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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

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Machine Learning · Computer Science 2021-12-21 Simiao Ren , Ashwin Mahendra , Omar Khatib , Yang Deng , Willie J. Padilla , Jordan M. Malof

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

Topology optimization has emerged as a popular approach to refine a component's design and increase its performance. However, current state-of-the-art topology optimization frameworks are compute-intensive, mainly due to multiple finite…

Machine Learning · Computer Science 2022-10-27 Jaydeep Rade , Aditya Balu , Ethan Herron , Jay Pathak , Rishikesh Ranade , Soumik Sarkar , Adarsh Krishnamurthy

In the recent decade, computational tools have become central in material design, allowing rapid development cycles at reduced costs. Machine learning tools are especially on the rise in photonics. However, the inversion of the Maxwell…

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

For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps…

Computational Physics · Physics 2026-05-13 Arnaud Vadeboncoeur , Mark Girolami , Kaushik Bhattacharya , Andrew M. Stuart

From higher computational efficiency to enabling the discovery of novel and complex structures, deep learning has emerged as a powerful framework for the design and optimization of nanophotonic circuits and components. However, both…

Machine Learning · Computer Science 2022-09-13 Christopher Yeung , Benjamin Pham , Zihan Zhang , Katherine T. Fountaine , Aaswath P. Raman

On-demand vibration mitigation in a mechanical system needs the suitable design of multiscale metastructures, involving complex unit cells. In this study, immersing in the world of patterns and examining the structural details of some…

Machine learning is revolutionizing chemistry. Beyond the value of predictive models accelerating virtual screening, generative AI aims at enabling inverse design, reversing the compound-to-property prediction paradigm into…

Designing metamaterials for extreme mechanical behavior involves the optimal selection of design parameters. However, identifying these optimal parameters through topology optimization (TO) across a large parametric space requires extensive…

Computational Physics · Physics 2025-11-10 Ajendra Singh , Shubham Saurabh , Abhinav Gupta , Rajib Chowdhury

Composite materials with 3D architectures are desirable in a variety of applications for the capability of tailoring their properties to meet multiple functional requirements. By the arrangement of materials' internal components, structure…

Materials Science · Physics 2023-02-28 Zhengyang Zhang , Han Fang , Zhao Xu , Jiajie Lv , Yao Shen , Yanming Wang

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville

Reinforcement learning (RL) applications, where an agent can simply learn optimal behaviors by interacting with the environment, are quickly gaining tremendous success in a wide variety of applications from controlling simple pendulums to…

Machine Learning · Computer Science 2022-01-28 Mariam Kiran , Melis Ozyildirim

Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can…

Materials Science · Physics 2026-05-19 Xiao-Qi Han , Peng-Jie Guo , Ze-Feng Gao , Hao Sun , Zhong-Yi Lu

The discovery of new materials has been the essential force which brings a discontinuous improvement to industrial products' performance. However, the extra-vast combinatorial design space of material structures exceeds human experts'…

The light scattering of multilayer nanoparticles can be solved by Maxwell equations. However, it is difficult to solve the inverse design of multilayer nanoparticles by using the traditional trial-and-error method. Here, we present a method…

Signal Processing · Electrical Eng. & Systems 2020-03-19 Cankun Qiu , Zhi Luo , Xia Wu , Huidong Yang , Bo Huang

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…

Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for simpler crystals, its application to intricate structures…

Materials Science · Physics 2025-06-19 Chaohong Wang , Alberto Pérez de Alba Ortíz , Marjolein Dijkstra

Metamaterials are artificially engineered structures that manipulate electromagnetic waves, having optical properties absent in natural materials. Recently, machine learning for the inverse design of metamaterials has drawn attention.…

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