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Multi-target digital material design via a conditional denoising diffusion probability model
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作者 Wei Yue Yuan Gao +2 位作者 Zhenliang Pan Fanping Sui Liwei Lin 《npj Computational Materials》 2025年第1期2792-2801,共10页
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 bas... 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. 展开更多
关键词 create layouts digital materials denoising diffusion probability model cddpm multi target design digital material digital material design multiple mechanical properties all micro mechanical resonator conditional denoising diffusion probability model
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