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In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

Crystal plasticity (CP) simulations are a tool for understanding how microstructure morphology and texture affect mechanical properties and are an essential component of elucidating the structure-property relations. However, it can be…

Computational Engineering, Finance, and Science · Computer Science 2024-06-17 Junyan He , Deepankar Pal , Ali Najafi , Diab Abueidda , Seid Koric , Iwona Jasiuk

Despite the increasing importance of strain localization modeling (e.g., failure analysis) in computer-aided engineering, there is a lack of effective approaches to capturing relevant material behaviors consistently across multiple length…

Computational Engineering, Finance, and Science · Computer Science 2021-06-16 Zeliang Liu

In this paper, a new data-driven multiscale material modeling method, which we refer to as deep material network, is developed based on mechanistic homogenization theory of representative volume element (RVE) and advanced machine learning…

Computational Engineering, Finance, and Science · Computer Science 2019-01-04 Zeliang Liu , C. T. Wu , M. Koishi

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

Drug membrane interaction is a very significant bioprocess to consider in drug discovery. Here, we propose a novel deep learning framework coined DMInet to study drug-membrane interactions that leverages large-scale Martini coarse-grained…

Biological Physics · Physics 2022-04-07 Guang Chen

We propose a novel representation of crystalline materials named orbital-field matrix (OFM) based on the distribution of valence shell electrons. We demonstrate that this new representation can be highly useful in mining material data. Our…

We extend the FE-DMN method to fully coupled thermomechanical two-scale simulations of composite materials. In particular, every Gauss point of the macroscopic finite element model is equipped with a deep material network (DMN). Such a DMN…

Computational Engineering, Finance, and Science · Computer Science 2021-11-30 Sebastian Gajek , Matti Schneider , Thomas Böhlke

Feed-forward, fully-connected Artificial Neural Networks (ANNs) or the so-called Multi-Layer Perceptrons (MLPs) are well-known universal approximators. However, their learning performance varies significantly depending on the function or…

Computer Vision and Pattern Recognition · Computer Science 2019-10-21 Serkan Kiranyaz , Turker Ince , Alexandros Iosifidis , Moncef Gabbouj

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

Practical applications of mechanical metamaterials often involve solving inverse problems where the objective is to find the (multiple) microarchitectures that give rise to a given set of properties. The limited resolution of additive…

Nonlinear metamaterials with tailored mechanical properties have applications in engineering, medicine, robotics, and beyond. While modeling their macromechanical behavior is challenging in itself, finding structure parameters that lead to…

Graphics · Computer Science 2023-09-20 Yue Li , Stelian Coros , Bernhard Thomaszewski

Current deep neural networks (DNNs) used in materials modeling often lack explicit physical structure and clear analytical formulations tailored to material systems, which can limit their interpretability. In this work, we integrate…

Materials Science · Physics 2026-04-15 Yanxiao Hu , Ye Sheng , Caichao Ye , Wenxing Qian , Xiaoxin Xu , Yabei Wu , Jiong Yang , William A. Goddard , Wenqing Zhang

Simulating and predicting multiscale problems that couple multiple physics and dynamics across many orders of spatiotemporal scales is a great challenge that has not been investigated systematically by deep neural networks (DNNs). Herein,…

Computational Physics · Physics 2021-03-31 Chensen Lin , Zhen Li , Lu Lu , Shengze Cai , Martin Maxey , George Em Karniadakis

Optical neural networks (ONNs) are emerging as a promising neuromorphic computing paradigm for object recognition, offering unprecedented advantages in light-speed computation, ultra-low power consumption, and inherent parallelism. However,…

State-of-the-art fully intrinsic networks for non-rigid shape matching often struggle to disambiguate the symmetries of the shapes leading to unstable correspondence predictions. Meanwhile, recent advances in the functional map framework…

Computer Vision and Pattern Recognition · Computer Science 2022-04-29 Nicolas Donati , Etienne Corman , Maks Ovsjanikov

Metro Origin-Destination (OD) prediction is a crucial yet challenging spatial-temporal prediction task in urban computing, which aims to accurately forecast cross-station ridership for optimizing metro scheduling and enhancing overall…

Computer Vision and Pattern Recognition · Computer Science 2024-12-25 Yang Liu , Binglin Chen , Yongsen Zheng , Lechao Cheng , Guanbin Li , Liang Lin

This work provides an architecture that incorporates depth and tactile information to create rich and accurate 3D models useful for robotic manipulation tasks. This is accomplished through the use of a 3D convolutional neural network (CNN).…

Robotics · Computer Science 2023-02-13 David Watkins , Jacob Varley , Peter Allen

Multimodal deep learning systems are deployed in dynamic scenarios due to the robustness afforded by multiple sensing modalities. Nevertheless, they struggle with varying compute resource availability (due to multi-tenancy, device…

Machine Learning · Computer Science 2025-10-29 Jason Wu , Yuyang Yuan , Kang Yang , Lance Kaplan , Mani Srivastava