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Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…

Deep compressed sensing assumes the data has sparse representation in a latent space, i.e., it is intrinsically of low-dimension. The original data is assumed to be mapped from a low-dimensional space through a low-to-high-dimensional…

Image and Video Processing · Electrical Eng. & Systems 2021-06-22 Ashkan Esmaeili

Generative models such as AlphaFold and MatterGen can directly generate novel material structures with desired properties, accelerating the new materials discovery and revolutionizing the material design paradigm from traditional…

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional…

Machine Learning · Computer Science 2024-03-21 Ivan Grega , Ilyes Batatia , Gábor Csányi , Sri Karlapati , Vikram S. Deshpande

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable…

Materials Science · Physics 2021-06-08 Victor Fung , Jiaxin Zhang , Guoxiang Hu , P. Ganesh , Bobby G. Sumpter

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.…

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

Materials-by-design has been historically challenging due to complex process-microstructure-property relations. Conventional analytical or simulation-based approaches suffer from low accuracy or long computational time and poor…

Materials Science · Physics 2023-10-24 Xiao Shang , Zhiying Liu , Jiahui Zhang , Tianyi Lyu , Yu Zou

Layout designs are encountered in a variety of fields. For problems with many design degrees of freedom, efficiency of design methods becomes a major concern. In recent years, machine learning methods such as artificial neural networks have…

Machine Learning · Computer Science 2021-02-01 Chao Qian , Renkai Tan , Wenjing Ye

We propose and demonstrate a generative deep learning approach for the shape recognition of an arbitrary object from its acoustic scattering properties. The strategy exploits deep neural networks to learn the mapping between the latent…

Sound · Computer Science 2022-07-13 W. W. Ahmed , M. Farhat , P. -Y. Chen , X. Zhang , Y. Wu

Utilization of classification latent space information for downstream reconstruction and generation is an intriguing and a relatively unexplored area. In general, discriminative representations are rich in class-specific features but are…

Emerging multi-material 3D printing techniques have paved the way for the rational design of metamaterials with not only complex geometries but also arbitrary distributions of multiple materials within those geometries. Varying the spatial…

Materials Science · Physics 2022-04-06 H. Pahlavani , M. Amani , M. Cruz Saldívar , J. Zhou , M. J. Mirzaali , A. A. Zadpoor

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep…

Machine Learning · Computer Science 2023-05-16 Thibaut Issenhuth , Ugo Tanielian , Jérémie Mary , David Picard

Deep generative models provide a systematic way to learn nonlinear data distributions, through a set of latent variables and a nonlinear "generator" function that maps latent points into the input space. The nonlinearity of the generator…

Machine Learning · Statistics 2021-12-14 Georgios Arvanitidis , Lars Kai Hansen , Søren Hauberg

This paper proposes a novel generative adversarial layout refinement network for automated floorplan generation. Our architecture is an integration of a graph-constrained relational GAN and a conditional GAN, where a previously generated…

Computer Vision and Pattern Recognition · Computer Science 2021-03-04 Nelson Nauata , Sepidehsadat Hosseini , Kai-Hung Chang , Hang Chu , Chin-Yi Cheng , Yasutaka Furukawa

Ventilated acoustic silencers combing sound attenuation with high ventilation are pivotal for advanced noise control. However, balancing attenuation, bandwidth, openness, and thickness remains a high-dimensional challenge. Here, we report a…

Applied Physics · Physics 2026-05-18 Zhiwei Yang , Mengyu Li , Xiaohang Xie , Ao Chen , Thomas G. Bifano , Xin Zhang

Deep generative models, particularly denoising diffusion models, have achieved remarkable success in high-fidelity generation of architected microstructures with desired properties and styles. Nevertheless, these recent methods typically…

Computational Engineering, Finance, and Science · Computer Science 2026-01-13 Weipeng Xu , Ziyuan Xie , Haoju Lin , Xinyu Wang , Guangjin Mou , Tianju Xue

A significant development towards inverse design of materials with well-defined target properties is reported. A deep generative model based on variational autoencoder (VAE), conditioned simultaneously by two target properties, is developed…

Materials Science · Physics 2023-11-23 Sourav Mal , Gaurav Seal , Prasenjit Sen

The design of metamaterials which support unique optical responses is the basis for most thin-film nanophotonics applications. In practice this inverse design problem can be difficult to solve systematically due to the large design…

Computational Physics · Physics 2026-05-25 Andrew Lininger , Michael Hinczewski , Giuseppe Strangi

In this paper, we show that the performance of a learnt generative model is closely related to the model's ability to accurately represent the inferred \textbf{latent data distribution}, i.e. its topology and structural properties. We…

Computer Vision and Pattern Recognition · Computer Science 2020-09-02 Shuyu Lin , Ronald Clark