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The microstructure is an essential part of materials, storing the genes of materials and having a decisive influence on materials' physical and chemical properties. The material genetic engineering program aims to establish the relationship…

Machine Learning · Computer Science 2021-09-30 Chao Shu , Zhuoran Xin , Cheng Xie

The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…

Materials Science · Physics 2024-09-04 Zahra Kazemi , Craig A. Steeves

Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through…

Materials Science · Physics 2025-05-15 Yu Xin , Peng Liu , Zhuohang Xie , Wenhui Mi , Pengyue Gao , Hong Jian Zhao , Jian Lv , Yanchao Wang , Yanming Ma

This work presents a multi-level modeling and design framework for weft knitted fabrics, beginning with a volumetric finite element analysis capturing their mechanical behavior from fundamental principles. Incorporating yarn-level data, it…

This paper presents a machine learning-based framework for topology optimization of self-supporting structures, specifically tailored for additive manufacturing (AM). By employing a graph neural network (GNN) that acts as a neural field…

Computational Engineering, Finance, and Science · Computer Science 2025-08-27 Alireza Tabarraei , Saquib Ahmad Bhuiyan

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…

Materials Science · Physics 2020-02-19 Zeliang Liu

In the present work, 3D convolutional neural networks (CNNs) are trained to link random heterogeneous, two-phase materials of arbitrary phase fractions to their elastic macroscale stiffness thus replacing explicit homogenization…

Materials Science · Physics 2021-09-08 Bernhard Eidel

Ti/TiN coatings are utilized in a wide variety of engineering applications due to their superior properties such as high hardness and toughness. Doping Al into Ti/TiN can also enhance properties and lead to even higher performance.…

Materials Science · Physics 2024-10-16 Xinyu Jiang , Haofan Sun , Qiong Nian , Houlong Zhuang

A three-dimensional multi-scale computational homogenisation framework is developed for the prediction of nonlinear micro/meso-mechanical response of the fibre-reinforced polymer (FRP) composites. Two dominant damage mechanisms, i.e. matrix…

Computational Engineering, Finance, and Science · Computer Science 2016-10-18 Zahur Ullah , Lukasz Kaczmarczyk , Chris J. Pearce

Efficient deployment of Deep Neural Networks (DNNs), such as Large Language Models (LLMs), on tensor accelerators is essential for maximizing computational efficiency in modern AI systems. However, achieving this is challenging due to the…

Hardware Architecture · Computer Science 2025-12-11 Shuao Jia , Zichao Ling , Chen Bai , Kang Zhao , Jianwang Zhai

Conditional Neural Fields (CNFs) are increasingly being leveraged as continuous signal representations, by associating each data-sample with a latent variable that conditions a shared backbone Neural Field (NeF) to reconstruct the sample.…

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

Materials Science · Physics 2024-11-06 Adam M. Krajewski

We introduce the Free Energy Manifold (FEM), a score-trained conditional energy model specialized for inference in hybrid Bayesian networks with discrete and continuous variables. FEM represents each conditional factor as an energy…

Machine Learning · Computer Science 2026-05-12 Cheol Young Park , Shou Matsumoto

We propose a finite-element local basis-based operator learning framework for solving partial differential equations (PDEs). Operator learning aims to approximate mappings from input functions to output functions, where the latter are…

Numerical Analysis · Mathematics 2025-11-03 Zecheng Zhang , Hao Liu , Guosheng Fu , Hayden Schaeffer , Guang Lin

Simulating the complex interactions between soft tissues and rigid anatomy is critical for applications in surgical training, planning, and robotic-assisted interventions. Traditional Finite Element Method (FEM)-based simulations, while…

Robotics · Computer Science 2025-08-05 Xintian Yuan , Yunke Ao , Boqi Chen , Philipp Fuernstahl

High-fidelity fracture mechanics simulations of multiple microcracks interaction via physics-based models quickly become computationally expensive as the number of microcracks increases. This work develops a Graph Neural Network (GNN) based…

Materials Science · Physics 2022-05-12 Roberto Perera , Davide Guzzetti , Vinamra Agrawal

The vast majority of current machine learning algorithms are designed to predict single responses or a vector of responses, yet many types of response are more naturally organized as matrices or higher-order tensor objects where…

Machine Learning · Statistics 2016-12-23 Nathan H Lazar , Mehmet Gönen , Kemal Sönmez

Although inspired by neuronal systems in the brain, artificial neural networks generally employ point-neurons, which offer far less computational complexity than their biological counterparts. Neurons have dendritic arbors that connect to…

Emerging Technologies · Computer Science 2025-10-22 A N M Nafiul Islam , Xuezhong Niu , Jiahui Duan , Shubham Kumar , Kai Ni , Abhronil Sengupta

This study presents a novel physics-informed neural network (PINN) framework for modeling poroelasticity in heterogeneous media with material interfaces. The approach introduces a composite neural network (CoNN) where separate neural…

Systems and Control · Electrical Eng. & Systems 2024-12-31 Sumanta Roy , Chandrasekhar Annavarapu , Pratanu Roy , Dakshina Murthy Valiveti
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