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Denoising diffusion algorithm for inverse design of microstructures with fine-tuned nonlinear material properties

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually denoise images and generate realistic synthetic samples. By learning the reverse of a Markov diffusion process, we design an artificial intelligence to efficiently manipulate the topology of microstructures to generate a massive number of prototypes that exhibit constitutive responses sufficiently close to designated nonlinear constitutive responses. To identify the subset of microstructures with sufficiently precise fine-tuned properties, a convolutional neural network surrogate is trained to replace high-fidelity finite element simulations to filter out prototypes outside the admissible range. The results of this study indicate that the denoising diffusion process is capable of creating microstructures of fine-tuned nonlinear material properties within the latent space of the training data. More importantly, the resulting algorithm can be easily extended to incorporate additional topological and geometric modifications by introducing high-dimensional structures embedded in the latent space. The algorithm is tested on the open-source mechanical MNIST data set. Consequently, this algorithm is not only capable of performing inverse design of nonlinear effective media but also learns the nonlinear structure-property map to quantitatively understand the multiscale interplay among the geometry and topology and their effective macroscopic properties.

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