Prediction of hydrogel swelling states using machine learning methods

Abstract

Abstract In the field of material informatics, artificial neural networks (ANNs) contribute to the investigation of the processing‐structure‐properties‐performance relationship of materials. This inspires us to leverage the capabilities of ANNs to decode properties of hydrogels, thereby customizing these active materials for sensors or actuators. In the current work, we introduce an approach to predict discrete swelling states of temperature‐responsive hydrogels, especially PNIPAAm, based on their synthesis parameters, utilizing ANN models. To build the database, we analyze literature on temperature‐responsive hydrogels and compile essential synthesis parameters. The corresponding data points related to these synthesis parameters are then extracted. We propose different variants of ANN models and compare their accuracy on the acquired dataset. The selected model can predict the swelling states of hydrogel samples within the test dataset with relative prediction error of 0.11. This approach is applied to predict the expected properties. Subsequently, the hydrogels can be synthesized, and their properties can be experimentally verified. Our approach can be extended to other types of hydrogels and in the prediction of additional properties. The identified synthesis parameters serve as a valuable foundation for the expansion of the database with further literature resources. An enriched database will enhance the performance of the data‐driven model, thereby improving its predictive capabilities.

Keywords

• active materials
• artificial neural networks
• data‐driven methods
• hydrogel swelling
• materials informatics