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Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graphs representation learning has been a very active research area in recent years. The goal of graph representation learning is to generate graph representation vectors that capture the structure and features of large graphs accurately.…

Machine Learning · Computer Science 2022-06-16 Shima Khoshraftar , Aijun An

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Convolutional Neural Networks (CNNs) have recently led to incredible breakthroughs on a variety of pattern recognition problems. Banks of finite impulse response filters are learned on a hierarchy of layers, each contributing more abstract…

Computer Vision and Pattern Recognition · Computer Science 2017-07-18 Felipe Petroski Such , Shagan Sah , Miguel Dominguez , Suhas Pillai , Chao Zhang , Andrew Michael , Nathan Cahill , Raymond Ptucha

We propose a deep learning approach for identifying malware families using the function call graphs of x86 assembly instructions. Though prior work on static call graph analysis exists, very little involves the application of modern,…

Cryptography and Security · Computer Science 2020-12-04 Thomas Dalton , Mauritius Schmidtler , Alireza Hadj Khodabakhshi

We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional…

Machine Learning · Computer Science 2017-02-23 Thomas N. Kipf , Max Welling

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes…

In this paper we consider the problem of RNA folding with pseudoknots. We use a graphical representation in which the secondary structures are described by planar diagrams. Pseudoknots are identified as non-planar diagrams. We analyze the…

Biomolecules · Quantitative Biology 2007-05-23 G. Vernizzi , H. Orland , A. Zee

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Machine learning techniques for road networks hold the potential to facilitate many important transportation applications. Graph Convolutional Networks (GCNs) are neural networks that are capable of leveraging the structure of a road…

Machine Learning · Computer Science 2020-07-23 Tobias Skovgaard Jepsen , Christian S. Jensen , Thomas Dyhre Nielsen

Graph convolutional networks have been successful in addressing graph-based tasks such as semi-supervised node classification. Existing methods use a network structure defined by the user based on experimentation with fixed number of layers…

Machine Learning · Computer Science 2021-01-21 Negar Heidari , Alexandros Iosifidis

Graph-structured data are pervasive across domains including social networks, biological networks, and knowledge graphs. Due to their non-Euclidean nature, such data pose significant challenges to conventional machine learning methods. This…

Machine Learning · Computer Science 2025-07-29 Yihan Wang , Jianing Zhao

Predicting DNA-protein binding is an important and classic problem in bioinformatics. Convolutional neural networks have outperformed conventional methods in modeling the sequence specificity of DNA-protein binding. However, none of the…

Genomics · Quantitative Biology 2021-06-04 Yuhang Guo , Xiao Luo , Liang Chen , Minghua Deng

Character-level convolutional neural networks (char-CNN) require no knowledge of the semantic or syntactic structure of the language they classify. This property simplifies its implementation but reduces its classification accuracy.…

Computation and Language · Computer Science 2020-12-07 Trevor Londt , Xiaoying Gao , Bing Xue , Peter Andreae

Recently, graph Convolutional Neural Networks (graph CNNs) have been widely used for graph data representation and semi-supervised learning tasks. However, existing graph CNNs generally use a fixed graph which may be not optimal for…

Computer Vision and Pattern Recognition · Computer Science 2018-11-27 Bo Jiang , Ziyan Zhang , Doudou Lin , Jin Tang

Accurate prediction of RNA properties, such as stability and interactions, is crucial for advancing our understanding of biological processes and developing RNA-based therapeutics. RNA structures can be represented as 1D sequences, 2D…

Quantitative Methods · Quantitative Biology 2025-04-22 Junjie Xu , Artem Moskalev , Tommaso Mansi , Mangal Prakash , Rui Liao

An important goal in visual recognition is to devise image representations that are invariant to particular transformations. In this paper, we address this goal with a new type of convolutional neural network (CNN) whose invariance is…

Computer Vision and Pattern Recognition · Computer Science 2015-01-08 Julien Mairal , Piotr Koniusz , Zaid Harchaoui , Cordelia Schmid

In deep neural networks, better results can often be obtained by increasing the complexity of previously developed basic models. However, it is unclear whether there is a way to boost performance by decreasing the complexity of such models.…

Machine Learning · Computer Science 2022-06-07 Junran Wu , Shangzhe Li , Jianhao Li , Yicheng Pan , Ke Xu

Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph…

Machine Learning · Computer Science 2018-01-11 Ruoyu Li , Sheng Wang , Feiyun Zhu , Junzhou Huang

In this paper we review the mathematical foundations of convolutional neural nets (CNNs) with the goals of: i) highlighting connections with techniques from statistics, signal processing, linear algebra, differential equations, and…

Machine Learning · Computer Science 2021-07-08 Shengli Jiang , Victor M. Zavala