Can LLMs Predict Polymer Physics Just by Reading Synthesis and Processing Prose?
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Abstract (arXiv)
Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit drastically different behaviors depending on their synthesis route, processing history, morphology, and testing conditions. Yet, state-of-the-art polymer property models typically rely on structure-only representations -- such as SMILES or molecular graphs -- which strip away this vital experimental context. In this work, we introduce PolyLM, a natural-language-only, process- and condition-aware framework that predicts materials performance directly from full-text literature. By circumventing structural inputs entirely, PolyLM preserves the nuanced, unstructured descriptions of synthesis and processing reported by domain scientists. To train this framework, we curated an unprecedented, literature-scale dataset encompassing 185,000 scientific papers and over 276,400 unique polymer samples across 22 physical, mechanical, and thermal properties. We fine-tuned a massive 9-billion-parameter language model (Qwen3.5-9B) using Low-Rank Adaptation (LoRA) and task-level uncertainty weighting. Evaluated on 68,283 held-out observations, the model achieves remarkably high predictive accuracy, establishing new state-of-the-art benchmarks for complex properties. Across the 22 diverse targets, the model achieves a median R2 of 0.74, with predictions for key thermal, mechanical, and physicochemical properties frequently surpassing an R2 of 0.80. These results unequivocally demonstrate that natural language is a powerful, highly scalable interface for realistic materials performance prediction.
Key facts. No citing papers in the map yet (data through 7 Oct 2026). Builds on 12 of its 24 references that are in the map. First posted on arXiv 7 May 2026.
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References · 12
- 2017Attention Is All You Needcited by 59,932
- 2018BERT: Pre-training of Deep Bidirectional Transformers for Language Understandingcited by 40,204
- 2020Language Models are Few-Shot Learnerscited by 32,199
- 2019Exploring the Limits of Transfer Learning with a Unified Text-to-Text Transformercited by 14,491
- 2021LoRA: Low-Rank Adaptation of Large Language Modelscited by 14,084
- 2023LLaMA: Open and Efficient Foundation Language Modelscited by 13,958
- 2017Neural Message Passing for Quantum Chemistrycited by 3,460
- 2023Qwen Technical Reportcited by 3,273
- 2017Multi-Task Learning Using Uncertainty to Weigh Losses for Scene Geometry and Semanticscited by 1,345
- 2020ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Predictioncited by 332
- 2021MatSciBERT: A Materials Domain Language Model for Text Mining and Information Extractioncited by 82
- 2020Polymer Informatics: Current Status and Critical Next Stepscited by 29
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