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Hauptverfasser: Saremi, Sadra, Kordbacheh, Amirhossein Ahmadkhan
Format: Preprint
Veröffentlicht: 2025
Schlagworte:
Online-Zugang:https://arxiv.org/abs/2509.06574
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author Saremi, Sadra
Kordbacheh, Amirhossein Ahmadkhan
author_facet Saremi, Sadra
Kordbacheh, Amirhossein Ahmadkhan
contents Capturing the dynamics of active particles, i.e., small self-propelled agents that both deform and are deformed by a fluid in which they move is a formidable problem as it requires coupling fine scale hydrodynamics with large scale collective effects. So we present a multi-scale framework that combines the three learning-driven tools to learn in concert within one pipeline. We use high-resolution Lattice Boltzmann snapshots of fluid velocity and particle stresses in a periodic box as input to the learning pipeline. the second step takes the morphology and positions orientations of particles to predict pairwise interaction forces between them with a E(2)-equivariant graph neural network that necessarily respect flat symmetries. Then, a physics-informed neural network further updates these local estimates by summing over them with a stress data using Fourier feature mappings and residual blocks that is additionally regularized with a topological term (introduced by persistent homology) to penalize unrealistically tangled or spurious connections. In concert, these stages deliver an holistic highly-data driven full force network prediction empathizing on the physical underpinnings together with emerging multi-scale structure typical for active matter.
format Preprint
id arxiv_https___arxiv_org_abs_2509_06574
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Topological Regularization for Force Prediction in Active Particle Suspension with EGNN and Persistent Homology
Saremi, Sadra
Kordbacheh, Amirhossein Ahmadkhan
Soft Condensed Matter
Machine Learning
Capturing the dynamics of active particles, i.e., small self-propelled agents that both deform and are deformed by a fluid in which they move is a formidable problem as it requires coupling fine scale hydrodynamics with large scale collective effects. So we present a multi-scale framework that combines the three learning-driven tools to learn in concert within one pipeline. We use high-resolution Lattice Boltzmann snapshots of fluid velocity and particle stresses in a periodic box as input to the learning pipeline. the second step takes the morphology and positions orientations of particles to predict pairwise interaction forces between them with a E(2)-equivariant graph neural network that necessarily respect flat symmetries. Then, a physics-informed neural network further updates these local estimates by summing over them with a stress data using Fourier feature mappings and residual blocks that is additionally regularized with a topological term (introduced by persistent homology) to penalize unrealistically tangled or spurious connections. In concert, these stages deliver an holistic highly-data driven full force network prediction empathizing on the physical underpinnings together with emerging multi-scale structure typical for active matter.
title Topological Regularization for Force Prediction in Active Particle Suspension with EGNN and Persistent Homology
topic Soft Condensed Matter
Machine Learning
url https://arxiv.org/abs/2509.06574