30 research outputs found
Interpretable deep learning for guided structure-property explorations in photovoltaics
The performance of an organic photovoltaic device is intricately connected to
its active layer morphology. This connection between the active layer and
device performance is very expensive to evaluate, either experimentally or
computationally. Hence, designing morphologies to achieve higher performances
is non-trivial and often intractable. To solve this, we first introduce a deep
convolutional neural network (CNN) architecture that can serve as a fast and
robust surrogate for the complex structure-property map. Several tests were
performed to gain trust in this trained model. Then, we utilize this fast
framework to perform robust microstructural design to enhance device
performance.Comment: Workshop on Machine Learning for Molecules and Materials (MLMM),
Neural Information Processing Systems (NeurIPS) 2018, Montreal, Canad
Interpretable deep learning for guided microstructure-property explorations in photovoltaics
The microstructure determines the photovoltaic performance of a thin film organic semiconductor film. The relationship between microstructure and performance is usually highly non-linear and expensive to evaluate, thus making microstructure optimization challenging. Here, we show a data-driven approach for mapping the microstructure to photovoltaic performance using deep convolutional neural networks. We characterize this approach in terms of two critical metrics, its generalizability (has it learnt a reasonable map?), and its intepretability (can it produce meaningful microstructure characteristics that influence its prediction?). A surrogate model that exhibits these two features of generalizability and intepretability is particularly useful for subsequent design exploration. We illustrate this by using the surrogate model for both manual exploration (that verifies known domain insight) as well as automated microstructure optimization. We envision such approaches to be widely applicable to a wide variety of microstructure-sensitive design problems