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Time series forecasting lies at the core of important real-world applications in many fields of science and engineering. The abundance of large time series datasets that consist of complex patterns and long-term dependencies has led to the…

Machine Learning · Computer Science 2023-12-01 Nancy Xu , Chrysoula Kosma , Michalis Vazirgiannis

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

Rapid growth of high-dimensional datasets in fields such as single-cell RNA sequencing and spatial genomics has led to unprecedented opportunities for scientific discovery, but it also presents unique computational and statistical…

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly…

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Machine Learning · Computer Science 2023-09-01 Guanyu Cui , Zhewei Wei

Recent methods in geometric deep learning have introduced various neural networks to operate over data that lie on Riemannian manifolds. Such networks are often necessary to learn well over graphs with a hierarchical structure or to learn…

Machine Learning · Statistics 2023-10-17 Isay Katsman , Eric Ming Chen , Sidhanth Holalkere , Anna Asch , Aaron Lou , Ser-Nam Lim , Christopher De Sa

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the…

Machine Learning · Computer Science 2022-10-05 Hwan Kim , Byung Suk Lee , Won-Yong Shin , Sungsu Lim

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep learning on heterogeneous graphs. Typical HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs. Recent…

Machine Learning · Computer Science 2024-09-04 Jun Hu , Bryan Hooi , Bingsheng He

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Machine Learning · Computer Science 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Recurrent Neural Networks (RNNs) are among the most successful machine learning models for sequence modelling, but tend to suffer from an exponential increase in the number of parameters when dealing with large multidimensional data. To…

Machine Learning · Computer Science 2021-05-12 Yao Lei Xu , Danilo P. Mandic

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

Machine Learning · Computer Science 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang

Can integrating spectral and curvature signals unlock new potential in graph representation learning? Non-Euclidean geometries, particularly Riemannian manifolds such as hyperbolic (negative curvature) and spherical (positive curvature),…

Machine Learning · Computer Science 2025-06-06 Karish Grover , Haiyang Yu , Xiang Song , Qi Zhu , Han Xie , Vassilis N. Ioannidis , Christos Faloutsos

Connection graphs (CGs) extend traditional graph models by coupling network topology with orthogonal transformations, enabling the representation of global geometric consistency. They play a key role in applications such as synchronization,…

Machine Learning · Computer Science 2025-10-14 Leonardo Di Nino , Gabriele D'Acunto , Sergio Barbarossa , Paolo Di Lorenzo

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Ali Hamdi , Flora Salim , Du Yong Kim , Xiaojun Chang

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Machine Learning · Computer Science 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we…

Machine Learning · Computer Science 2024-12-10 Xinke Jiang , Rihong Qiu , Yongxin Xu , Wentao Zhang , Yichen Zhu , Ruizhe Zhang , Yuchen Fang , Xu Chu , Junfeng Zhao , Yasha Wang