Active learning for advanced biodegradable film design

<h2>Abstract</h2> Developing biodegradable alternatives to traditional plastics is crucial for sustainable packaging. However, carboxymethyl cellulose (CMC), a promising eco-friendly material, suffers from brittleness and high hydrophilicity. This study integrates materials science, machine learning, and optimization techniques to enhance CMC films by improving mechanical performance, hydrophobicity, and optical properties using only low-cost, readily available solvents. Through six iterations with 186 data points for three-target optimization and seven iterations with 166 data points for two-target modeling, a data-driven platform was established to accurately predict CMC film properties based on composition and autonomously identify optimal formulations for specific performance targets. The best-performing CMC film achieved a water contact angle of 113.7°, tensile strength of 37.7 MPa, and elongation at break of 31%, outperforming the films enhanced with costly or nano additives. Harnessing the predictive power of the model facilitated the development of high-performance CMC films with tunable contact angles and optical properties while maintaining mechanical integrity. Structural analysis further confirmed a dense surface with excellent thermal stability and durability. Additionally, the integrated software platform, ALA Designer, enhances user-machine interaction and data management, extending its applicability beyond CMC films. This approach enables the multi-objective, multifunctional design of CMC films, optimizing mechanical properties essential for packaging while allowing tunable hydrophobicity to control release properties for pharmaceutical and cosmetic applications. By combining machine learning and materials science, this work accelerates the development of sustainable materials with properties similar to synthetic alternatives but with lower environmental impact and production costs, making a significant real-world contribution to eco-friendly materials in industry.