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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,…

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

Thin films are ubiquitous in modern technology and highly useful in materials discovery and design. For achieving optimal extrinsic properties their microstructure needs to be controlled in a multi-parameter space, which usually requires a…

Applied Physics · Physics 2020-03-31 Lars Banko , Yury Lysogorskiy , Dario Grochla , Dennis Naujoks , Ralf Drautz , Alfred Ludwig

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

In real world domains, most graphs naturally exhibit a hierarchical structure. However, data-driven graph generation is yet to effectively capture such structures. To address this, we propose a novel approach that recursively generates…

Machine Learning · Computer Science 2023-06-01 Mahdi Karami , Jun Luo

Data-driven materials design often encounters challenges where systems require or possess qualitative (categorical) information. Metal-organic frameworks (MOFs) are an example of such material systems. The representation of MOFs through…

Materials Science · Physics 2023-11-16 Yigitcan Comlek , Thang Duc Pham , Randall Snurr , Wei Chen

Deep generative models have proven useful for automatic design synthesis and design space exploration. However, they face three challenges when applied to engineering design: 1) generated designs lack diversity, 2) it is difficult to…

Machine Learning · Computer Science 2020-07-10 Wei Chen , Faez Ahmed

Modular design maximizes utility by using standardized components in large-scale systems. From a manufacturing perspective, it supports green technology by reducing material waste and improving reusability. Industrially, it offers economic…

Emerging Technologies · Computer Science 2025-03-18 Sumin Lee , Namwoo Kang

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

Dynamic manufacturing processes exhibit complex characteristics defined by time-varying parameters, nonlinear behaviors, and uncertainties. These characteristics require sophisticated in-situ monitoring techniques utilizing multimodal…

Machine Learning · Computer Science 2025-08-26 Suk Ki Lee , Hyunwoong Ko

In recent years generative design techniques have become firmly established in numerous applied fields, especially in engineering. These methods are demonstrating intensive growth owing to promising outlook. However, existing approaches are…

Neural and Evolutionary Computing · Computer Science 2022-12-29 Nikita O. Starodubcev , Nikolay O. Nikitin , Konstantin G. Gavaza , Elizaveta A. Andronova , Denis O. Sidorenko , Anna V. Kalyuzhnaya

Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of…

Machine Learning · Computer Science 2022-07-05 Jiaxin Wu , Pingfeng Wang

The ability to accurately quantify the performance an additively manufactured (AM) product is important for a widespread industry adoption of AM as the design is required to: (1) satisfy geometrical constraints, (2) satisfy structural…

Computational Engineering, Finance, and Science · Computer Science 2018-11-05 Erva Ulu

Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…

Materials Science · Physics 2024-08-28 Harikrishnan Vijayakumaran , Jonathan B. Russ , Glaucio H. Paulino , Miguel A. Bessa

Deep Generative Machine Learning Models (DGMs) have been growing in popularity across the design community thanks to their ability to learn and mimic complex data distributions. DGMs are conventionally trained to minimize statistical…

Machine Learning · Computer Science 2022-06-16 Lyle Regenwetter , Faez Ahmed

Manufacturing processes are inherently dynamic and uncertain, with varying parameters and nonlinear behaviors, making robust control essential for maintaining quality and reliability. Traditional control methods often fail under these…

Systems and Control · Electrical Eng. & Systems 2025-11-25 Suk Ki Lee , Ronnie F. P. Stone , Max Gao , Wenlong Zhang , Zhenghui Sha , Hyunwoong Ko

The design of adaptive structures is one method to improve sustainability of buildings. Adaptive structures are able to adapt to different loading and environmental conditions or to changing requirements by either small or large shape…

Computational Engineering, Finance, and Science · Computer Science 2020-12-08 Renate Sachse , Florian Geiger , Manfred Bischoff

One of the challenging issues in additive manufacturing (AM) oriented topology optimization is how to design structures that are self-supportive in a manufacture process without introducing additional supporting materials. In the present…

Applied Physics · Physics 2017-08-02 Xu Guo , Jianhua Zhou , Weisheng Zhang , Zongliang Du , Chang Liu , Ying Liu

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of…