Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle Systems

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Hauptverfasser: Karris, Nicholas, Nikitopoulos, Evangelos A., Kevrekidis, Ioannis G., Lee, Seungjoon, Cloninger, Alexander
Format: Preprint
Veröffentlicht: 2024
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author Karris, Nicholas
Nikitopoulos, Evangelos A.
Kevrekidis, Ioannis G.
Lee, Seungjoon
Cloninger, Alexander
author_facet Karris, Nicholas
Nikitopoulos, Evangelos A.
Kevrekidis, Ioannis G.
Lee, Seungjoon
Cloninger, Alexander
contents We develop an Euler-type method to predict the evolution of a time-dependent probability measure without explicitly learning an operator that governs its evolution. We use linearized optimal transport theory to prove that the measure-valued analog of Euler's method is first-order accurate when the measure evolves ``smoothly.'' In applications of interest, however, the measure is an empirical distribution of a system of stochastic particles whose behavior is only accessible through an agent-based micro-scale simulation. In such cases, this empirical measure does not evolve smoothly because the individual particles move chaotically on short time scales. However, we can still perform our Euler-type method, and when the particles' collective distribution approximates a measure that \emph{does} evolve smoothly, we observe that the algorithm still accurately predicts this collective behavior over relatively large Euler steps, thus reducing the number of micro-scale steps required to step forward in time. In this way, our algorithm provides a ``macro-scale timestepper'' that requires less micro-scale data to still maintain accuracy, which we demonstrate with three illustrative examples: a biological agent-based model, a model of a PDE, and a model of Langevin dynamics.
format Preprint
id arxiv_https___arxiv_org_abs_2408_01857
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle Systems
Karris, Nicholas
Nikitopoulos, Evangelos A.
Kevrekidis, Ioannis G.
Lee, Seungjoon
Cloninger, Alexander
Numerical Analysis
Machine Learning
Optimization and Control
We develop an Euler-type method to predict the evolution of a time-dependent probability measure without explicitly learning an operator that governs its evolution. We use linearized optimal transport theory to prove that the measure-valued analog of Euler's method is first-order accurate when the measure evolves ``smoothly.'' In applications of interest, however, the measure is an empirical distribution of a system of stochastic particles whose behavior is only accessible through an agent-based micro-scale simulation. In such cases, this empirical measure does not evolve smoothly because the individual particles move chaotically on short time scales. However, we can still perform our Euler-type method, and when the particles' collective distribution approximates a measure that \emph{does} evolve smoothly, we observe that the algorithm still accurately predicts this collective behavior over relatively large Euler steps, thus reducing the number of micro-scale steps required to step forward in time. In this way, our algorithm provides a ``macro-scale timestepper'' that requires less micro-scale data to still maintain accuracy, which we demonstrate with three illustrative examples: a biological agent-based model, a model of a PDE, and a model of Langevin dynamics.
title Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle Systems
topic Numerical Analysis
Machine Learning
Optimization and Control
url https://arxiv.org/abs/2408.01857