one of the primary interests in spatial and spatio-temporal statistics because it allows researchers to analyze the dependence structure of the random process. For this purpose, spatial…

Methodology · Statistics 2025-02-04 Jongwook Kim , Chunfeng Huang , Nicholas Bussberg

In this study we present a novel computational model for unprecedented simulations of the whole cardiac electrophysiology. According to the heterogeneous electrophysiologic properties of the heart, the whole cardiac geometry is decomposed…

Medical Physics · Physics 2022-03-14 Giulio Del Corso , Roberto Verzicco , Francesco Viola