为复合材料设计构建连续感知的多模态表示,实现稀疏数据下的高效预测与生成。
Learning ORDER-Aware Multimodal Representations for Composite Materials Design
- 以序数关系为核心,建立材料属性与潜在空间的连续映射。
- 在纳米纤维和T700碳纤维数据集上超越对比基线,提升预测与生成性能。
- 引入物理启发的序数代理信号,减少对完整标注数据依赖。
人工智能在材料发现与性能预测中表现卓越,尤其在晶体和聚合物体系中,其结构与性能由离散图表示主导。然而,该图中心范式在复合材料中失效,因其设计空间连续且非线性。通用描述符(如纤维体积分数、错位角)无法充分捕捉决定微观结构的纤维分布,亟需通过多模态学习融合异构数据。现有对齐框架在丰富晶体或聚合物数据下有效,但在极端数据稀缺的连续复合材料空间中表现不佳。本文提出有序感知图像-表格对齐框架ORDER,将序数关系作为材料表征的核心原则。ORDER确保目标性能相似的材料在潜在空间中邻近,有效保持复合材料属性的连续性,并支持稀疏观测设计间的有意义插值。我们在纳米纤维增强复合材料和碳纤维T700数据集上评估ORDER,其变体在属性预测、跨模态检索和微观结构生成任务中均优于对齐导向与定制化属性感知的对比基线。我们进一步引入基于物理的序数代理信号,避免预训练阶段完全依赖属性标注。研究证明,学习连续多模态特征是复合材料智能设计的关键,为数据高效通用多模态系统提供可靠路径。
原文摘要 · Abstract (English)
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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