A DeepParticle method for learning and generating aggregation patterns in multi-dimensional Keller–Segel chemotaxis systems

Abstract

We study a regularized interacting particle method for computing aggregation patterns and near singular solutions of a Keller–Segel (KS) chemotaxis system in two and three space dimensions, then further develop the DeepParticle method to learn and generate solutions under variations of physical parameters. The KS solutions are approximated as empirical measures of particles that self-adapt to the high gradient part of solutions. We utilize the expressiveness of deep neural networks (DNNs) to represent the transform of samples from a given initial (source) distribution to a target distribution at a finite time T prior to blowup without assuming the invertibility of the transforms. In the training stage, we update the network weights by minimizing a discrete 2-Wasserstein distance between the input and target empirical measures. To reduce the computational cost, we develop an iterative divide-and-conquer algorithm to find the optimal transition matrix in the Wasserstein distance. We present numerical results of the DeepParticle framework for successful learning and generation of KS dynamics in the presence of laminar and chaotic flows. The physical parameter in this work is either the evolution time or the flow amplitude in the advection-dominated regime.