scholarly journals EvolveGCN: Evolving Graph Convolutional Networks for Dynamic Graphs

2020 ◽  
Vol 34 (04) ◽  
pp. 5363-5370 ◽  
Author(s):  
Aldo Pareja ◽  
Giacomo Domeniconi ◽  
Jie Chen ◽  
Tengfei Ma ◽  
Toyotaro Suzumura ◽  
...  
Keyword(s):  
Neural Networks ◽  
Temporal Dynamics ◽  
Representation Learning ◽  
Graph Representation ◽  
Full Time ◽  
Convolutional Network ◽  
Frequent Change ◽  
Temporal Dimension ◽  
Convolutional Networks ◽  
Node Embeddings

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 graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

scholarly journals Hybrid Low-Order and Higher-Order Graph Convolutional Networks

2020 ◽  
Vol 2020 ◽  
pp. 1-9
Author(s):  
Fangyuan Lei ◽  
Xun Liu ◽  
Qingyun Dai ◽  
Bingo Wing-Kuen Ling ◽  
Huimin Zhao ◽  
...  
Keyword(s):  
Computational Complexity ◽  
Large Scale ◽  
Representation Learning ◽  
Higher Order ◽  
Semisupervised Learning ◽  
Graph Representation ◽  
Convolutional Network ◽  
Convolutional Networks ◽  
Proposed Model ◽  
Low Order

With the higher-order neighborhood information of a graph network, the accuracy of graph representation learning classification can be significantly improved. However, the current higher-order graph convolutional networks have a large number of parameters and high computational complexity. Therefore, we propose a hybrid lower-order and higher-order graph convolutional network (HLHG) learning model, which uses a weight sharing mechanism to reduce the number of network parameters. To reduce the computational complexity, we propose a novel information fusion pooling layer to combine the high-order and low-order neighborhood matrix information. We theoretically compare the computational complexity and the number of parameters of the proposed model with those of the other state-of-the-art models. Experimentally, we verify the proposed model on large-scale text network datasets using supervised learning and on citation network datasets using semisupervised learning. The experimental results show that the proposed model achieves higher classification accuracy with a small set of trainable weight parameters.

scholarly journals Graph convolutional networks: a comprehensive review

2019 ◽  
Vol 6 (1) ◽  
Author(s):  
Si Zhang ◽  
Hanghang Tong ◽  
Jiejun Xu ◽  
Ross Maciejewski
Keyword(s):  
Neural Networks ◽  
Deep Learning ◽  
Network Models ◽  
Representation Learning ◽  
Superior Performance ◽  
Learning Models ◽  
Convolutional Network ◽  
Comprehensive Review ◽  
Convolutional Networks ◽  
Graph Neural Networks

Abstract Graphs naturally appear in numerous application domains, ranging from social analysis, bioinformatics to computer vision. The unique capability of graphs enables capturing the structural relations among data, and thus allows to harvest more insights compared to analyzing data in isolation. However, it is often very challenging to solve the learning problems on graphs, because (1) many types of data are not originally structured as graphs, such as images and text data, and (2) for graph-structured data, the underlying connectivity patterns are often complex and diverse. On the other hand, the representation learning has achieved great successes in many areas. Thereby, a potential solution is to learn the representation of graphs in a low-dimensional Euclidean space, such that the graph properties can be preserved. Although tremendous efforts have been made to address the graph representation learning problem, many of them still suffer from their shallow learning mechanisms. Deep learning models on graphs (e.g., graph neural networks) have recently emerged in machine learning and other related areas, and demonstrated the superior performance in various problems. In this survey, despite numerous types of graph neural networks, we conduct a comprehensive review specifically on the emerging field of graph convolutional networks, which is one of the most prominent graph deep learning models. First, we group the existing graph convolutional network models into two categories based on the types of convolutions and highlight some graph convolutional network models in details. Then, we categorize different graph convolutional networks according to the areas of their applications. Finally, we present several open challenges in this area and discuss potential directions for future research.

scholarly journals A Novel Method to Predict Drug-Target Interactions Based on Large-Scale Graph Representation Learning

Cancers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 2111
Author(s):  
Bo-Wei Zhao ◽  
Zhu-Hong You ◽  
Lun Hu ◽  
Zhen-Hao Guo ◽  
Lei Wang ◽  
...  
Keyword(s):  
Drug Target ◽  
Large Scale ◽  
Computational Models ◽  
Structural Information ◽  
Characteristic Curve ◽  
Representation Learning ◽  
Graph Representation ◽  
Convolutional Network ◽  
Novel Method

Identification of drug-target interactions (DTIs) is a significant step in the drug discovery or repositioning process. Compared with the time-consuming and labor-intensive in vivo experimental methods, the computational models can provide high-quality DTI candidates in an instant. In this study, we propose a novel method called LGDTI to predict DTIs based on large-scale graph representation learning. LGDTI can capture the local and global structural information of the graph. Specifically, the first-order neighbor information of nodes can be aggregated by the graph convolutional network (GCN); on the other hand, the high-order neighbor information of nodes can be learned by the graph embedding method called DeepWalk. Finally, the two kinds of feature are fed into the random forest classifier to train and predict potential DTIs. The results show that our method obtained area under the receiver operating characteristic curve (AUROC) of 0.9455 and area under the precision-recall curve (AUPR) of 0.9491 under 5-fold cross-validation. Moreover, we compare the presented method with some existing state-of-the-art methods. These results imply that LGDTI can efficiently and robustly capture undiscovered DTIs. Moreover, the proposed model is expected to bring new inspiration and provide novel perspectives to relevant researchers.

Knowledge-aware Multi-modal Adaptive Graph Convolutional Networks for Fake News Detection

2021 ◽  
Vol 17 (3) ◽  
pp. 1-23
Author(s):  
Shengsheng Qian ◽  
Jun Hu ◽  
Quan Fang ◽  
Changsheng Xu
Keyword(s):  
Social Media ◽  
Visual Information ◽  
Representation Learning ◽  
Fake News ◽  
Unified Framework ◽  
Model Learning ◽  
Convolutional Network ◽  
Textual Information ◽  
Convolutional Networks ◽  
Real World Datasets

In this article, we focus on fake news detection task and aim to automatically identify the fake news from vast amount of social media posts. To date, many approaches have been proposed to detect fake news, which includes traditional learning methods and deep learning-based models. However, there are three existing challenges: (i) How to represent social media posts effectively, since the post content is various and highly complicated; (ii) how to propose a data-driven method to increase the flexibility of the model to deal with the samples in different contexts and news backgrounds; and (iii) how to fully utilize the additional auxiliary information (the background knowledge and multi-modal information) of posts for better representation learning. To tackle the above challenges, we propose a novel Knowledge-aware Multi-modal Adaptive Graph Convolutional Networks (KMAGCN) to capture the semantic representations by jointly modeling the textual information, knowledge concepts, and visual information into a unified framework for fake news detection. We model posts as graphs and use a knowledge-aware multi-modal adaptive graph learning principal for the effective feature learning. Compared with existing methods, the proposed KMAGCN addresses challenges from three aspects: (1) It models posts as graphs to capture the non-consecutive and long-range semantic relations; (2) it proposes a novel adaptive graph convolutional network to handle the variability of graph data; and (3) it leverages textual information, knowledge concepts and visual information jointly for model learning. We have conducted extensive experiments on three public real-world datasets and superior results demonstrate the effectiveness of KMAGCN compared with other state-of-the-art algorithms.

scholarly journals Revisiting Graph Based Collaborative Filtering: A Linear Residual Graph Convolutional Network Approach

2020 ◽  
Vol 34 (01) ◽  
pp. 27-34 ◽  
Author(s):  
Lei Chen ◽  
Le Wu ◽  
Richang Hong ◽  
Kun Zhang ◽  
Meng Wang
Keyword(s):  
Collaborative Filtering ◽  
Representation Learning ◽  
Superior Performance ◽  
Convolutional Network ◽  
Convolutional Networks ◽  
Proposed Model ◽  
Non Linear ◽  
Efficiency And Effectiveness ◽  
Residual Graph ◽  
Interaction Modeling

Graph Convolutional Networks~(GCNs) are state-of-the-art graph based representation learning models by iteratively stacking multiple layers of convolution aggregation operations and non-linear activation operations. Recently, in Collaborative Filtering~(CF) based Recommender Systems~(RS), by treating the user-item interaction behavior as a bipartite graph, some researchers model higher-layer collaborative signals with GCNs. These GCN based recommender models show superior performance compared to traditional works. However, these models suffer from training difficulty with non-linear activations for large user-item graphs. Besides, most GCN based models could not model deeper layers due to the over smoothing effect with the graph convolution operation. In this paper, we revisit GCN based CF models from two aspects. First, we empirically show that removing non-linearities would enhance recommendation performance, which is consistent with the theories in simple graph convolutional networks. Second, we propose a residual network structure that is specifically designed for CF with user-item interaction modeling, which alleviates the over smoothing problem in graph convolution aggregation operation with sparse user-item interaction data. The proposed model is a linear model and it is easy to train, scale to large datasets, and yield better efficiency and effectiveness on two real datasets. We publish the source code at https://github.com/newlei/LR-GCCF.

scholarly journals A3T-GCN: Attention Temporal Graph Convolutional Network for Traffic Forecasting

2021 ◽  
Vol 10 (7) ◽  
pp. 485
Author(s):  
Jiandong Bai ◽  
Jiawei Zhu ◽  
Yujiao Song ◽  
Ling Zhao ◽  
Zhixiang Hou ◽  
...  
Keyword(s):  
Road Network ◽  
Temporal Dynamics ◽  
Technological Problem ◽  
Traffic Flows ◽  
Convolutional Network ◽  
Temporal Dimension ◽  
Time Points ◽  
The Road ◽  
Traffic Forecasting ◽  
Temporal Graph

Accurate real-time traffic forecasting is a core technological problem against the implementation of the intelligent transportation system. However, it remains challenging considering the complex spatial and temporal dependencies among traffic flows. In the spatial dimension, due to the connectivity of the road network, the traffic flows between linked roads are closely related. In the temporal dimension, although there exists a tendency among adjacent time points, the importance of distant time points is not necessarily less than that of recent ones, since traffic flows are also affected by external factors. In this study, an attention temporal graph convolutional network (A3T-GCN) was proposed to simultaneously capture global temporal dynamics and spatial correlations in traffic flows. The A3T-GCN model learns the short-term trend by using the gated recurrent units and learns the spatial dependence based on the topology of the road network through the graph convolutional network. Moreover, the attention mechanism was introduced to adjust the importance of different time points and assemble global temporal information to improve prediction accuracy. Experimental results in real-world datasets demonstrate the effectiveness and robustness of the proposed A3T-GCN. We observe the improvements in RMSE of 2.51–46.15% and 2.45–49.32% over baselines for the SZ-taxi and Los-loop, respectively. Meanwhile, the Accuracies are 0.95–89.91% and 0.26–10.37% higher than the baselines for the SZ-taxi and Los-loop, respectively.

scholarly journals Pairwise Half-graph Discrimination: A Simple Graph-level Self-supervised Strategy for Pre-training Graph Neural Networks

2021 ◽  
Author(s):  
Pengyong Li ◽  
Jun Wang ◽  
Ziliang Li ◽  
Yixuan Qiao ◽  
Xianggen Liu ◽  
...  
Keyword(s):  
Neural Networks ◽  
Supervised Learning ◽  
Learning Strategy ◽  
Binary Classification ◽  
Representation Learning ◽  
Graph Representation ◽  
Superior Performance ◽  
Graph Classification ◽  
Training Strategy ◽  
Graph Neural Networks

Self-supervised learning has gradually emerged as a powerful technique for graph representation learning. However, transferable, generalizable, and robust representation learning on graph data still remains a challenge for pre-training graph neural networks. In this paper, we propose a simple and effective self-supervised pre-training strategy, named Pairwise Half-graph Discrimination (PHD), that explicitly pre-trains a graph neural network at graph-level. PHD is designed as a simple binary classification task to discriminate whether two half-graphs come from the same source. Experiments demonstrate that the PHD is an effective pre-training strategy that offers comparable or superior performance on 13 graph classification tasks compared with state-of-the-art strategies, and achieves notable improvements when combined with node-level strategies. Moreover, the visualization of learned representation revealed that PHD strategy indeed empowers the model to learn graph-level knowledge like the molecular scaffold. These results have established PHD as a powerful and effective self-supervised learning strategy in graph-level representation learning.

scholarly journals Molecular Graph Contrastive Learning with Parameterized Explainable Augmentations

2021 ◽  
Author(s):  
Yingheng Wang ◽  
Yaosen Min ◽  
Erzhuo Shao ◽  
Ji Wu
Keyword(s):  
Neural Networks ◽  
Deep Neural Networks ◽  
Structural Information ◽  
Molecular Graph ◽  
Representation Learning ◽  
Graph Representation ◽  
Input Graph ◽  
Recent Success ◽  
Real World Datasets ◽  
Comparative Results

ABSTRACTLearning generalizable, transferable, and robust representations for molecule data has always been a challenge. The recent success of contrastive learning (CL) for self-supervised graph representation learning provides a novel perspective to learn molecule representations. The most prevailing graph CL framework is to maximize the agreement of representations in different augmented graph views. However, existing graph CL frameworks usually adopt stochastic augmentations or schemes according to pre-defined rules on the input graph to obtain different graph views in various scales (e.g. node, edge, and subgraph), which may destroy topological semantemes and domain prior in molecule data, leading to suboptimal performance. Therefore, designing parameterized, learnable, and explainable augmentation is quite necessary for molecular graph contrastive learning. A well-designed parameterized augmentation scheme can preserve chemically meaningful structural information and intrinsically essential attributes for molecule graphs, which helps to learn representations that are insensitive to perturbation on unimportant atoms and bonds. In this paper, we propose a novel Molecular Graph Contrastive Learning with Parameterized Explainable Augmentations, MolCLE for brevity, that self-adaptively incorporates chemically significative information from both topological and semantic aspects of molecular graphs. Specifically, we apply deep neural networks to parameterize the augmentation process for both the molecular graph topology and atom attributes, to highlight contributive molecular substructures and recognize underlying chemical semantemes. Comprehensive experiments on a variety of real-world datasets demonstrate that our proposed method consistently outperforms compared baselines, which verifies the effectiveness of the proposed framework. Detailedly, our self-supervised MolCLE model surpasses many supervised counterparts, and meanwhile only uses hundreds of thousands of parameters to achieve comparative results against the state-of-the-art baseline, which has tens of millions of parameters. We also provide detailed case studies to validate the explainability of augmented graph views.CCS CONCEPTS• Mathematics of computing → Graph algorithms; • Applied computing → Bioinformatics; • Computing methodologies → Neural networks; Unsupervised learning.

scholarly journals UniGNN: a Unified Framework for Graph and Hypergraph Neural Networks

2021 ◽  
Author(s):  
Jing Huang ◽  
Jie Yang
Keyword(s):  
Neural Networks ◽  
Message Passing ◽  
State Of The Art ◽  
Representation Learning ◽  
Graph Representation ◽  
Challenging Problem ◽  
Unified Framework ◽  
Real World Datasets ◽  
Graph Neural Networks ◽  
Research Domains

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for graph representation learning, how to adapt the powerful GNN-variants directly into hypergraphs remains a challenging problem. In this paper, we propose UniGNN, a unified framework for interpreting the message passing process in graph and hypergraph neural networks, which can generalize general GNN models into hypergraphs. In this framework, meticulously-designed architectures aiming to deepen GNNs can also be incorporated into hypergraphs with the least effort. Extensive experiments have been conducted to demonstrate the effectiveness of UniGNN on multiple real-world datasets, which outperform the state-of-the-art approaches with a large margin. Especially for the DBLP dataset, we increase the accuracy from 77.4% to 88.8% in the semi-supervised hypernode classification task. We further prove that the proposed message-passing based UniGNN models are at most as powerful as the 1-dimensional Generalized Weisfeiler-Leman (1-GWL) algorithm in terms of distinguishing non-isomorphic hypergraphs. Our code is available at https://github.com/OneForward/UniGNN.

scholarly journals GSSNN: Graph Smoothing Splines Neural Networks

2020 ◽  
Vol 34 (04) ◽  
pp. 7007-7014
Author(s):  
Shichao Zhu ◽  
Lewei Zhou ◽  
Shirui Pan ◽  
Chuan Zhou ◽  
Guiying Yan ◽  
...  
Keyword(s):  
Neural Networks ◽  
State Of The Art ◽  
Representation Learning ◽  
Smoothing Splines ◽  
Graph Representation ◽  
Graph Classification ◽  
Topological Information ◽  
Graph Representations ◽  
The Arts ◽  
Graph Neural Networks

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in many graph data analysis tasks. However, they still suffer from two limitations for graph representation learning. First, they exploit non-smoothing node features which may result in suboptimal embedding and degenerated performance for graph classification. Second, they only exploit neighbor information but ignore global topological knowledge. Aiming to overcome these limitations simultaneously, in this paper, we propose a novel, flexible, and end-to-end framework, Graph Smoothing Splines Neural Networks (GSSNN), for graph classification. By exploiting the smoothing splines, which are widely used to learn smoothing fitting function in regression, we develop an effective feature smoothing and enhancement module Scaled Smoothing Splines (S3) to learn graph embedding. To integrate global topological information, we design a novel scoring module, which exploits closeness, degree, as well as self-attention values, to select important node features as knots for smoothing splines. These knots can be potentially used for interpreting classification results. In extensive experiments on biological and social datasets, we demonstrate that our model achieves state-of-the-arts and GSSNN is superior in learning more robust graph representations. Furthermore, we show that S3 module is easily plugged into existing GNNs to improve their performance.

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