English

PolyRecommender: A Multimodal Recommendation System for Polymer Discovery

Machine Learning 2025-11-04 v1 Information Retrieval

Abstract

We introduce PolyRecommender, a multimodal discovery framework that integrates chemical language representations from PolyBERT with molecular graph-based representations from a graph encoder. The system first retrieves candidate polymers using language-based similarity and then ranks them using fused multimodal embeddings according to multiple target properties. By leveraging the complementary knowledge encoded in both modalities, PolyRecommender enables efficient retrieval and robust ranking across related polymer properties. Our work establishes a generalizable multimodal paradigm, advancing AI-guided design for the discovery of next-generation polymers.

Keywords

Cite

@article{arxiv.2511.00375,
  title  = {PolyRecommender: A Multimodal Recommendation System for Polymer Discovery},
  author = {Xin Wang and Yunhao Xiao and Rui Qiao},
  journal= {arXiv preprint arXiv:2511.00375},
  year   = {2025}
}
R2 v1 2026-07-01T07:16:45.118Z