Neural optimization of the most probable paths of 3D active Brownian particles

Fuente: arXiv
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Main Authors: Zheng, Bin, Xiong, Zhongqiang, Li, Changhao, Hou, Zhanglin, Zhang, Ziluo, Xu, Xinpeng, Lin, Li-Shing, Ishimoto, Kenta, Yasuda, Kento, Komura, Shigeyuki
Format: Preprint
Published: 2025
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author Zheng, Bin
Xiong, Zhongqiang
Li, Changhao
Hou, Zhanglin
Zhang, Ziluo
Xu, Xinpeng
Lin, Li-Shing
Ishimoto, Kenta
Yasuda, Kento
Komura, Shigeyuki
author_facet Zheng, Bin
Xiong, Zhongqiang
Li, Changhao
Hou, Zhanglin
Zhang, Ziluo
Xu, Xinpeng
Lin, Li-Shing
Ishimoto, Kenta
Yasuda, Kento
Komura, Shigeyuki
contents We develop a variational neural-network framework to determine the most probable path (MPP) of a 3D active Brownian particle (ABP) by directly minimizing the Onsager-Machlup integral (OMI). To obtain the OMI, we use the Onsager-Machlup variational principle for active systems and construct the Rayleighian of the ABP by including its active power. This approach reveals geometric transitions of the MPP from in-plane I- and U-shaped paths to 3D helical paths as the final time and net displacement are varied. We also demonstrate that the initial and final boundary conditions have a significant impact on the MPPs. Our results show that neural optimization combined with the Onsager-Machlup variational principle provides an efficient and versatile framework for exploring optimal transition pathways in active and nonequilibrium systems.
format Preprint
id arxiv_https___arxiv_org_abs_2511_16178
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Neural optimization of the most probable paths of 3D active Brownian particles
Zheng, Bin
Xiong, Zhongqiang
Li, Changhao
Hou, Zhanglin
Zhang, Ziluo
Xu, Xinpeng
Lin, Li-Shing
Ishimoto, Kenta
Yasuda, Kento
Komura, Shigeyuki
Soft Condensed Matter
Statistical Mechanics
Biological Physics
We develop a variational neural-network framework to determine the most probable path (MPP) of a 3D active Brownian particle (ABP) by directly minimizing the Onsager-Machlup integral (OMI). To obtain the OMI, we use the Onsager-Machlup variational principle for active systems and construct the Rayleighian of the ABP by including its active power. This approach reveals geometric transitions of the MPP from in-plane I- and U-shaped paths to 3D helical paths as the final time and net displacement are varied. We also demonstrate that the initial and final boundary conditions have a significant impact on the MPPs. Our results show that neural optimization combined with the Onsager-Machlup variational principle provides an efficient and versatile framework for exploring optimal transition pathways in active and nonequilibrium systems.
title Neural optimization of the most probable paths of 3D active Brownian particles
topic Soft Condensed Matter
Statistical Mechanics
Biological Physics
url https://arxiv.org/abs/2511.16178