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The Residual Network (ResNet), proposed in He et al. (2015), utilized shortcut connections to significantly reduce the difficulty of training, which resulted in great performance boosts in terms of both training and generalization error. It…

Neural and Evolutionary Computing · Computer Science 2017-05-23 Sihan Li , Jiantao Jiao , Yanjun Han , Tsachy Weissman

Machine learning (ML) is becoming increasingly popular for predicting material properties to accelerate materials discovery. Because material properties are strongly affected by its crystal structure, a key issue is converting the crystal…

Materials Science · Physics 2023-10-12 Hirofumi Tsuruta , Yukari Katsura , Masaya Kumagai

A key attribute that drives the unprecedented success of modern Recurrent Neural Networks (RNNs) on learning tasks which involve sequential data, is their ability to model intricate long-term temporal dependencies. However, a well…

Machine Learning · Computer Science 2020-03-24 Alon Ziv

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

Most AI-for-Materials research to date has focused on ideal crystals, whereas real-world materials inevitably contain defects that play a critical role in modern functional technologies. The defects break geometric symmetry and increase…

Materials Science · Physics 2025-06-03 Ziduo Yang , Xiaoqing Liu , Xiuying Zhang , Pengru Huang , Kostya S. Novoselov , Lei Shen

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Existing learning-based surface reconstruction methods from point clouds are still facing challenges in terms of scalability and preservation of details on large-scale point clouds. In this paper, we propose the SSRNet, a novel scalable…

Computer Vision and Pattern Recognition · Computer Science 2020-04-15 Zhenxing Mi , Yiming Luo , Wenbing Tao

In visual recognition, the key to the performance improvement of ResNet is the success in establishing the stack of deep sequential convolutional layers using identical mapping by a shortcut connection. It results in multiple paths of data…

Computer Vision and Pattern Recognition · Computer Science 2018-11-19 Jung HyoungHo , Lee Ryong , Lee Sanghwan , Hwang Wonjun

Machine learning plays a role in many aspects of modern IR systems, and deep learning is applied in all of them. The fast pace of modern-day research has given rise to many approaches to many IR problems. The amount of information available…

Information Retrieval · Computer Science 2018-01-09 Tom Kenter , Alexey Borisov , Christophe Van Gysel , Mostafa Dehghani , Maarten de Rijke , Bhaskar Mitra

Achieving accurate material segmentation for 3-channel RGB images is challenging due to the considerable variation in a material's appearance. Hyperspectral images, which are sets of spectral measurements sampled at multiple wavelengths,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Yuwen Heng , Yihong Wu , Jiawen Chen , Srinandan Dasmahapatra , Hansung Kim

Deep neural networks (DNN) excel at extracting patterns. Through representation learning and automated feature engineering on large datasets, such models have been highly successful in computer vision and natural language applications.…

Machine Learning · Computer Science 2018-09-17 Khushmeen Sakloth , Wesley Beckner , Jim Pfaendtner , Garrett B. Goh

Deep learning has arguably achieved tremendous success in recent years. In simple words, deep learning uses the composition of many nonlinear functions to model the complex dependency between input features and labels. While neural networks…

Machine Learning · Statistics 2019-04-16 Jianqing Fan , Cong Ma , Yiqiao Zhong

Deep Material Networks (DMNs) are structure-preserving, mechanistic machine learning models that embed micromechanical principles into their architectures, enabling strong extrapolation capabilities and significant potential to accelerate…

Machine Learning · Computer Science 2026-02-10 Xiaolong He , Haoyan Wei , Wei Hu , Henan Mao , C. T. Wu

Graph networks are a new machine learning (ML) paradigm that supports both relational reasoning and combinatorial generalization. Here, we develop universal MatErials Graph Network (MEGNet) models for accurate property prediction in both…

Materials Science · Physics 2019-04-29 Chi Chen , Weike Ye , Yunxing Zuo , Chen Zheng , Shyue Ping Ong

Accurately predicting the physical and chemical properties of materials remains one of the most challenging tasks in material design, and one effective strategy is to construct a reliable data set and use it for training a machine learning…

Materials Science · Physics 2021-12-30 Pin Chen , Jianwen Chen , Hui Yan , Qing Mo , Zexin Xu , Jinyu Liu , Wenqing Zhang , Yuedong Yang , Yutong Lu

Deep neural networks are powerful tools for solving nonlinear problems in science and engineering, but training highly accurate models becomes challenging as problem complexity increases. Non-convex optimization and sensitivity to…

Machine Learning · Computer Science 2026-04-20 Ethan Mulle , Wei Kang , Qi Gong

In deep learning, dense layer connectivity has become a key design principle in deep neural networks (DNNs), enabling efficient information flow and strong performance across a range of applications. In this work, we model densely connected…

Machine Learning · Computer Science 2025-10-03 Jinshu Huang , Haibin Su , Xue-Cheng Tai , Chunlin Wu

Traditional approaches based on finite element analyses have been successfully used to predict the macro-scale behavior of heterogeneous materials (composites, multicomponent alloys, and polycrystals) widely used in industrial applications.…

Materials Science · Physics 2022-11-24 Rajat Arora

One of the long-standing problems in materials science is how to predict a material's structure and then its properties given only its composition. Experimental characterization of crystal structures has been widely used for structure…

Materials Science · Physics 2022-03-29 Rongzhi Dong , Yong Zhao , Yuqi Song , Nihang Fu , Sadman Sadeed Omee , Sourin Dey , Qinyang Li , Lai Wei , Jianjun Hu

Residual deep neural networks (ResNets) are mathematically described as interacting particle systems. In the case of infinitely many layers the ResNet leads to a system of coupled system of ordinary differential equations known as neural…

Analysis of PDEs · Mathematics 2022-05-11 M. Herty , A. Thuenen , T. Trimborn , G. Visconti