Multi-View Polymer Representations for the Open Polymer Prediction

arXiv — cs.LGMonday, November 17, 2025 at 5:00:00 AM
The article discusses a novel approach to polymer property prediction using a multi-view design that incorporates various representations. The system combines four families of representations: tabular RDKit/Morgan descriptors, graph neural networks, 3D-informed representations, and pretrained SMILES language models. This ensemble method achieved a public mean absolute error (MAE) of 0.057 and a private MAE of 0.082, ranking 9th out of 2241 teams in the Open Polymer Prediction Challenge at NeurIPS 2025.
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