PolyRecommender: A Multimodal Recommendation System for Polymer Discovery

Fuente: arXiv
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Main Authors: Wang, Xin, Xiao, Yunhao, Qiao, Rui
Format: Preprint
Published: 2025
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author Wang, Xin
Xiao, Yunhao
Qiao, Rui
author_facet Wang, Xin
Xiao, Yunhao
Qiao, Rui
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2511_00375
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle PolyRecommender: A Multimodal Recommendation System for Polymer Discovery
Wang, Xin
Xiao, Yunhao
Qiao, Rui
Machine Learning
Information Retrieval
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.
title PolyRecommender: A Multimodal Recommendation System for Polymer Discovery
topic Machine Learning
Information Retrieval
url https://arxiv.org/abs/2511.00375