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Multi-View Polymer Representations for the Open Polymer Prediction

arXiv 2511.10893 ↗First posted 14 Nov 2025cs.LGcited by 0

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Abstract (arXiv)

We address polymer property prediction with a multi-view design that exploits complementary representations. Our system integrates four families: (i) tabular RDKit/Morgan descriptors, (ii) graph neural networks, (iii) 3D-informed representations, and (iv) pretrained SMILES language models, and averages per-property predictions via a uniform ensemble. Models are trained with 10-fold splits and evaluated with SMILES test-time augmentation. The approach ranks 9th of 2241 teams in the Open Polymer Prediction Challenge at NeurIPS 2025. The submitted ensemble achieves a public MAE of 0.057 and a private MAE of 0.082.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). First posted on arXiv 14 Nov 2025.

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