Multimodal Machine Learning for Soft High-k Elastomers under Data Scarcity

Abstract: Dielectric materials are critical building blocks for modern electronics such as sensors, actuators, and transistors. With the rapid recent advance in soft and stretchable electronics for emerging human- and robot-interfacing applications, there is a surging need for high-performance dielectric elastomers. However, it remains a grand challenge to develop soft elastomers that simultaneously possess high dielectric constants (k, related to energy storage capacity) and low Young's moduli (E, related to mechanical flexibility). While some new elastomer designs have been reported in individual (mostly one-off) studies, almost no structured dataset is currently available for dielectric elastomers that systematically encompasses their molecular sequence, dielectric, and mechanical properties. Within this context, we curate a compact, high-quality dataset of acrylate-based dielectric elastomers, one of the most widely explored elastomer backbones due to its versatile chemistry and molecular design flexibility, by screening and aggregating experimental results from the literature over the past 10 years. Building on this dataset, we propose a multimodal learning framework that leverages large-scale pretrained polymer representations from graph- and sequence-based encoders. These pretrained embeddings transfer rich chemical and structural knowledge from vast polymer corpora, enabling accurate few-shot prediction of both dielectric and mechanical properties from molecular sequences. Our results represent a new paradigm for transferring knowledge from pretrained multimodal models to overcome severe data scarcity, which can be readily translated to other polymer backbones (e.g., silicones, urethanes) and thus accelerate data-efficient discovery of soft high-k dielectric elastomers. Our source code and dataset are publicly available at https://github.com/HySonLab/Polymers