A versatile multimodal learning framework bridging multiscale knowledge for material design

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.

Authors

Institutions

Publication Details

Journal
npj Computational Materials
Published
2025-08-25
DOI
https://doi.org/10.1038/s41524-025-01767-3
Citations
3
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
1.55

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

A versatile multimodal learning framework bridging multiscale knowledge for material design

Haonan He, Shaohua Jiang, Peng Zhang, Minmin Ding et al.
3 citations
npj Computational Materials
Machine Learning in Materials Science
1.55
article

A versatile multimodal learning framework bridging multiscale knowledge for material design

Haonan He, Shaohua Jiang, Peng Zhang, Minmin Ding, Qijun Wu, Jian Ji, Yuhui Wu
article en
3 citations

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.

npj Computational MaterialsVol. 11(1)
Nanjing Forestry University (CN), Second Affiliated Hospital of Zhejiang University (CN), Chemical Synthesis Lab (SG), Zhejiang University (CN)
National Natural Science Foundation of China, National Key Research and Development Program of China, Natural Science Foundation of Zhejiang Province
Openalex Percentile: Top 16%
Machine Learning in Materials Science
1.55
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.