Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications, where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on the existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this article, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art GNNs into four categories, namely, recurrent GNNs, convolutional GNNs, graph autoencoders, and spatial–temporal GNNs. We further discuss the applications of GNNs across various domains and summarize the open-source codes, benchmark data sets, and model evaluation of GNNs. Finally, we propose potential research directions in this rapidly growing field.

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A Comprehensive Survey on Graph Neural Networks

On robust estimation of the location parameter

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 to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures (like the dependency trees of sentences and the scene graphs of images) is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are neural models that capture the dependence of graphs via message passing between the nodes of graphs. In recent years, variants of GNNs such as graph convolutional network (GCN), graph attention network (GAT), graph recurrent network (GRN) have demonstrated ground-breaking performances on many deep learning tasks. In this survey, we propose a general design pipeline for GNN models and discuss the variants of each component, systematically categorize the applications, and propose four open problems for future research.

Graph Neural Networks: A Review of Methods and Applications

Graph convolutional networks (GCNs) are a powerful deep learning approach for graph-structured data. Recently, GCNs and subsequent variants have shown superior performance in various application areas on real-world datasets. Despite their success, most of the current GCN models are shallow, due to the {\em over-smoothing} problem. In this paper, we study the problem of designing and analyzing deep graph convolutional networks. We propose the GCNII, an extension of the vanilla GCN model with two simple yet effective techniques: {\em Initial residual} and {\em Identity mapping}. We provide theoretical and empirical evidence that the two techniques effectively relieves the problem of over-smoothing. Our experiments show that the deep GCNII model outperforms the state-of-the-art methods on various semi- and full-supervised tasks. Code is available at this https URL .

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Simple and Deep Graph Convolutional Networks

Forecasting the traffic flows is a critical issue for researchers and practitioners in the field of transportation. However, it is very challenging since the traffic flows usually show high nonlinearities and complex patterns. Most existing traffic flow prediction methods, lacking abilities of modeling the dynamic spatial-temporal correlations of traffic data, thus cannot yield satisfactory prediction results. In this paper, we propose a novel attention based spatial-temporal graph convolutional network (ASTGCN) model to solve traffic flow forecasting problem. ASTGCN mainly consists of three independent components to respectively model three temporal properties of traffic flows, i.e., recent, daily-periodic and weekly-periodic dependencies. More specifically, each component contains two major parts: 1) the spatial-temporal attention mechanism to effectively capture the dynamic spatialtemporal correlations in traffic data; 2) the spatial-temporal convolution which simultaneously employs graph convolutions to capture the spatial patterns and common standard convolutions to describe the temporal features. The output of the three components are weighted fused to generate the final prediction results. Experiments on two real-world datasets from the Caltrans Performance Measurement System (PeMS) demonstrate that the proposed ASTGCN model outperforms the state-of-the-art baselines.

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Attention Based Spatial-Temporal Graph Convolutional Networks for Traffic Flow Forecasting

Spatial-temporal network data forecasting is of great importance in a huge amount of applications for traffic management and urban planning. However, the underlying complex spatial-temporal correlations and heterogeneities make this problem challenging. Existing methods usually use separate components to capture spatial and temporal correlations and ignore the heterogeneities in spatial-temporal data. In this paper, we propose a novel model, named Spatial-Temporal Synchronous Graph Convolutional Networks (STSGCN), for spatial-temporal network data forecasting. The model is able to effectively capture the complex localized spatial-temporal correlations through an elaborately designed spatial-temporal synchronous modeling mechanism. Meanwhile, multiple modules for different time periods are designed in the model to effectively capture the heterogeneities in localized spatial-temporal graphs. Extensive experiments are conducted on four real-world datasets, which demonstrates that our method achieves the state-of-the-art performance and consistently outperforms other baselines.

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Spatial-Temporal Synchronous Graph Convolutional Networks: A New Framework for Spatial-Temporal Network Data Forecasting

Over 10 billion packages are picked up every day in China. Accurate prediction of couriers’ pick-up routes can help the dispatch system to assign packages to couriers more intelligently, which is able to further increase the pick-up efficiency and reduce the overdue rate. In the package pick-up scene, the decision-making of a courier is quite complex since it’s affected by strict spatial-temporal constraints (e.g., package location, promised pick-up time, current time and courier’s current location). In this paper, we propose a novel model, named DeepRoute, to predict couriers’ future package pick-up routes according to the couriers’ decision experience learnt from their historical spatial-temporal behaviors. Specifically, DeepRoute consists of three layers: 1) The representation layer produces experience-aware representations for unpicked-up packages. 2) The transformer encoder layer encodes the representations of packages while considering the spatial-temporal correlations among them. 3) The attention-based decoder layer uses the attention mechanism to generate the whole pick-up route recurrently. Experiments on a real-world logistics dataset demonstrate the state-of-the-art performance of our DeepRoute model.

Package Pick-up Route Prediction via Modeling Couriers’ Spatial-Temporal Behaviors

Over 10 billion packages are picked up every day in China. A fundamental task raised in the emerging intelligent logistics systems is the couriers’ package pick-up route prediction, which is beneficial for package dispatching, arrival-time estimation and overdue-risk evaluation, by leveraging the predicted routes to improve those downstream tasks. In the package pick-up scene, the decision-making of a courier is affected by strict spatial-temporal constraints (e.g., package location, promised pick-up time, current time, and courier’s current location). Furthermore, couriers have different decision preferences on various factors (e.g., time factor, distance factor, and balance of both), based on their own perception of the environments and work experience. In this article, we propose a novel model, named DeepRoute+, to predict couriers’ future package pick-up routes according to the couriers’ decision experience and preference learned from the historical behaviors. Specifically, DeepRoute+ consists of three layers: (1) The representation layer produces experience- and preference-aware representations for the unpicked-up packages, in which a decision preference module can dynamically adjust the importance of factors that affects the courier’s decision under the current situation. (2) The transformer encoder layer encodes the representations of packages while considering the spatial-temporal correlations among them. (3) The attention-based decoder layer uses the attention mechanism to generate the whole pick-up route recurrently. Experiments on a real-world logistics dataset demonstrate the state-of-the-art performance of our model.

DeepRoute+: Modeling Couriers’ Spatial-temporal Behaviors and Decision Preferences for Package Pick-up Route Prediction

. In the management of lung nodules, we are desirable to predict nodule evolution in terms of its diameter variation on Computed Tomography (CT) scans and then provide a follow-up recommendation according to the predicted result of the growing trend of the nodule. In order to improve the performance of growth trend prediction for lung nodules, it is vital to compare the changes of the same nodule in consecutive CT scans. Motivated by this, we screened out 4,666 subjects with more than two consecutive CT scans from the National Lung Screening Trial (NLST) dataset to organize a temporal dataset called NLSTt. In speciﬁc, we ﬁrst detect and pair regions of interest (ROIs) covering the same nodule based on registered CT scans. After that, we predict the texture category and diameter size of the nodules through models. Last, we annotate the evolution class of each nodule according to its changes in diameter. Based on the built NLSTt dataset, we propose a siamese encoder to simultaneously exploit the discriminative features of 3D ROIs detected from consecutive CT scans. Then we novelly design a spatial-temporal mixer (STM) to leverage the interval changes of the same nodule in sequential 3D ROIs and capture spatial dependencies of nodule regions and the current 3D ROI. According to the clinical diagnosis routine, we employ hierarchical loss to pay more attention to growing nodules. The extensive experiments on our organized dataset demonstrate the advantage of our proposed method. We also conduct experiments on an in-house dataset to evaluate the clinical utility of our method by comparing it against skilled clinicians. STM code and NLSTt dataset are available at https://github.com/liaw05/STMixer .

Chao Song

Papers

Attention Based Spatial-Temporal Graph Convolutional Networks for Traffic Flow Forecasting

Spatial-Temporal Synchronous Graph Convolutional Networks: A New Framework for Spatial-Temporal Network Data Forecasting

Package Pick-up Route Prediction via Modeling Couriers’ Spatial-Temporal Behaviors

DeepRoute+: Modeling Couriers’ Spatial-temporal Behaviors and Decision Preferences for Package Pick-up Route Prediction

Siamese Encoder-based Spatial-Temporal Mixer for Growth Trend Prediction of Lung Nodules on CT Scans