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Inverse design is a common yet challenging engineering problem, particularly for nonlinear functional responses such as mechanical behavior or spectral analysis. Deep generative models are motivated by intractability, non-existence or…

Computational Engineering, Finance, and Science · Computer Science 2025-10-09 Haoxuan Dylan Mu , Mingjian Tang , Wei Gao , Wei "Wayne" Chen

Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…

Soft Condensed Matter · Physics 2020-04-13 Zachary M. Sherman , Michael P. Howard , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

Diffusion-based image generators can now produce high-quality and diverse samples, but their success has yet to fully translate to 3D generation: existing diffusion methods can either generate low-resolution but 3D consistent outputs, or…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Animesh Karnewar , Niloy J. Mitra , Andrea Vedaldi , David Novotny

The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Machine Learning · Computer Science 2025-07-25 Phu Thien Nguyen , Yousef Heider , Dennis M. Kochmann , Fadi Aldakheel

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models…

Graphics · Computer Science 2025-03-10 Nathan Hoffman , Cashen Diniz , Dehao Liu , Theron Rodgers , Anh Tran , Mark Fuge

As an increasingly powerful technique in integrated photonics, inverse design uses optimization algorithms to automatically create compact, high-performance photonic structures, often yielding non-intuitive layouts far more compact than…

Optics · Physics 2026-03-03 Junho Park , Taehan Kim , Mohammad Ali , Di Liang

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to…

Optics · Physics 2026-04-21 Wei "Wayne" Chen , Rachel Sun , Doksoo Lee , Carlos M. Portela , Wei Chen

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

Microstructure reconstruction serves as a crucial foundation for establishing Process-Structure-Property (PSP) relationship in material design. Confronting the limitations of variational autoencoder and generative adversarial network within…

Computational Engineering, Finance, and Science · Computer Science 2023-11-30 Xianrui Lyu , Xiaodan Ren

The inverse approach is computationally efficient in aerodynamic design as the desired target performance distribution is prespecified. However, it has some significant limitations that prevent it from achieving full efficiency. First, the…

Machine Learning · Computer Science 2022-03-10 Sunwoong Yang , Sanga Lee , Kwanjung Yee

Inverse design of metasurfaces for the joint optimization of optical modulation and algorithmic decoding in computational optics presents significant challenges, especially in applications such as hyperspectral imaging. We introduce a…

Image and Video Processing · Electrical Eng. & Systems 2025-10-28 Rongzhou Chen , Haitao Nie , Shuo Zhu , Yaping Zhao , Chutian Wang , Edmund Y. Lam

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

In this article, we employ multiscale physics-informed neural networks (MscalePINNs) for the inverse design of finite-size photonic materials with stealthy hyperuniform (SHU) disordered geometries. Specifically, we show that MscalePINNs can…

Optics · Physics 2025-05-22 Roberto Riganti , Yilin Zhu , Wei Cai , Salvatore Torquato , Luca Dal Negro

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…

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…

Materials Science · Physics 2025-04-09 Shuyi Jia , Panchapakesan Ganesh , Victor Fung

Compared with traditional design methods, generative design significantly attracts engineers in various disciplines. In thiswork, howto achieve the real-time generative design of optimized structures with various diversities and…

Computational Engineering, Finance, and Science · Computer Science 2024-01-23 Zongliang Du , Xinyu Ma , Wenyu Hao , Yuan Liang , Xiaoyu Zhang , Hongzhi Luo , Xu Guo

While diffusion models have shown great success in image generation, their noise-inverting generative process does not explicitly consider the structure of images, such as their inherent multi-scale nature. Inspired by diffusion models and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Severi Rissanen , Markus Heinonen , Arno Solin

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural…

Magnonic crystals (MCs) are emerging spintronic metamaterials capable of manipulating transmission properties of magnons, the quanta of spin waves. Due to the complex relationship between lattice geometry and magnonic band dispersion, it…

Materials Science · Physics 2026-03-06 Ryunosuke Nagaoka , Takahiro Yamazaki , Chiharu Mitsumata , Yuma Iwasaki , Masato Kotsugi
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