# Application of machine learning technique for a fast forecast of aggregation kinetics in space-inhomogeneous systems

arXiv: https://arxiv.org/abs/2312.04660 · HTML: https://mlsanity.com/paper/2312.04660/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 5 of its 35 references that are in the map.
- First posted on arXiv 7 Dec 2023.

## Builds on (most cited first, 5 of 5)

- [U-Net: Convolutional Networks for Biomedical Image Segmentation](https://mlsanity.com/paper/1505.04597/) (2015)
- [Batch Normalization: Accelerating Deep Network Training by Reducing Internal Covariate Shift](https://mlsanity.com/paper/1502.03167/) (2015)
- [Density estimation using Real NVP](https://mlsanity.com/paper/1605.08803/) (2016)
- [Normalizing Flows for Probabilistic Modeling and Inference](https://mlsanity.com/paper/1912.02762/) (2019)
- [Learning Likelihoods with Conditional Normalizing Flows](https://mlsanity.com/paper/1912.00042/) (2019)

## Abstract (arXiv)

Modeling of aggregation processes in space-inhomogeneous systems is extremely numerically challenging since complicated aggregation equations -- Smoluchowski equations are to be solved at each space point along with the computation of particle propagation. Low rank approximation for the aggregation kernels can significantly speed up the solution of Smoluchowski equations, while particle propagation could be done in parallel. Yet the simulations with many aggregate sizes remain quite resource-demanding. Here, we explore the way to reduce the amount of direct computations with the use of modern machine learning (ML) techniques. Namely, we propose to replace the actual numerical solution of the Smoluchowki equations with the respective density transformations learned with the application of the conditional normalising flow. We demonstrate that the ML predictions for the space distribution of aggregates and their size distribution requires drastically less computation time and agrees fairly well with the results of direct numerical simulations. Such an opportunity of a quick forecast of space-dependent particle size distribution could be important in practice, especially for the online prediction and visualisation of pollution processes, providing a tool with a reasonable tradeoff between the prediction accuracy and the computational time.