Interpretable inverse design of particle spectral emissivity using machine learning

TL;DR

This paper presents an interpretable machine learning approach using decision trees and random forests to rapidly solve forward and inverse problems in designing particle spectral emissivity, significantly outperforming traditional methods.

Contribution

It introduces a novel, interpretable ML framework for the inverse design of particle optical properties, capable of handling diverse datasets efficiently.

Findings

ML models solve forward and inverse problems with 4-8 orders of magnitude speedup.

Single models can generate diverse particle designs for inverse problems.

Interpretability confirms physical mechanisms of dielectric and metallic particles.

Abstract

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically solving Maxwel Equations. We then use a combination of decision tree and random forest models to solve both the forward problem (particle design in, optical properties out) and inverse problem (desired optical properties in, range of particle designs out). We show that on even comparatively sparse datasets these machine learning models solve both the forward and inverse problems with excellent accuracy and 4 to 8 orders of magnitude faster than traditional methods. A single trained model is capable of handling the full diversity of our dataset, producing a variety of different candidate particle designs to solve an inverse problem. The interpretability of our models confirms that dielectric particles emit and absorb electromagnetic radiation volumetrically, while metallic particles interaction with light is dominated by surface modes. This work demonstrates the possibility for approachable and interpretable machine learning models to be used for rapid forward and inverse design of devices that span a broad and diverse parameter space.