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The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system and its electron density or one-particle reduced density…

Chemical Physics · Physics 2023-02-22 Xuecheng Shao , Lukas Paetow , Mark E. Tuckerman , Michele Pavanello

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…

In this contribution, we present a new Materials Knowledge System framework for microstructure-sensitive predictions of effective stress--strain responses in composite materials. The model is developed for composites with a wide range of…

Materials Science · Physics 2018-12-17 Marat I. Latypov , Laszlo S. Toth , Surya R. Kalidindi

The growing use of composite materials in engineering applications has accelerated the demand for computational methods to accurately predict their complex behavior. Multiscale modeling based on computational homogenization is a potentially…

Numerical Analysis · Mathematics 2024-10-18 N. Kovács , M. A. Maia , I. B. C. M. Rocha , C. Furtado , P. P. Camanho , F. P. van der Meer

This paper presents a novel neural model - Dynamic Fusion Network (DFN), for machine reading comprehension (MRC). DFNs differ from most state-of-the-art models in their use of a dynamic multi-strategy attention process, in which passages,…

Computation and Language · Computer Science 2018-02-28 Yichong Xu , Jingjing Liu , Jianfeng Gao , Yelong Shen , Xiaodong Liu

Compressed Sensing Magnetic Resonance Imaging (CS-MRI) significantly accelerates MR data acquisition at a sampling rate much lower than the Nyquist criterion. A major challenge for CS-MRI lies in solving the severely ill-posed inverse…

Image and Video Processing · Electrical Eng. & Systems 2019-10-30 Risheng Liu , Yuxi Zhang , Shichao Cheng , Zhongxuan Luo , Xin Fan

We propose a multiscale computational method for thin-layer flows of complex fluids, termed the synchronized molecular dynamics (SMD) method, which directly couples local molecular dynamics (MD) simulations with a macroscopic lubrication…

Fluid Dynamics · Physics 2026-04-28 Shugo Yasuda , Kotaro Oda , Fumito Muragaki , Yuta Taketa , Masashi Iwayama , Tomohide Ina

Empirically observed time series in physics, biology, or medicine, are commonly generated by some underlying dynamical system (DS) which is the target of scientific interest. There is an increasing interest to harvest machine learning…

Machine Learning · Computer Science 2022-07-07 Daniel Kramer , Philine Lou Bommer , Carlo Tombolini , Georgia Koppe , Daniel Durstewitz

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

Compressed sensing MRI is a classic inverse problem in the field of computational imaging, accelerating the MR imaging by measuring less k-space data. The deep neural network models provide the stronger representation ability and faster…

Computer Vision and Pattern Recognition · Computer Science 2018-04-05 Zhiwen Fan , Liyan Sun , Xinghao Ding , Yue Huang , Congbo Cai , John Paisley

This paper investigates the optimization of 2D and 3D composite structures using machine learning (ML) techniques, focusing on fracture toughness and crack propagation in the Double Cantilever Beam (DCB) test. By exploring the intricate…

Materials Science · Physics 2024-06-25 Mohammad Naqizadeh Jahromi , Mohammad Ravandi

We address the problem of accelerating thin-shell deformable object simulations by dimension reduction. We present a new algorithm to embed a high-dimensional configuration space of deformable objects in a low-dimensional feature space,…

Graphics · Computer Science 2020-03-02 Qingyang Tan , Zherong Pan , Lin Gao , Dinesh Manocha

This study introduces a hybrid machine learning-based scale-bridging framework for predicting the permeability of fibrous textile structures. By addressing the computational challenges inherent to multiscale modeling, the proposed approach…

Machine Learning · Computer Science 2025-07-14 Denis Korolev , Tim Schmidt , Dinesh K. Natarajan , Stefano Cassola , David May , Miro Duhovic , Michael Hintermüller

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely…

Materials Science · Physics 2023-01-12 Huaiqian You , Xiao Xu , Yue Yu , Stewart Silling , Marta D'Elia , John Foster

In recent years, significant advancements have been made in computational methods for analyzing masonry structures. Within the Finite Element Method, two primary approaches have gained traction: Micro and Macro Scale modeling, and their…

Computational Engineering, Finance, and Science · Computer Science 2024-09-02 Alejandro Cornejo , Philip Kalkbrenner , Riccardo Rossi , Luca Pelà

Computational modeling of the structural behavior of continuous fiber composite materials often takes into account the periodicity of the underlying micro-structure. A well established method dealing with the structural behavior of periodic…

Computational Engineering, Finance, and Science · Computer Science 2017-07-17 Charilaos Mylonas , Valentin Bemetz , Eleni Chatzi

To reduce training costs, several Deep neural networks (DNNs) that can learn from a small set of HF data and a sufficient number of low-fidelity (LF) data have been proposed. In these established neural networks, a parallel structure is…

Computational Physics · Physics 2024-05-08 Zhihui Li , Francesco Montomoli

This letter proposes a deep neural network (DNN)-based neuro-adaptive sliding mode control (SMC) strategy for leader-follower tracking in multi-agent systems with higher-order, heterogeneous, nonlinear, and unknown dynamics under external…

Systems and Control · Electrical Eng. & Systems 2025-07-30 Khushal Chaudhari , Krishanu Nath , Manas Kumar Bera

Controlling systems with complex, nonlinear dynamics poses a significant challenge, particularly in achieving efficient and robust control. In this paper, we propose a Dyna-Style Reinforcement Learning control framework that integrates…

Systems and Control · Electrical Eng. & Systems 2025-12-25 Karim Abdelsalam , Zeyad Gamal , Ayman El-Badawy

We introduce a dynamic multiscale tree (DMT) architecture that learns how to leverage the strengths of different existing classifiers for supervised multi-label image segmentation. Unlike previous works that simply aggregate or cascade…

Computer Vision and Pattern Recognition · Computer Science 2017-09-07 Samya Amiri , Mohamed Ali Mahjoub , Islem Rekik
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