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Inverse design of metasurfaces for specific electromagnetic responses requires generating geometries that satisfy stringent spectral constraints while maintaining manufacturability. Conventional design methodologies rely on iterative…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Vineetha Joy , Jamshed Palai , Satwik Sahoo , Anshuman Kumar , Amit Sethi , Hema Singh

Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…

Materials Science · Physics 2024-08-05 Yaohua Zang , Phaedon-Stelios Koutsourelakis

Metasurface-generated holography has emerged as a promising route for fully reproducing vivid scenes by manipulating the optical properties of light using ultra-compact devices. However, achieving multiple holographic images using a single…

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable…

Machine Learning · Statistics 2026-02-17 Matthaios Chatzopoulos , Phaedon-Stelios Koutsourelakis

Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via…

A key challenge in metasurface design is the development of algorithms that can effectively and efficiently produce high performance devices. Design methods based on iterative optimization can push the performance limits of metasurfaces,…

A long-standing challenge is designing multi-scale structures with good connectivity between cells while optimizing each cell to reach close to the theoretical performance limit. We propose a new method for direct multi-scale topology…

Neural and Evolutionary Computing · Computer Science 2025-02-21 Hongrui Chen , Xingchen Liu , Levent Burak Kara

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

The accelerated inverse design of complex material properties - such as identifying a material with a given stress-strain response over a nonlinear deformation path - holds great potential for addressing challenges from soft robotics to…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Jan-Hendrik Bastek , Dennis M. Kochmann

High Q-factor narrow-band absorption exhibits high spectral selectivity enabling high-sensitive photodetectors, sensors and thermal emitters. All-dielectric metasurfaces are widely regarded as excellent candidates for giving rise to such…

Optics · Physics 2025-07-25 Sreeraj Rajan Warrier , Jayasri Dontabhaktuni

Inverse design of high-resolution and fine-detailed 3D lightweight mechanical structures is notoriously expensive due to the need for vast computational resources and the use of very fine-scaled complex meshes. Furthermore, in designing for…

Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and…

Nonlinear metasurfaces offer a new paradigm to realize optical nonlinear devices with new and unparalleled behavior compared to nonlinear crystals, due to the interplay between photonic resonances and materials properties. The complicated…

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

Interior design is a complex and creative discipline involving aesthetics, functionality, ergonomics, and materials science. Effective solutions must meet diverse requirements, typically producing multiple deliverables such as renderings…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Yuxuan Yang , Tao Geng

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

From self-assembly and protein folding to combinatorial metamaterials, a key challenge in material design is finding the right combination of interacting building blocks that yield targeted properties. Such structures are fiendishly…

Soft Condensed Matter · Physics 2025-06-26 Ryan van Mastrigt , Marjolein Dijkstra , Martin van Hecke , Corentin Coulais