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Hope Yao

Publications and source records attributed to Hope Yao.

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One-Shot Generation of Near-Optimal Topology through Theory-Driven Machine Learning

We introduce a theory-driven mechanism for learning a neural network model that performs generative topology design in one shot given a problem setting, circumventing the conventional iterative process that computational design tasks usually entail. The proposed mechanism can lead to machines that quickly response to new design requirements based on its knowledge accumulated through past experiences of design generation. Achieving such a mechanism through supervised learning would require an impractically large amount of problem-solution pairs for training, due to the known limitation of deep neural networks in knowledge generalization. To this end, we introduce an interaction between a student (the neural network) and a teacher (the optimality conditions underlying topology optimization): The student learns from existing data and is tested on unseen problems. Deviation of the student's solutions from the optimality conditions is quantified, and used for choosing new data points to learn from. We call this learning mechanism "theory-driven", as it explicitly uses domain-specific theories to guide the learning, thus distinguishing itself from purely data-driven supervised learning. We show through a compliance minimization problem that the proposed learning mechanism leads to topology generation with near-optimal structural compliance, much improved from standard supervised learning under the same computational budget.

cs.LG

Improving Direct Physical Properties Prediction of Heterogeneous Materials from Imaging Data via Convolutional Neural Network and a Morphology-Aware Generative Model

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 high-dimensional 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.

physics.comp-ph