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This paper addresses 3D shape recognition. Recent work typically represents a 3D shape as a set of binary variables corresponding to 3D voxels of a uniform 3D grid centered on the shape, and resorts to deep convolutional neural…

Computer Vision and Pattern Recognition · Computer Science 2016-12-15 Xu Xu , Sinisa Todorovic

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to…

Machine Learning · Computer Science 2023-07-20 Wang Zhang , Tsui-Wei Weng , Subhro Das , Alexandre Megretski , Luca Daniel , Lam M. Nguyen

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we adapt some of these techniques for protein secondary structure prediction. We first train…

Machine Learning · Computer Science 2016-11-07 Akosua Busia , Jasmine Collins , Navdeep Jaitly

Convolutional neural networks (CNNs) are deep learning frameworks which are well-known for their notable performance in classification tasks. Hence, many skeleton-based action recognition and segmentation (SBARS) algorithms benefit from…

Machine Learning · Computer Science 2019-11-13 Babak Hosseini , Romain Montagne , Barbara Hammer

Molecular dynamics (MD) is a powerful tool for exploring the behavior of atomistic systems, but its reliance on sequential numerical integration limits simulation efficiency. We present a novel neural network architecture, MDtrajNet, and a…

Chemical Physics · Physics 2026-03-17 Fuchun Ge , Yuxinxin Chen , Pavlo O. Dral

Atomistic modeling of energetic disorder in organic semiconductors (OSCs) and its effects on the optoelectronic properties of OSCs requires a large number of excited-state electronic-structure calculations, a computationally daunting task…

Chemical Physics · Physics 2021-05-10 Chengqiang Lu , Qi Liu , Qiming Sun , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi , Chee-Kong Lee

In this work, we investigate the feasibility and effectiveness of employing deep learning algorithms for automatic recognition of the modulation type of received wireless communication signals from subsampled data. Recent work considered a…

Signal Processing · Electrical Eng. & Systems 2019-01-18 Sharan Ramjee , Shengtai Ju , Diyu Yang , Xiaoyu Liu , Aly El Gamal , Yonina C. Eldar

Deep convolutional neural networks have achieved remarkable success in computer vision. However, deep neural networks require large computing resources to achieve high performance. Although depthwise separable convolution can be an…

Computer Vision and Pattern Recognition · Computer Science 2019-09-06 Yunyang Xiong , Hyunwoo J. Kim , Varsha Hedau

Inspired by the great success of deep neural networks, learning-based methods have gained promising performances for metal artifact reduction (MAR) in computed tomography (CT) images. However, most of the existing approaches put less…

Image and Video Processing · Electrical Eng. & Systems 2025-08-04 Hong Wang , Yuexiang Li , Deyu Meng , Yefeng Zheng

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

Machine Learning · Computer Science 2020-08-28 Shengli Jiang , Prasanna Balaprakash

Knowledge of molecular subtypes of gliomas can provide valuable information for tailored therapies. This study aimed to investigate the use of deep convolutional neural networks (DCNNs) for noninvasive glioma subtyping with radiological…

Image and Video Processing · Electrical Eng. & Systems 2022-03-14 Dong Wei , Yiming Li , Yinyan Wang , Tianyi Qian , Yefeng Zheng

In this paper, we propose a Deep Active Ray Network (DARNet) for automatic building segmentation. Taking an image as input, it first exploits a deep convolutional neural network (CNN) as the backbone to predict energy maps, which are…

Computer Vision and Pattern Recognition · Computer Science 2019-05-16 Dominic Cheng , Renjie Liao , Sanja Fidler , Raquel Urtasun

Early diagnosis, playing an important role in preventing progress and treating the Alzheimer's disease (AD), is based on classification of features extracted from brain images. The features have to accurately capture main AD-related…

Machine Learning · Computer Science 2016-07-05 Ehsan Hosseini-Asl , Georgy Gimel'farb , Ayman El-Baz

The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug…

Machine Learning · Computer Science 2020-05-26 Farshid Rayhan , Sajid Ahmed , Zaynab Mousavian , Dewan Md Farid , Swakkhar Shatabda

As vast databases of chemical identities become increasingly available, the challenge shifts to how we effectively explore and leverage these resources to study molecular properties. This paper presents an active learning approach for…

Machine Learning · Computer Science 2025-07-17 Ayana Ghosh , Maxim Ziatdinov , Sergei V. Kalinin

Peptide-drug conjugates (PDCs) represent a promising therapeutic avenue for human diseases, particularly in cancer treatment. Systematic elucidation of structure-activity relationships (SARs) and accurate prediction of the activity of PDCs…

Machine Learning · Computer Science 2025-06-17 Yun Liu , Jintu Huang , Yingying Zhu , Congrui Wen , Yu Pang , Ji-Quan Zhang , Ling Wang

We present new algorithms for adaptively learning artificial neural networks. Our algorithms (AdaNet) adaptively learn both the structure of the network and its weights. They are based on a solid theoretical analysis, including…

Machine Learning · Computer Science 2017-03-01 Corinna Cortes , Xavi Gonzalvo , Vitaly Kuznetsov , Mehryar Mohri , Scott Yang

Convolutional Neural Network (CNN) has gained state-of-the-art results in many pattern recognition and computer vision tasks. However, most of the CNN structures are manually designed by experienced researchers. Therefore, auto- matically…

Neural and Evolutionary Computing · Computer Science 2018-10-26 Guoqiang Zhong , Tao Li , Wenxue Liu , Yang Chen

Convolutional neural networks (CNN) are increasingly used in many areas of computer vision. They are particularly attractive because of their ability to "absorb" great quantities of labeled data through millions of parameters. However, as…

Machine Learning · Computer Science 2015-06-16 Wenlin Chen , James T. Wilson , Stephen Tyree , Kilian Q. Weinberger , Yixin Chen

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…

Computer Vision and Pattern Recognition · Computer Science 2017-03-07 Lingxi Xie , Alan Yuille