Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly nonlinear mappings defined on highdimensional microstructure spaces is known to be data-demanding. Thus, the added value of such predictive models diminishes in common cases where material samples (in forms of 2D or 3D microstructures) become costly to acquire either experimentally or computationally. To this end, we propose a generative machine learning model that creates an arbitrary amount of artificial material samples with negligible computation cost, when trained on only a limited amount of authentic samples. The key contribution of this work is the introduction of a morphology constraint to the training of the generative model, that enforces the resultant artificial material samples to have the same morphology distribution as the authentic ones. We show empirically that the proposed model creates artificial samples that better match with the authentic ones in material property distributions than those generated from a state-of-the-art Markov Random Field model, and thus is more effective at improving the prediction performance of a predictive structure-property model.
Our study demonstrated that the CDKN2A/CDKN2B gene may be nominally associated with the efficacy of glibenclamide, and that CDKN2A/CDKN2B is associated with beta cell function.
may remain asymptomatic. With the progress of the radiological techniques, the incidence of this finding and the knowledge on the pathogenetic relation between IPMT and PD will probably increase.
Reconstructing heterogeneous materials from limited structural information has been a topic that attracts extensive research efforts and still poses many challenges. The Yeong-Torquato procedure is one of the most popular reconstruction techniques, in which the material reconstruction problem based on a set of spatial correlation functions is formulated as a constrained energy minimization (optimization) problem and solved using simulated annealing [Yeong and Torquato, Phys. Rev. E 57, 495 (1998)]. The standard two-point correlation function S2 has been widely used in reconstructions, but can also lead to large structural degeneracy for certain nearly percolating systems. To improve reconstruction accuracy and reduce structural degeneracy, one can successively incorporate additional morphological information (e.g., nonconventional or higher-order correlation functions), which amounts to reshaping the energy landscape to create a deep (local) energy minimum. In this paper, we present a dynamic reconstruction procedure that allows one to use a series of auxiliary S2 to achieve the same level of accuracy as those incorporating additional nonconventional correlation functions. In particular, instead of randomly sampling the microstructure space as in the simulated annealing scheme, our procedure utilizes a series of auxiliary microstructures that mimic a physical structural evolution process (e.g., grain growth). This amounts to constructing a series auxiliary energy landscapes that bias the convergence of the reconstruction to a favored (local) energy minimum. Moreover, our dynamic procedure can be naturally applied to reconstruct an actual microstructure evolution process. In contrast to commonly used evolution reconstruction approaches that separately generate individual static configurations, our procedure continuously evolves a single microstructure according to a time-dependent correlation function. The utility of our procedure is illustrated by successfully reconstructing nearly percolating hard-sphere packings and particle-reinforced composites as well as the coarsening process in a binary metallic alloy.
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