Multi-model framework for intelligent research and development of super-hydrophilic coatings
The conventional trial-and-error approach for the research and development (R&D) of high-performance super-hydrophilic coatings presents long-standing challenges, including data scarcity, unclear structure-activity relationships, and lack of design guidelines. In this study, an innovative multi-model framework that synergistically integrates a specialized polymer large language model (PolyLLM) and a polymer machine learning model (PolyML) for intelligent R&D of super-hydrophilic coating systems is designed and demonstrated. During the hydrophilic polymer research phase, the multi-model leverages the domain-specific insights and chemical tool capabilities of the fine-tuned PolyLLM to systematically screen 852 hydrophilic monomers and generate 3880 hypothetical polymer architectures. By utilizing the PolyML, the multi-model enables precise performance predictions and quantitative evaluations of feature importance to facilitate efficient high-throughput screening of optimal structures from the generated polymer database. Experimental validation confirms that the multi-model achieves a mean absolute error (MAE) below 10% across various polymer property prediction tasks compared to experimental data. This approach leads to the rapid discovery of hydrophilic polymers with exceptional anti-swelling and wear-resistance. In developing super-hydrophilic coatings, the multi-model effectively combines PolyLLM's guidance for large-scale synthesis with PolyML's capabilities for precise formulation optimization and curing parameter adjustments. The effectiveness of multi-model is demonstrated by the accelerated development of high-performance anti-fogging coatings for swim goggles and optical films with outstanding water- and wear-resistance that significantly outperform leading commercial products. This multi-model offers a flexible approach for advanced polymer coatings, leading to a seamless connection between laboratory research and industrial development.