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Related papers: Generative deep learning for the inverse design of…

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Generative learning generates high dimensional data based on low dimensional conditions, also called prompts. Therefore, generative learning algorithms are eligible for solving (Bayesian) inverse problems. In this article we compare a…

Machine Learning · Computer Science 2026-02-02 Patrick Krüger , Patrick Materne , Werner Krebs , Hanno Gottschalk

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

Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…

Machine Learning · Computer Science 2026-04-01 Yan Lin , Jonas A. Finkler , Tao Du , Jilin Hu , Morten M. Smedskjaer

The inner structure of a material is called microstructure. It stores the genesis of a material and determines all its physical and chemical properties. While microstructural characterization is widely spread and well known, the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Seyed Majid Azimi , Dominik Britz , Michael Engstler , Mario Fritz , Frank Mücklich

The geometric design of structures with optimized physical and chemical properties is one of the core topics in materials science. However, designing new functional materials is challenging due to the vast number of existing and the…

Optics · Physics 2025-07-17 Congcong Cui , Guangfeng Wei , Matthias Saba , Yuanyuan Cao , Lu Han

Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help identify or, in the case of generative models, even create…

Materials Science · Physics 2022-07-28 Victor Fung , Shuyi Jia , Jiaxin Zhang , Sirui Bi , Junqi Yin , P. Ganesh

Generative systems have a significant potential to synthesize innovative design alternatives. Still, most of the common systems that have been adopted in design require the designer to explicitly define the specifications of the procedures…

Machine Learning · Computer Science 2019-04-03 Ardavan Bidgoli , Pedro Veloso

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

Given a set of observations generated by an optimization process, the goal of inverse optimization is to determine likely parameters of that process. We cast inverse optimization as a form of deep learning. Our method, called deep inverse…

Machine Learning · Computer Science 2018-12-04 Yingcong Tan , Andrew Delong , Daria Terekhov

We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…

Materials Science · Physics 2025-07-31 Joseph J. Webb , Richard Beanland , Rudolf A. Römer

In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstruction and generation remain significant challenges. In this…

Materials Science · Physics 2024-10-01 Yixuan Zhang , Teng Long , Hongbin Zhang

We devised a general heterogeneous microstructural design methodology applied to a specific material system, elasto-electro-active piezoelectric ceramic embedded plastics, which has great potential in sensing, 5G communication, and energy…

Materials Science · Physics 2025-07-25 Mohammad Saber Hashemi , Khiem Nguyen , Levi Kirby , Xuan Song , Azadeh Sheidaei

Machine-learning generative methods for material design are constructed by representing a given chemical structure, either a solid or a molecule, over appropriate atomic features, generally called structural descriptors. These must be fully…

Materials Science · Physics 2022-07-20 Matteo Cobelli , Paddy Cahalane , Stefano Sanvito

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

Subwavelength photonic structures and metamaterials provide revolutionary approaches for controlling light. The inverse design methods proposed for these subwavelength structures are vital to the development of new photonic devices.…

Deep learning (DL) has revolutionized many fields such as materials design and protein folding. Recent studies have demonstrated the advantages of DL in the inverse design of structural colors, by effectively learning the complex nonlinear…

Optics · Physics 2026-05-22 Sichao Shan , Han Ye , Zhengmei Yang , Junpeng Hou , Zhitong Li

Modern generative machine learning models demonstrate surprising ability to create realistic outputs far beyond their training data, such as photorealistic artwork, accurate protein structures, or conversational text. These successes…

Machine Learning · Computer Science 2024-01-17 William Gilpin

The synthesis of nanocrystals has been highly dependent on trial-and-error, due to the complex correlation between synthesis parameters and physicochemical properties. Although deep learning offers a potential methodology to achieve…

Materials Science · Physics 2026-01-07 Kai Gu , Yingping Liang , Senliang Peng , Aotian Guo , Haizheng Zhong , Ying Fu

Many phenomena in physics, including light, water waves, and sound, are described by wave equations. Given their coefficients, wave equations can be solved to high accuracy, but the presence of the wavelength scale often leads to large…

Computational Physics · Physics 2025-02-19 Timo Gahlmann , Philippe Tassin

Generative Adversarial Networks have shown remarkable success in learning a distribution that faithfully recovers a reference distribution in its entirety. However, in some cases, we may want to only learn some aspects (e.g., cluster or…

Machine Learning · Computer Science 2019-05-16 Charlotte Bunne , David Alvarez-Melis , Andreas Krause , Stefanie Jegelka