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Existing deep learning algorithms for point cloud analysis mainly concern discovering semantic patterns from global configuration of local geometries in a supervised learning manner. However, very few explore geometric properties revealing…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 Lulu Tang , Ke Chen , Chaozheng Wu , Yu Hong , Kui Jia , Zhixin Yang

Graphs are a widely used paradigm for representing non-Euclidean data, with applications ranging from social network analysis to biomolecular prediction. While graph learning has achieved remarkable progress, real-world graph data presents…

The manifold hypothesis presumes that high-dimensional data lies on or near a low-dimensional manifold. While the utility of encoding geometric structure has been demonstrated empirically, rigorous analysis of its impact on the learnability…

Machine Learning · Computer Science 2024-06-04 Bobak T. Kiani , Jason Wang , Melanie Weber

Active area of research in AI is the theory of manifold learning and finding lower-dimensional manifold representation on how we can learn geometry from data for providing better quality curated datasets. There are however various issues…

Machine Learning · Computer Science 2024-10-16 Liubov Tupikina , Kathuria Hritika

Researchers have now achieved great success on dealing with 2D images using deep learning. In recent years, 3D computer vision and Geometry Deep Learning gain more and more attention. Many advanced techniques for 3D shapes have been…

Graphics · Computer Science 2020-04-16 Yun-Peng Xiao , Yu-Kun Lai , Fang-Lue Zhang , Chunpeng Li , Lin Gao

Social network analysis is an important problem in data mining. A fundamental step for analyzing social networks is to encode network data into low-dimensional representations, i.e., network embeddings, so that the network topology…

Social and Information Networks · Computer Science 2019-04-19 Qiaoyu Tan , Ninghao Liu , Xia Hu

Graph Convolutional Networks (GCNs) achieve great success in non-Euclidean structure data processing recently. In existing studies, deeper layers are used in CCNs to extract deeper features of Euclidean structure data. However, for…

Machine Learning · Computer Science 2022-03-14 Junhua Ma , Jiajun Li , Xueming Li , Xu Li

Understanding the operation of biological and artificial networks remains a difficult and important challenge. To identify general principles, researchers are increasingly interested in surveying large collections of networks that are…

Machine Learning · Statistics 2022-01-14 Alex H. Williams , Erin Kunz , Simon Kornblith , Scott W. Linderman

Learning on 3D structures of large biomolecules is emerging as a distinct area in machine learning, but there has yet to emerge a unifying network architecture that simultaneously leverages the graph-structured and geometric aspects of the…

Biomolecules · Quantitative Biology 2021-05-18 Bowen Jing , Stephan Eismann , Patricia Suriana , Raphael J. L. Townshend , Ron Dror

Solving geometric tasks involving point clouds by using machine learning is a challenging problem. Standard feed-forward neural networks combine linear or, if the bias parameter is included, affine layers and activation functions. Their…

Machine Learning · Computer Science 2022-06-15 Pavlo Melnyk , Michael Felsberg , Mårten Wadenbäck

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

Machine Learning · Computer Science 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

Deep learning is one of the new and important branches in machine learning. Deep learning refers to a set of algorithms that solve various problems such as images and texts by using various machine learning algorithms in multi-layer neural…

Computer Vision and Pattern Recognition · Computer Science 2019-01-10 Yang Li , Sangwhan Cha

Graph neural networks, a powerful deep learning tool to model graph-structured data, have demonstrated remarkable performance on numerous graph learning tasks. To address the data noise and data scarcity issues in deep graph learning, the…

Machine Learning · Computer Science 2022-11-22 Kaize Ding , Zhe Xu , Hanghang Tong , Huan Liu

Neural networks are a central technique in machine learning. Recent years have seen a wave of interest in applying neural networks to physical systems for which the governing dynamics are known and expressed through differential equations.…

Computational Physics · Physics 2020-01-31 M. Mattheakis , P. Protopapas , D. Sondak , M. Di Giovanni , E. Kaxiras

The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning,…

Machine Learning · Statistics 2018-08-15 Garrett B. Goh , Nathan O. Hodas , Abhinav Vishnu

Hypernetworks, or hypernets for short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility,…

Machine Learning · Computer Science 2025-01-03 Vinod Kumar Chauhan , Jiandong Zhou , Ping Lu , Soheila Molaei , David A. Clifton

Many quantities we are interested in predicting are geometric tensors; we refer to this class of problems as geometric prediction. Attempts to perform geometric prediction in real-world scenarios have been limited to approximating them…

Machine Learning · Computer Science 2020-06-26 Raphael J. L. Townshend , Brent Townshend , Stephan Eismann , Ron O. Dror

Manifold learning is a popular and quickly-growing subfield of machine learning based on the assumption that one's observed data lie on a low-dimensional manifold embedded in a higher-dimensional space. This thesis presents a mathematical…

Machine Learning · Computer Science 2020-11-04 Luke Melas-Kyriazi

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Deep learning models have gained great popularity in statistical modeling because they lead to very competitive regression models, often outperforming classical statistical models such as generalized linear models. The disadvantage of deep…

Machine Learning · Computer Science 2021-07-26 Ronald Richman , Mario V. Wüthrich