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In the design phase of an electrical machine, finite element (FE) simulation are commonly used to numerically optimize the performance. The output of the magneto-static FE simulation characterizes the electromagnetic behavior of the…

Machine Learning · Computer Science 2022-11-01 Vivek Parekh , Dominik Flore , Sebastian Schöps

Modern functional materials consist of large molecular building blocks with significant chemical complexity which limits spectroscopic property prediction with accurate first-principles methods. Consequently, a targeted design of materials…

Chemical Physics · Physics 2021-07-14 Julia Westermayr , Reinhard J. Maurer

Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…

Materials Science · Physics 2023-06-13 Ashwini Gupta , Anindya Bhaduri , Lori Graham-Brady

In this work, a model based on the Physics - Informed Neural Networks (PINNs) for solving elastic deformation of heterogeneous solids and associated Uncertainty Quantification (UQ) is presented. For the present study, the PINNs framework -…

The understanding of the material properties of the layered transition metal dichalcogenides (TMDs) is critical for their applications in structural composites. The data-driven machine learning (ML) based approaches are being developed in…

Developing deep learning models for resource-constrained Internet-of-Things (IoT) devices is challenging, as it is difficult to achieve both good quality of results (QoR), such as DNN model inference accuracy, and quality of service (QoS),…

Computer Vision and Pattern Recognition · Computer Science 2019-05-22 Xiaofan Zhang , Cong Hao , Yuhong Li , Yao Chen , Jinjun Xiong , Wen-mei Hwu , Deming Chen

This paper addresses the problem of evaluating the quality of finite element meshes for the purpose of structural mechanic simulations. It proposes the application of a machine learning model trained on data collected from expert…

Machine Learning · Computer Science 2021-07-23 Joachim Sprave , Christian Drescher

The accurate and efficient prediction of crack propagation in dielectric materials is a critical challenge in structural health monitoring and the design of smart systems. This work presents a hybrid modeling framework that combines an…

Computational Physics · Physics 2026-02-03 Aamir Dean , Jaykumar Mavani , Betim Bahtiri , Behrouz Arash , Raimund Rolfes

Intrusion Detection Systems (IDSs) must maintain high detection sensitivity while operating under strict false-positive constraints, a challenge intensified by class imbalance and heterogeneous IoT traffic. This work investigates whether…

Quantum Physics · Physics 2026-05-29 Ritvik Bhatnagar , Nouhaila Innan , Angel Arul Jothi J. , Muhammad Shafique

Multiscale problems are widely observed across diverse domains in physics and engineering. Translating these problems into numerical simulations and solving them using numerical schemes, e.g. the finite element method, is costly due to the…

This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material systems. The deep potential molecular…

Materials Science · Physics 2024-04-02 Yubo Qi , Weiyi Gong , Qimin Yan

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

Prediction of toxicity levels of chemical compounds is an important issue in Quantitative Structure-Activity Relationship (QSAR) modeling. Although toxicity prediction has achieved significant progress in recent times through deep learning,…

Machine Learning · Computer Science 2019-07-22 Abdul Karim , Jaspreet Singh , Avinash Mishra , Abdollah Dehzangi , M. A. Hakim Newton , Abdul Sattar

This paper proposes a methodology to estimate stress in the subsurface by a hybrid method combining finite element modeling and neural networks. This methodology exploits the idea of obtaining a multi-frequency solution in the numerical…

Machine Learning · Computer Science 2020-08-27 Xavier Garcia , Adrian Rodriguez-Herrera

Design and analysis of inelastic materials requires prediction of physical responses that evolve under loading. Numerical simulation of such behavior using finite element (FE) approaches can call for significant time and computational…

Materials Science · Physics 2025-07-08 Indrashish Saha , Ashwini Gupta , Lori Graham-Brady

Constitutive models that describe the mechanical behavior of soft tissues have advanced greatly over the past few decades. These expert models are generalizable and require the calibration of a number of parameters to fit experimental data.…

Quantitative Methods · Quantitative Biology 2021-07-13 Vahidullah Tac , Vivek D. Sree , Manuel K. Rausch , Adrian B. Tepole

In recent years, the use of deep learning (DL) methods, including convolutional neural networks (CNNs) and vision transformers (ViTs), has significantly advanced computational pathology, enhancing both diagnostic accuracy and efficiency.…

Quantized deep neural networks (QDNNs) are necessary for low-power, high throughput, and embedded applications. Previous studies mostly focused on developing optimization methods for the quantization of given models. However, quantization…

Machine Learning · Computer Science 2020-06-02 Yoonho Boo , Sungho Shin , Wonyong Sung

We explore the potential of the deep Ritz method to learn complex fracture processes such as quasistatic crack nucleation, propagation, kinking, branching, and coalescence within the unified variational framework of phase-field modeling of…

Applied Physics · Physics 2024-04-23 M. Manav , R. Molinaro , S. Mishra , L. De Lorenzis

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…