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Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is…

Computational Engineering, Finance, and Science · Computer Science 2020-09-17 Liwei Wang , Yu-Chin Chan , Faez Ahmed , Zhao Liu , Ping Zhu , Wei Chen

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

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

Constitutive modeling based on continuum mechanics theory has been a classical approach for modeling the mechanical responses of materials. However, when constitutive laws are unknown or when defects and/or high degrees of heterogeneity are…

Machine Learning · Computer Science 2022-07-27 Huaiqian You , Quinn Zhang , Colton J. Ross , Chung-Hao Lee , Yue Yu

Predicting the microstructural and morphological evolution of materials through phase-field modelling is computationally intensive, particularly for high-throughput parametric studies. While neural operators such as the Fourier neural…

Machine Learning · Computer Science 2026-03-11 Nanxi Chen , Airong Chen , Rujin Ma

The predictive accuracy of operator learning frameworks depends on the quality and quantity of available training data (input-output function pairs), often requiring substantial amounts of high-fidelity data, which can be challenging to…

Machine Learning · Computer Science 2025-10-29 Sumanta Roy , Bahador Bahmani , Ioannis G. Kevrekidis , Michael D. Shields

Data-driven methods have emerged as powerful tools for modeling the responses of complex nonlinear materials directly from experimental measurements. Among these methods, the data-driven constitutive models present advantages in physical…

Machine Learning · Computer Science 2025-05-05 Jihong Wang , Xiaochuan Tian , Zhongqiang Zhang , Stewart Silling , Siavash Jafarzadeh , Yue Yu

Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new…

Modelling complex multiphysics systems governed by nonlinear and strongly coupled partial differential equations (PDEs) is a cornerstone in computational science and engineering. However, it remains a formidable challenge for traditional…

Machine Learning · Computer Science 2025-02-28 Biao Yuan , He Wang , Yanjie Song , Ana Heitor , Xiaohui Chen

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Recently, machine learning has been introduced in the inverse design of physical devices, i.e., the automatic generation of device geometries for a desired physical response. In particular, generative adversarial networks have been proposed…

Optics · Physics 2025-02-18 Timo Gahlmann , Philippe Tassin

Accurate and efficient solutions of spatiotemporal partial differential equations (PDEs), such as phase-field models, are fundamental for understanding interfacial dynamics and microstructural evolution in materials science and fluid…

Computational Physics · Physics 2026-02-19 Mostafa Bamdad , Mohammad Sadegh Eshaghi , Cosmin Anitescu , Navid Valizadeh , Timon Rabczuk

Solving high-dimensional partial differential equations (PDEs) efficiently requires handling multi-scale features across varying resolutions. To address this challenge, we present the Multiwavelet-based Multigrid Neural Operator (M2NO), a…

Machine Learning · Computer Science 2025-12-15 Zhihao Li , Zhilu Lai , Xiaobo Zhang , Wei Wang

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

We propose a new class of physics-informed neural networks, called Physics-Informed Generator-Encoder Adversarial Networks, to effectively address the challenges posed by forward, inverse, and mixed problems in stochastic differential…

Machine Learning · Computer Science 2023-11-06 Ruisong Gao , Min Yang , Jin Zhang

Energy efficiency remains a critical challenge in deploying physics-informed operator learning models for computational mechanics and scientific computing, particularly in power-constrained settings such as edge and embedded devices, where…

Computational Physics · Physics 2026-03-24 Shailesh Garg , Luis Mandl , Somdatta Goswami , Souvik Chakraborty

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…

We create an data-efficient and accurate surrogate model for structure-property linkages of spinodoid metamaterials with only 75 data points -- far fewer than the several thousands used in prior works -- and demonstrate its use in…

Computational Engineering, Finance, and Science · Computer Science 2025-05-12 Max Rosenkranz , Markus Kästner , Ivo F. Sbalzarini

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

Optics · Physics 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use…

Machine Learning · Computer Science 2023-06-01 Songming Liu , Zhongkai Hao , Chengyang Ying , Hang Su , Ze Cheng , Jun Zhu

This paper proposes a physics-informed neural operator (PINO) framework for solving inverse scattering problems, enabling rapid and accurate reconstructions under diverse measurement conditions. In the proposed approach, the dielectric…

Computational Physics · Physics 2026-03-27 Q. C. Dong , Zi-Xuan Su , Qing Huo Liu , Wen Chen , Zhizhang , Chen