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August 25, 2025npj Computational Materials20 citationsOpen Access

A versatile multimodal learning framework bridging multiscale knowledge for material design

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YWYuhui WuMDMinmin DingHHHaonan He

Key Points

  • Improved mechanical property prediction occurs even without structural data, enhancing material design capabilities.
  • Key evidence shows MatMCL enables more effective learning from incomplete material data and generates useful microstructures.
  • The study utilizes observational analysis with self-constructed multimodal datasets focusing on electrospun nanofibers.
  • These findings suggest MatMCL has the potential to significantly advance AI-driven material design methodologies.

Abstract

Artificial intelligence has achieved remarkable success in materials science, accelerating novel material design. However, real-world material systems exhibit multiscale complexity—spanning composition, processing, structure, and properties—posing significant challenges for modeling. While some approaches fuse multiscale features to improve prediction, important modalities such as microstructure are often missing due to high acquisition costs. Existing methods struggle with incomplete data and lack a framework to bridge multiscale material knowledge. To address this, we propose MatMCL, a structure-guided multimodal learning framework that jointly analyzes multiscale material information and enables robust property prediction with incomplete modalities. Using a self-constructed multimodal dataset of electrospun nanofibers, we demonstrate that MatMCL improves mechanical property prediction without structural information, generates microstructures from processing parameters, and enables cross-modal retrieval. We further extend it via multi-stage learning and apply it to nanofiber-reinforced composite design. MatMCL uncovers processing-structure-property relationships, suggesting its promise as a generalizable approach for AI-driven material design.

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Cite This Study

Wu et al. (2025) studied this question.

synapsesocial.com/papers/68af5f13ad7bf08b1eae1db4https://doi.org/10.1038/s41524-025-01767-3
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