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Multi-target digital material design via a conditional denoising diffusion probability model

delete2025-08-11
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OA
AI
W
Wei Yue
Y
Yuan Gao
Z
Zhenliang Pan
F
Fanping Sui *
L
Liwei Lin *
DOI:10.1038/s41524-025-01759-3delete
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Abstract

Abstract

En 中文
Multi-target digital material design has been challenging due to the expansive design space and instability of traditional methods in satisfying multiple objectives. This work proposes and demonstrates a customizer based on a classifier-free, conditional denoising diffusion probability model (cDDPM) to efficiently create the layouts of digital materials meeting the design goal of multiple mechanical properties all together. A case study has been conducted based on a micro mechanical resonator with four pre-assigned resonant frequencies. Using 29,430 samples generated via finite element analysis (FEA), the cDDPM is trained to simultaneously customize up to four vibrational modes, achieving over 95% prediction accuracy. Furthermore, the cDDPM approach also shows superior performances in the single-target customization for up to 99% in prediction accuracy when compared with traditional conditional generative adversarial networks (cGANs). As such, the proposed design framework provides a highly customizable and robust methodology for the design of complicated digital materials.

Journal

npj Computational Materials cover
npj Computational Materials
IF:
11.9
Papers:
2.4K
Citations:
1.7W

Organization

D
department of mechanical engineering
Scholars:
4.2K
Papers: 2.1K
Citations: 1
C
College of Engineering
Scholars:
1.2K
Papers: 744
Citations: 6