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Inverse design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. The massive combinational spaces due to the constituent elements and their…

Computational Physics · Physics 2019-08-22 Yuan Dong , Dawei Li , Chi Zhang , Chuhan Wu , Hong Wang , Ming Xin , Jianlin Cheng , Jian Lin

Microstructural materials design is one of the most important applications of inverse modeling in materials science. Generally speaking, there are two broad modeling paradigms in scientific applications: forward and inverse. While the…

Machine Learning · Computer Science 2021-01-27 Zijiang Yang , Dipendra Jha , Arindam Paul , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

In this study, we propose a novel deep learning-based method to predict an optimized structure for a given boundary condition and optimization setting without using any iterative scheme. For this purpose, first, using open-source topology…

Machine Learning · Computer Science 2018-10-30 Yonggyun Yu , Taeil Hur , Jaeho Jung , In Gwun Jang

With the growth of adversarial attacks against machine learning models, several concerns have emerged about potential vulnerabilities in designing deep neural network-based intrusion detection systems (IDS). In this paper, we study the…

Machine Learning · Computer Science 2019-11-01 Rana Abou Khamis , Omair Shafiq , Ashraf Matrawy

A novel medium Mn steel of composition Fe-12Mn-4.8Al-2Si-0.32C-0.3V was manufactured with 1.09 GPa yield strength, 1.26 GPa tensile strength and 54% elongation. The thermomechanical process route was designed to be industrially translatable…

Materials Science · Physics 2020-04-22 T W J Kwok , K M Rahman , X Xu , I Bantounas , J F Kelleher , S Daswari , T Alam , R Banerjee , D Dye

We present a data-driven framework for the multiscale modeling of anisotropic finite strain elasticity based on physics-augmented neural networks (PANNs). Our approach allows the efficient simulation of materials with complex underlying…

Computational Engineering, Finance, and Science · Computer Science 2024-10-07 Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner

This work presents a two-stage adaptive framework for progressively developing deep neural network (DNN) architectures that generalize well for a given training data set. In the first stage, a layerwise training approach is adopted where a…

Machine Learning · Computer Science 2024-09-24 C G Krishnanunni , Tan Bui-Thanh

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Digital holography is a 3D imaging technique by emitting a laser beam with a plane wavefront to an object and measuring the intensity of the diffracted waveform, called holograms. The object's 3D shape can be obtained by numerical analysis…

Information Retrieval · Computer Science 2022-07-14 Xiwen Chen , Hao Wang , Abolfazl Razi , Michael Kozicki , Christopher Mann

We propose a physics-informed machine learning framework called P-DivGNN to reconstruct local stress fields at the micro-scale, in the context of multi-scale simulation given a periodic micro-structure mesh and mean, macro-scale, stress…

Machine Learning · Computer Science 2025-07-09 Manuel Ricardo Guevara Garban , Yves Chemisky , Étienne Prulière , Michaël Clément

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

Predicting fracture load in laminated composites with stress raisers is challenging due to complex failure mechanisms such as delamination, fibre breakage, and matrix cracking, which are heavily influenced by fibre orientation, layup…

Computational Physics · Physics 2025-10-20 Amir Mohammad Mirzaei

The choice of parameters, and the design of the network architecture are important factors affecting the performance of deep neural networks. However, there has not been much work on developing an established and systematic way of building…

Neural and Evolutionary Computing · Computer Science 2018-05-25 Burak Kakillioglu , Yantao Lu , Senem Velipasalar

Designing resource-efficient Deep Neural Networks (DNNs) is critical to deploy deep learning solutions over edge platforms due to diverse performance, power, and memory budgets. Unfortunately, it is often the case a well-trained ML model…

Machine Learning · Computer Science 2020-06-09 Sheng-Chun Kao , Arun Ramamurthy , Reed Williams , Tushar Krishna

The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…

Machine Learning · Computer Science 2024-02-27 Yilin Zheng , Zhigong Song

Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…

Materials Science · Physics 2024-08-05 Yaohua Zang , Phaedon-Stelios Koutsourelakis

The generation of multiphase porous electrode microstructures is a critical step in the optimisation of electrochemical energy storage devices. This work implements a deep convolutional generative adversarial network (DC-GAN) for generating…

Neural and Evolutionary Computing · Computer Science 2020-05-06 Andrea Gayon-Lombardo , Lukas Mosser , Nigel P. Brandon , Samuel J. Cooper

We apply a deep convolutional neural network segmentation model to enable novel automated microstructure segmentation applications for complex microstructures typically evaluated manually and subjectively. We explore two microstructure…

Computer Vision and Pattern Recognition · Computer Science 2019-02-06 Brian L. DeCost , Bo Lei , Toby Francis , Elizabeth A. Holm

Drawing inspiration from the achievements of natural language processing, we adopt self-supervised learning and utilize an equivariant graph neural network to develop a unified platform designed for training generative models capable of…

Materials Science · Physics 2024-08-21 Fangze Liu , Zhantao Chen , Tianyi Liu , Ruyi Song , Yu Lin , Joshua J. Turner , Chunjing Jia

We propose a physics-augmented neural network (PANN) framework for finite strain incompressible viscoelasticity within the generalized standard materials theory. The formulation is based on the multiplicative decomposition of the…

Computational Engineering, Finance, and Science · Computer Science 2025-11-06 Karl A. Kalina , Jörg Brummund , Markus Kästner