Active learning-based variance reduction for Monte Carlo simulations: A feasibility study for the nanodosimetry around a gold nanoparticle

Fuente: arXiv
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Autori principali: Thomas, Leo, Schwarze, Miriam, Rabus, Hans
Natura: Preprint
Pubblicazione: 2025
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author Thomas, Leo
Schwarze, Miriam
Rabus, Hans
author_facet Thomas, Leo
Schwarze, Miriam
Rabus, Hans
contents Objective: This work presents a data-driven importance sampling-based variance reduction (VR) scheme inspired by active learning. The method is applied to the estimation of an optimal impact-parameter distribution in the calculation of ionization clusters around a gold nanoparticle (NP). Here, such an optimal importance distribution can not be inferred from principle. Approach: An iterative optimization procedure is set up that uses a Gaussian Process Sampler to propose optimal sampling distributions based on a loss function. The loss is constructed based on appropriate heuristics. The optimization code obtains estimates of the number of ionization clusters in shells around the NP by interfacing with a Geant4 simulation via a dedicated Transmission Control Protocol (TCP) interface. Main results: It is shown that the so-derived impact-parameter distribution easily outperforms the actual, uniform irradiation case. The results resemble those obtained with other VR schemes but do still slightly overestimate background contributions. Significance: While the method presented is a proof-of-principle, it provides a novel method of estimating importance distributions in ill-posed scenarios. The presented TCP interface described here is a simple and efficient method to expose compiled Geant4 code to other scripts, written for example, in Python.
format Preprint
id arxiv_https___arxiv_org_abs_2511_00563
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Active learning-based variance reduction for Monte Carlo simulations: A feasibility study for the nanodosimetry around a gold nanoparticle
Thomas, Leo
Schwarze, Miriam
Rabus, Hans
Medical Physics
Objective: This work presents a data-driven importance sampling-based variance reduction (VR) scheme inspired by active learning. The method is applied to the estimation of an optimal impact-parameter distribution in the calculation of ionization clusters around a gold nanoparticle (NP). Here, such an optimal importance distribution can not be inferred from principle. Approach: An iterative optimization procedure is set up that uses a Gaussian Process Sampler to propose optimal sampling distributions based on a loss function. The loss is constructed based on appropriate heuristics. The optimization code obtains estimates of the number of ionization clusters in shells around the NP by interfacing with a Geant4 simulation via a dedicated Transmission Control Protocol (TCP) interface. Main results: It is shown that the so-derived impact-parameter distribution easily outperforms the actual, uniform irradiation case. The results resemble those obtained with other VR schemes but do still slightly overestimate background contributions. Significance: While the method presented is a proof-of-principle, it provides a novel method of estimating importance distributions in ill-posed scenarios. The presented TCP interface described here is a simple and efficient method to expose compiled Geant4 code to other scripts, written for example, in Python.
title Active learning-based variance reduction for Monte Carlo simulations: A feasibility study for the nanodosimetry around a gold nanoparticle
topic Medical Physics
url https://arxiv.org/abs/2511.00563