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Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

In the context of fine-grained visual categorization, the ability to interpret models as human-understandable visual manuals is sometimes as important as achieving high classification accuracy. In this paper, we propose a novel Part-Stacked…

Computer Vision and Pattern Recognition · Computer Science 2019-08-17 Shaoli Huang , Zhe Xu , Dacheng Tao , Ya Zhang

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks,…

Machine Learning · Statistics 2018-08-28 Saurabh Verma , Zhi-Li Zhang

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Graph Neural Networks (GNNs) are a popular technique for modelling graph-structured data and computing node-level representations via aggregation of information from the neighborhood of each node. However, this aggregation implies an…

Machine Learning · Computer Science 2022-08-30 Ameya Daigavane , Gagan Madan , Aditya Sinha , Abhradeep Guha Thakurta , Gaurav Aggarwal , Prateek Jain

Graph representation learning has attracted much attention in supporting high quality candidate search at scale. Despite its effectiveness in learning embedding vectors for objects in the user-item interaction network, the computational…

Information Retrieval · Computer Science 2020-03-05 Qiaoyu Tan , Ninghao Liu , Xing Zhao , Hongxia Yang , Jingren Zhou , Xia Hu

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

Machine Learning · Computer Science 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Deep learning with 3D data such as reconstructed point clouds and CAD models has received great research interests recently. However, the capability of using point clouds with convolutional neural network has been so far not fully explored.…

Computer Vision and Pattern Recognition · Computer Science 2018-03-30 Binh-Son Hua , Minh-Khoi Tran , Sai-Kit Yeung

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Fine-grained object categorization aims for distinguishing objects of subordinate categories that belong to the same entry-level object category. The task is challenging due to the facts that (1) training images with ground-truth labels are…

Computer Vision and Pattern Recognition · Computer Science 2019-12-05 Yabin Zhang , Kui Jia , Zhixin Wang

Existing defects in software components is unavoidable and leads to not only a waste of time and money but also many serious consequences. To build predictive models, previous studies focus on manually extracting features or using tree…

Software Engineering · Computer Science 2018-02-15 Anh Viet Phan , Minh Le Nguyen , Lam Thu Bui

Deep learning techniques involving image processing and data analysis are constantly evolving. Many domains adapt these techniques for object segmentation, instantiation and classification. Recently, agricultural industries adopted those…

Computer Vision and Pattern Recognition · Computer Science 2019-03-21 Dmitry Kuznichov , Alon Zvirin , Yaron Honen , Ron Kimmel

Graph data widely exists in real life, with large amounts of data and complex structures. It is necessary to map graph data to low-dimensional embedding. Graph classification, a critical graph task, mainly relies on identifying the…

Machine Learning · Computer Science 2023-10-26 Yuan Li , Li Liu , Penggang Chen , Youmin Zhang , Guoyin Wang

The last few years have seen an increasing wave of attacks with serious economic and privacy damages, which evinces the need for accurate Network Intrusion Detection Systems (NIDS). Recent works propose the use of Machine Learning (ML)…

Cryptography and Security · Computer Science 2021-08-02 David Pujol-Perich , José Suárez-Varela , Albert Cabellos-Aparicio , Pere Barlet-Ros

The field of autonomous driving technology is rapidly advancing, with deep learning being a key component. Particularly in the field of sensing, 3D point cloud data collected by LiDAR is utilized to run deep neural network models for 3D…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-05 Taisuke Noguchi , Takuya Azumi

Point clouds obtained from 3D scans are typically sparse, irregular, and noisy, and required to be consolidated. In this paper, we present the first deep learning based edge-aware technique to facilitate the consolidation of point clouds.…

Computer Vision and Pattern Recognition · Computer Science 2018-07-18 Lequan Yu , Xianzhi Li , Chi-Wing Fu , Daniel Cohen-Or , Pheng-Ann Heng

Modern scientific and technological advances allow botanists to use computer vision-based approaches for plant identification tasks. These approaches have their own challenges. Leaf classification is a computer-vision task performed for the…

Computer Vision and Pattern Recognition · Computer Science 2022-08-19 Ali Beikmohammadi , Karim Faez , Ali Motallebi

Perception of traversable regions and objects of interest from a 3D point cloud is one of the critical tasks in autonomous navigation. A ground vehicle needs to look for traversable terrains that are explorable by wheels. Then, to make safe…

In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investigated chemical compounds, but in cases the details of the…

Machine Learning · Statistics 2020-09-16 Martijn Oldenhof , Adam Arany , Yves Moreau , Jaak Simm
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