Representation learning for long-chain hydrocarbon adsorption in zeolites
Yachan Liu, Ping Yang, Gustavo Pérez, Aaron Sun, Wei Fan, Subhransu Maji, Peng Bai · Journal of Materials Chemistry A · 2025
A suite of machine learning models was assessed for predicting long-chain hydrocarbon adsorption in zeolites. Graph neural networks and vision transformers struggle while ZeoNet significantly outperforms others.