The task of designing optical multilayer thin-films regarding a given target is currently solved using gradient-based optimization in conjunction with methods that can introduce additional thin-film layers. Recently, Deep Learning and Reinforcement Learning have been been introduced to the task of designing thin-films with great success, however a trained network is usually only able to become proficient for a single target and must be retrained if the optical targets are varied. In this work, we apply conditional Invertible Neural Networks (cINN) to inversely designing multilayer thin-films given an optical target. Since the cINN learns the energy landscape of all thin-film configurations within the training dataset, we show that cINNs can generate a stochastic ensemble of proposals for thin-film configurations that that are reasonably close to the desired target depending only on random variables. By refining the proposed configurations further by a local optimization, we show that the generated thin-films reach the target with significantly greater precision than comparable state-of-the art approaches. Furthermore, we tested the generative capabilities on samples which are outside the training data distribution and found that the cINN was able to predict thin-films for out-of-distribution targets, too. The results suggest that in order to improve the generative design of thin-films, it is instructive to use established and new machine learning methods in conjunction in order to obtain the most favorable results.

Designing a multi-layer optical system with designated optical characteristics is an inverse design problem in which the resulting design is determined by several discrete and continuous parameters. In particular, we consider three design parameters to describe a multi-layer stack: Each layer's dielectric material and thickness as well as the total number of layers. Such a combination of both, discrete and continuous parameters is a challenging optimization problem that often requires a computationally expensive search for an optimal system design. Hence, most methods merely determine the optimal thicknesses of the system's layers. To incorporate layer material and the total number of layers as well, we propose a method that considers the stacking of consecutive layers as parameterized actions in a Markov decision process. We propose an exponentially transformed reward signal that eases policy optimization and adapt a recent variant of Q-learning for inverse design optimization. We demonstrate that our method outperforms human experts and a naive reinforcement learning algorithm concerning the achieved optical characteristics. Moreover, the learned Q-values contain information about the optical properties of multi-layer optical systems, thereby allowing physical interpretation or what-if analysis.