Chemistry Integrated Language Model using Hierarchical Molecular Representation for Polymer Informatics

arXiv — cs.LGTuesday, December 9, 2025 at 5:00:00 AM
  • A new framework called CI-LLM has been introduced, integrating hierarchical molecular representations for polymer informatics. This model combines HAPPY, which encodes chemical substructures, with a descriptor-enriched transformer architecture, De$^3$BERTa, to enhance property prediction and inverse design of polymers.
  • The development of CI-LLM is significant as it addresses the challenges of data scarcity in polymer research, enabling faster and more accurate predictions of polymer properties, thus advancing material discovery in this complex field.
  • This innovation reflects a broader trend in artificial intelligence where models are increasingly designed to incorporate domain-specific knowledge, enhancing their efficiency and interpretability. The integration of memory systems and bias mitigation strategies in AI also highlights the ongoing efforts to improve the capabilities and ethical considerations of large language models.
— via World Pulse Now AI Editorial System

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