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1. METASET: An Automated Data Selection Method for Scalable Data-Driven Design of Metamaterials

   https://doi.org/10.1115/DETC2020-22681  

   Chan, Yu-Chin; Ahmed, Faez; Wang, Liwei; Chen, Wei (October 2020, International Design Engineering Technical Conferences and Computers and Information in Engineering Conferences)

   null (Ed.)

   Abstract Data-driven design of mechanical metamaterials is an increasingly popular method to combat costly physical simulations and immense, often intractable, geometrical design spaces. Using a precomputed dataset of unit cells, a multiscale structure can be quickly filled via combinatorial search algorithms, and machine learning models can be trained to accelerate the process. However, the dependence on data induces a unique challenge: An imbalanced dataset containing more of certain shapes or physical properties than others can be detrimental to the efficacy of the approaches and any models built on those sets. In answer, we posit that a smaller yet diverse set of unit cells leads to scalable search and unbiased learning. To select such subsets, we propose METASET, a methodology that 1) uses similarity metrics and positive semi-definite kernels to jointly measure the closeness of unit cells in both shape and property space, and 2) incorporates Determinantal Point Processes for efficient subset selection. Moreover, METASET allows the trade-off between shape and property diversity so that subsets can be tuned for various applications. Through the design of 2D metamaterials with target displacement profiles, we demonstrate that smaller, diverse subsets can indeed improve the search process as well as structural performance. We also apply METASET to eliminate inherent overlaps in a dataset of 3D unit cells created with symmetry rules, distilling it down to the most unique families. Our diverse subsets are provided publicly for use by any designer. 

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2. A Dataset Generation Framework for Symmetry-Induced Mechanical Metamaterials

   https://doi.org/10.1115/1.4066169  

   Abu-Mualla, Mohammad; Huang, Jida (April 2025, Journal of Mechanical Design)

   Abstract The surge in machine learning research and recent advancements in 3D printing technologies have significantly enriched materials science and engineering, particularly in the domain of mechanical metamaterials, which commonly consist of periodic truss materials. Despite the extensive exploration of their tailorable properties, truss-based metamaterial design has predominantly adhered to cubic and orthotropic unit cells, a limitation arising from the conventional design method, where the type of symmetry related to the designed truss-based material is determined after the design process is done. To overcome this issue, this work introduces a groundbreaking 3D truss material designing framework that departs from this constraint by employing six distinctive material symmetries (cubic, hexagonal, tetragonal, orthotropic, trigonal, and monoclinic) within the design process. This innovative approach represents a versatile paradigm shift compared to previous design approaches. Furthermore, we are able to integrate anisotropy into the design framework, thus enhancing the property space exploration capability of the proposed design framework. Probing the property space of unit cells using our design framework demonstrates its capacity to achieve a diverse range of mechanical properties. The analysis of the generated samples shows that they can surpass the most extensive datasets available in the literature in regions where directional elastic properties are not linked by structural symmetry. The proposed method facilitates the generation of a truss dataset, which can be represented in a trainable format suitable for machine learning and data-driven approaches. This advancement paves the way for the development of robust inverse design tools for truss materials, marking a significant contribution to the mechanical metamaterial community. 

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3. Symmetry-Induced Mechanical Metamaterials Design Framework and Dataset Generation

   https://doi.org/10.1115/DETC2024-141866  

   Abu-Mualla, Mohammad; Huang, Jida (August 2024, American Society of Mechanical Engineers)

   Abstract The surge in machine learning research and recent advancements in 3D printing technologies have significantly enriched materials science and engineering, particularly in the domain of mechanical metamaterials, which commonly consist of periodic truss materials. Despite the extensive exploration of their tailorable properties, truss-based metamaterial design has predominantly adhered to cubic and orthotropic unit-cells, a limitation arising from the conventional design method, where the type of symmetry related to the designed truss-based material is determined after the design process is done. To overcome this issue, this work introduces a groundbreaking 3D truss material designing framework that departs from this constraint by employing six distinctive material symmetries (cubic, hexagonal, tetragonal, orthotropic, trigonal, and monoclinic) within the design process. This innovative approach represents a versatile paradigm shift compared to previous design approaches. Furthermore, we are able to integrate anisotropy into the design framework, thus enhancing the property space exploration capability of the proposed design framework. Probing materials property space using our design framework demonstrates its capacity to achieve a diverse range of mechanical properties, surpassing even the most extensive datasets available in the literature. The proposed method facilitates the generation of a comprehensive truss dataset, which can be represented in a trainable continuous format suitable for machine learning and data-driven approaches. This advancement paves the way for the development of robust inverse design tools for truss materials, marking a significant contribution to the mechanical metamaterial community. 

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4. Data‐Driven Design for Metamaterials and Multiscale Systems: A Review

   https://doi.org/10.1002/adma.202305254  

   Lee, Doksoo; Chen, Wei_Wayne; Wang, Liwei; Chan, Yu‐Chin; Chen, Wei (December 2023, Advanced Materials)

   Abstract Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great promise for realizing next‐generation devices with exceptional, often exotic, functionalities. However, the vast design space and intricate structure–property relationships pose significant challenges in their design. A compelling paradigm that could bring the full potential of metamaterials to fruition is emerging: data‐driven design. This review provides a holistic overview of this rapidly evolving field, emphasizing the general methodology instead of specific domains and deployment contexts. Existing research is organized into data‐driven modules, encompassing data acquisition, machine learning‐based unit cell design, and data‐driven multiscale optimization. The approaches are further categorized within each module based on shared principles, analyze and compare strengths and applicability, explore connections between different modules, and identify open research questions and opportunities. 

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5. t-METASET: Task-Aware Acquisition of Metamaterial Datasets Through Diversity-Based Active Learning

   https://doi.org/10.1115/1.4055925  

   Lee, Doksoo; Chan, Yu-Chin; Chen, Wei; Wang, Liwei; van Beek, Anton; Chen, Wei (March 2023, Journal of Mechanical Design)

   Abstract 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. 

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