Ping Zhu

Liwei Wang, Suraj Yerramilli, Akshay Iyer et al.

Scientific and engineering problems often require the use of artificial intelligence to aid understanding and the search for promising designs. While Gaussian processes (GP) stand out as easy-to-use and interpretable learners, they have difficulties in accommodating big datasets, categorical inputs, and multiple responses, which has become a common challenge for a growing number of data-driven design applications. In this paper, we propose a GP model that utilizes latent variables and functions obtained through variational inference to address the aforementioned challenges simultaneously. The method is built upon the latent variable Gaussian process (LVGP) model where categorical factors are mapped into a continuous latent space to enable GP modeling of mixed-variable datasets. By extending variational inference to LVGP models, the large training dataset is replaced by a small set of inducing points to address the scalability issue. Output response vectors are represented by a linear combination of independent latent functions, forming a flexible kernel structure to handle multiple responses that might have distinct behaviors. Comparative studies demonstrate that the proposed method scales well for large datasets with over 10^4 data points, while outperforming state-of-the-art machine learning methods without requiring much hyperparameter tuning. In addition, an interpretable latent space is obtained to draw insights into the effect of categorical factors, such as those associated with building blocks of architectures and element choices in metamaterial and materials design. Our approach is demonstrated for machine learning of ternary oxide materials and topology optimization of a multiscale compliant mechanism with aperiodic microstructures and multiple materials.

Liwei Wang, Anton van Beek, Daicong Da et al.

For natural frequency optimization of engineering structures, cellular composites have been shown to possess an edge over solid. However, existing multiscale design methods for cellular composites are either computationally exhaustive or confined to a single class of microstructures. In this paper, we propose a data-driven topology optimization (TO) approach to enable the multiscale design of cellular structures with various choices of microstructure classes. The key component is a newly proposed latent-variable Gaussian process (LVGP) model through which different classes of microstructures are mapped into a low-dimensional continuous latent space. It provides an interpretable distance metric between classes and captures their effects on the homogenized stiffness tensors. By introducing latent vectors as design variables, a differentiable transition of stiffness matrix between classes can be easily achieved with an analytical gradient. After integrating LVGP with the density-based TO, an efficient data-driven cellular composite optimization process is developed to enable concurrent exploration of microstructure concepts and the associated volume fractions for natural frequency optimization. Examples reveal that the proposed cellular designs with multiclass microstructures achieve higher natural frequencies than both single-scale and single-class designs. This framework can be easily extended to other multi-scale TO problems, such as thermal compliance and dynamic response optimization.

Liwei Wang, Yu-Chin Chan, Faez Ahmed et al.

Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is challenging due to high-dimensional topological design space, multiple local optima, and high computational cost. To address these hurdles, we propose a novel data-driven metamaterial design framework based on deep generative modeling. A variational autoencoder (VAE) and a regressor for property prediction are simultaneously trained on a large metamaterial database to map complex microstructures into a low-dimensional, continuous, and organized latent space. We show in this study that the latent space of VAE provides a distance metric to measure shape similarity, enable interpolation between microstructures and encode meaningful patterns of variation in geometries and properties. Based on these insights, systematic data-driven methods are proposed for the design of microstructure, graded family, and multiscale system. For microstructure design, the tuning of mechanical properties and complex manipulations of microstructures are easily achieved by simple vector operations in the latent space. The vector operation is further extended to generate metamaterial families with a controlled gradation of mechanical properties by searching on a constructed graph model. For multiscale metamaterial systems design, a diverse set of microstructures can be rapidly generated using VAE for target properties at different locations and then assembled by an efficient graph-based optimization method to ensure compatibility between adjacent microstructures. We demonstrate our framework by designing both functionally graded and heterogeneous metamaterial systems that achieve desired distortion behaviors.

Liwei Wang, Siyu Tao, Ping Zhu et al.

The data-driven approach is emerging as a promising method for the topological design of multiscale structures with greater efficiency. However, existing data-driven methods mostly focus on a single class of microstructures without considering multiple classes to accommodate spatially varying desired properties. The key challenge is the lack of an inherent ordering or distance measure between different classes of microstructures in meeting a range of properties. To overcome this hurdle, we extend the newly developed latent-variable Gaussian process (LVGP) models to create multi-response LVGP (MR-LVGP) models for the microstructure libraries of metamaterials, taking both qualitative microstructure concepts and quantitative microstructure design variables as mixed-variable inputs. The MR-LVGP model embeds the mixed variables into a continuous design space based on their collective effects on the responses, providing substantial insights into the interplay between different geometrical classes and material parameters of microstructures. With this model, we can easily obtain a continuous and differentiable transition between different microstructure concepts that can render gradient information for multiscale topology optimization. We demonstrate its benefits through multiscale topology optimization with aperiodic microstructures. Design examples reveal that considering multiclass microstructures can lead to improved performance due to the consistent load-transfer paths for micro- and macro-structures.