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Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations and the proliferation of deep learning assisted design, grand…

Computational Engineering, Finance, and Science · Computer Science 2024-03-28 Doksoo Lee , Lu Zhang , Yue Yu , Wei Chen

The design of fusion devices is typically based on computationally expensive simulations. This can be alleviated using high aspect ratio models that employ a reduced number of free parameters, especially in the case of stellarator…

Plasma Physics · Physics 2025-02-26 P. Curvo , D. R. Ferreira , R. Jorge

Many natural materials exhibit highly complex, nonlinear, anisotropic, and heterogeneous mechanical properties. Recently, it has been demonstrated that data-driven strain energy functions possess the flexibility to capture the behavior of…

Computational Engineering, Finance, and Science · Computer Science 2023-10-09 Vahidullah Tac , Manuel K Rausch , Ilias Bilionis , Francisco Sahli Costabal , Adrian Buganza Tepole

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

We introduce a novel representation for learning and generating Computer-Aided Design (CAD) models in the form of $\textit{boundary representations}$ (B-Reps). Our representation unifies the continuous geometric properties of B-Rep…

Graphics · Computer Science 2025-05-13 Yilin Liu , Duoteng Xu , Xingyao Yu , Xiang Xu , Daniel Cohen-Or , Hao Zhang , Hui Huang

The common trade-offs of state-of-the-art methods for multi-shape representation (a single model "packing" multiple objects) involve trading modeling accuracy against memory and storage. We show how to encode multiple shapes represented as…

Computer Vision and Pattern Recognition · Computer Science 2024-06-07 Sergey Zakharov , Katherine Liu , Adrien Gaidon , Rares Ambrus

A wide range of applications require learning image generation models whose latent space effectively captures the high-level factors of variation present in the data distribution. The extent to which a model represents such variations…

Computer Vision and Pattern Recognition · Computer Science 2021-11-09 Avinandan Bose , Aniket Das , Yatin Dandi , Piyush Rai

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…

Recent methods have shown that pre-trained diffusion models can be fine-tuned to enable generative inverse rendering by learning image-conditioned noise-to-intrinsic mapping. Despite their remarkable progress, they struggle to robustly…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Rongjia Zheng , Qing Zhang , Chengjiang Long , Wei-Shi Zheng

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Machine Learning · Computer Science 2025-08-05 Euihyun Kim , Keun Park , Yeoneung Kim

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu

In most existing learning systems, images are typically viewed as 2D pixel arrays. However, in another paradigm gaining popularity, a 2D image is represented as an implicit neural representation (INR) - an MLP that predicts an RGB pixel…

Computer Vision and Pattern Recognition · Computer Science 2021-06-29 Ivan Skorokhodov , Savva Ignatyev , Mohamed Elhoseiny

We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and…

Numerical Analysis · Mathematics 2020-05-12 Kailai Xu , Alexandre M. Tartakovsky , Jeff Burghardt , Eric Darve

All-dielectric metasurfaces exhibit exotic electromagnetic responses, similar to those obtained with metal-based metamaterials. Research in all-dielectric metasurfaces currently uses relatively simple unit-cell designs, but increased…

Optics · Physics 2020-12-10 Yang Deng , Simiao Ren , Kebin Fan , Jordan M. Malof , Willie J. Padilla

Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…

Generative artificial intelligence offers a new paradigm to design matter in high-dimensional spaces. However, its underlying mechanisms remain difficult to interpret and limit adoption in computational mechanics. This gap is striking…

Computational Engineering, Finance, and Science · Computer Science 2026-05-13 Vahidullah Tac , Ellen Kuhl

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be…

Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the…

Machine Learning · Computer Science 2023-04-06 Kamil Deja , Tomasz Trzcinski , Jakub M. Tomczak

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen
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