Doksoo Lee

In engineering design, global sensitivity analysis (GSA) is used for analyzing the effects of inputs on the system response and is commonly studied with analytical or surrogate models. However, such models fail to capture nonlinear behaviors in complex systems and involve several modeling assumptions. Besides model-focused methods, a data-driven GSA approach, rooted in interpretable machine learning, would also identify the relationships between system components. Moreover, a special need in engineering design extends beyond performing GSA for input variables individually, but instead evaluating the contributions of variable groups on the system response. In this article, we introduce a flexible, interpretable artificial neural network model to uncover individual as well as grouped global sensitivity indices for understanding complex physical interactions in engineering design problems. The proposed model allows the investigation of the main effects and second-order effects in GSA according to functional analysis of variance (FANOVA) decomposition. To draw a higher-level understanding, we further use the subset decomposition method to analyze the significance of the groups of input variables. Using the design of a programmable material system (PMS) as an example, we demonstrate the use of our approach for examining the impact of material, architecture, and stimulus variables as well as their interactions. This information lays the foundation for managing design space complexity, summarizing the relationships between system components, and deriving design guidelines for PMS development.

Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations and the proliferation of deep learning assisted design, grand challenges of inverse design for MMM, especially those involving heterogeneous fields possibly subject to either mutual meta-atom coupling or long-range interactions, remain largely under-explored. To this end, we present a data-driven design framework, which streamlines the inverse design of MMMs involving heterogeneous fields. A core enabler is implicit Fourier neural operator (IFNO), which predicts heterogeneous fields distributed across a metamaterial array, thus in general at odds with homogenization assumptions, in a parameter-/sample-efficient fashion. Additionally, we propose a standard formulation of inverse problem covering a broad class of MMMs, and gradient-based multitask concurrent optimization identifying a set of Pareto-optimal architecture-stimulus (A-S) pairs. Fourier multiclass blending is proposed to synthesize inter-class meta-atoms anchored on a set of geometric motifs, while enjoying training-free dimension reduction and built-it reconstruction. Interlocking the three pillars, the framework is validated for light-bylight programmable plasmonic nanoantenna, whose design involves vast space jointly spanned by quasi-freeform supercells, maneuverable incident phase distributions, and conflicting figure-of-merits involving on-demand localization patterns. Accommodating all the challenges without a-priori simplifications, our framework could propel future advancements of MMM.

Inspired by the recent achievements of machine learning in diverse domains, data-driven metamaterials design has emerged as a compelling paradigm that can unlock the potential of multiscale architectures. The model-centric research trend, however, lacks principled frameworks dedicated to data acquisition, whose quality propagates into the downstream tasks. Often built by naive space-filling design in shape descriptor space, metamaterial datasets suffer from property distributions that are either highly imbalanced or at odds with design tasks of interest. To this end, we present t-METASET: an active learning-based data acquisition framework aiming to guide both diverse and task-aware data generation. Distinctly, we seek a solution to a commonplace yet frequently overlooked scenario at early stages of data-driven design of metamaterials: when a massive (∼O(104)) shape-only library has been prepared with no properties evaluated. The key idea is to harness a data-driven shape descriptor learned from generative models, fit a sparse regressor as a start-up agent, and leverage metrics related to diversity to drive data acquisition to areas that help designers fulfill design goals. We validate the proposed framework in three deployment cases, which encompass general use, task-specific use, and tailorable use. Two large-scale mechanical metamaterial datasets are used to demonstrate the efficacy. Applicable to general image-based design representations, t-METASET could boost future advancements in data-driven design.

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by manufacturing or fabrication. The past work that quantifies such uncertainty often makes simplifying assumptions on geometric variations, while the “real-world,” “free-form” uncertainty and its impact on design performance are difficult to quantify due to the high dimensionality. To address this issue, we propose a generative adversarial network-based design under uncertainty framework (GAN-DUF), which contains a deep generative model that simultaneously learns a compact representation of nominal (ideal) designs and the conditional distribution of fabricated designs given any nominal design. This opens up new possibilities of (1) building a universal uncertainty quantification model compatible with both shape and topological designs, (2) modeling free-form geometric uncertainties without the need to make any assumptions on the distribution of geometric variability, and (3) allowing fast prediction of uncertainties for new nominal designs. We can combine the proposed deep generative model with robust design optimization or reliability-based design optimization for design under uncertainty. We demonstrated the framework on two real-world engineering design examples and showed its capability of finding the solution that possesses better performance after fabrication.