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Hierarchical Sensing Framework for Polymer Degradation Monitoring: A Physics-Constrained Reinforcement Learning
Xiaoyu Hu1, Xiuyuan Zhao2, Wenhe Liu3
1Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, NJ 07030, USA.
Sensors (Basel, Switzerland)
|July 30, 2025
Summary
This study introduces a physics-informed deep learning framework for predicting polymer degradation. The AI model successfully identified 42 novel polymers with controlled degradation profiles, advancing sustainable materials science.
Area of Science:
- Materials Science
- Artificial Intelligence
- Polymer Chemistry
Background:
- Designing materials with programmable degradation is challenging due to complex structure-property relationships.
- Predicting polymer degradation requires analyzing vast chemical spaces.
Purpose of the Study:
- To develop a novel physics-informed deep learning framework for intelligent characterization and prediction of polymer degradation dynamics.
- To enable real-time monitoring of sustainable materials.
Main Methods:
- A dual-channel sensing architecture fusing Graph Isomorphism Networks and transformer models for multi-scale molecular state detection.
- A physics-constrained policy network ensuring thermodynamic adherence and optimizing degradation pathway exploration.
- Hierarchical signal processing with adaptive weighting and curriculum-based training.
Main Results:
- Experimental validation on 847 novel polymers achieved a 73.2% synthesis success rate.
- Identified 42 structures with precisely monitored degradation profiles (6-24 months).
- Physics-informed constraints improved generated molecular structure validity (94.7%) and diversity (0.82 Tanimoto distance).
Conclusions:
- The framework enhances real-time monitoring for next-generation sustainable materials.
- Physics-informed machine learning advances intelligent sensing in materials science.
- Revealed new correlations between spectroscopic signatures and degradation susceptibility.
