Learning ORDER-Aware Multimodal Representations for Composite Materials Design
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Abstract (arXiv)
Artificial intelligence has shown remarkable success in materials discovery and property prediction, particularly for crystalline and polymer systems where material properties and structures are dominated by discrete graph representations. Such graph-central paradigm breaks down on composite materials, which possess continuous and nonlinear design spaces. General composite descriptors, e.g., fiber volume and misalignment angle, cannot fully capture the fiber distributions that determine microstructural characteristics, necessitating the integration of heterogeneous data sources through multimodal learning. Existing alignment-oriented frameworks have proven effective on abundant crystal or polymer data under discrete, unique graph-property mapping assumptions, but fail to address the highly continuous composite design space under extreme data scarcity. In this work we introduce ORDinal-aware imagE-tabulaR alignment (ORDER), a multimodal pretraining framework that establishes ordinality as a core principle for material representations. ORDER ensures that materials with similar target properties occupy nearby regions in the latent space, which effectively preserves the continuous nature of composite properties and enables meaningful interpolation between sparsely observed designs. We evaluate ORDER on a Nanofiber-reinforced composite dataset and a carbon fiber T700 dataset. ORDER and its variants outperform both alignment-oriented and customized property-aware contrastive baselines across property prediction, cross-modal retrieval, and microstructure generation tasks. We further introduce physics-based ordinal surrogate signals avoiding the need for full property annotation during pretrain. Our work demonstrates learning continuous multimodal features are fundamental for composite materials, and provides a reliable pathway toward data-efficient universal multimodal intelligent systems.
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