Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.
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Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require 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 tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with arbitrary depth. Although the primitive GNNs have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on variants of graph neural networks such as graph convolutional network (GCN), graph attention network (GAT), gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.
Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism, which prevents the model from obtaining adequate global information. In order to increase the receptive field, we propose a novel deep Hierarchical Graph Convolutional Network (H-GCN) for semi-supervised node classification. H-GCN first repeatedly aggregates structurally similar nodes to hyper-nodes and then refines the coarsened graph to the original to restore the representation for each node. Instead of merely aggregating one- or two-hop neighborhood information, the proposed coarsening procedure enlarges the receptive field for each node, hence more global information can be learned. Comprehensive experiments conducted on public datasets demonstrate the effectiveness of the proposed method over the state-of-art methods. Notably, our model gains substantial improvements when only a few labeled samples are provided.
Recently, Neural Architecture Search (NAS) has successfully identified neural network architectures that exceed human designed ones on large-scale image classification problems. In this paper, we study NAS for semantic image segmentation, an important computer vision task that assigns a semantic label to every pixel in an image. Existing works often focus on searching the repeatable cell structure, while hand-designing the outer network structure that controls the spatial resolution changes. This choice simplifies the search space, but becomes increasingly problematic for dense image prediction which exhibits a lot more network level architectural variations. Therefore, we propose to search the network level structure in addition to the cell level structure, which forms a hierarchical architecture search space. We present a network level search space that includes many popular designs, and develop a formulation that allows efficient gradient-based architecture search (3 P100 GPU days on Cityscapes images). We demonstrate the effectiveness of the proposed method on the challenging Cityscapes, PASCAL VOC 2012, and ADE20K datasets. Without any ImageNet pretraining, our architecture searched specifically for semantic image segmentation attains state-of-the-art performance.
In this paper, we propose an inverse reinforcement learning method for architecture search (IRLAS), which trains an agent to learn to search network structures that are topologically inspired by human-designed network. Most existing architecture search approaches totally neglect the topological characteristics of architectures, which results in complicated architecture with a high inference latency. Motivated by the fact that human-designed networks are elegant in topology with a fast inference speed, we propose a mirror stimuli function inspired by biological cognition theory to extract the abstract topological knowledge of an expert human-design network (ResNeXt). To avoid raising a too strong prior over the search space, we introduce inverse reinforcement learning to train the mirror stimuli function and exploit it as a heuristic guidance for architecture search, easily generalized to different architecture search algorithms. On CIFAR-10, the best architecture searched by our proposed IRLAS achieves 2.60% error rate. For ImageNet mobile setting, our model achieves a state-of-the-art top-1 accuracy 75.28%, while being 2~4x faster than most auto-generated architectures. A fast version of this model achieves 10% faster than MobileNetV2, while maintaining a higher accuracy.
Graphs, which describe pairwise relations between objects, are essential representations of many real-world data such as social networks. In recent years, graph neural networks, which extend the neural network models to graph data, have attracted increasing attention. Graph neural networks have been applied to advance many different graph related tasks such as reasoning dynamics of the physical system, graph classification, and node classification. Most of the existing graph neural network models have been designed for static graphs, while many real-world graphs are inherently dynamic. For example, social networks are naturally evolving as new users joining and new relations being created. Current graph neural network models cannot utilize the dynamic information in dynamic graphs. However, the dynamic information has been proven to enhance the performance of many graph analytical tasks such as community detection and link prediction. Hence, it is necessary to design dedicated graph neural networks for dynamic graphs. In this paper, we propose DGNN, a new {\bf D}ynamic {\bf G}raph {\bf N}eural {\bf N}etwork model, which can model the dynamic information as the graph evolving. In particular, the proposed framework can keep updating node information by capturing the sequential information of edges, the time intervals between edges and information propagation coherently. Experimental results on various dynamic graphs demonstrate the effectiveness of the proposed framework.
Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.
Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a discrete space, which is highly inefficient. In this paper, we propose a simple and efficient method to automatic neural architecture design based on continuous optimization. We call this new approach neural architecture optimization (NAO). There are three key components in our proposed approach: (1) An encoder embeds/maps neural network architectures into a continuous space. (2) A predictor takes the continuous representation of a network as input and predicts its accuracy. (3) A decoder maps a continuous representation of a network back to its architecture. The performance predictor and the encoder enable us to perform gradient based optimization in the continuous space to find the embedding of a new architecture with potentially better accuracy. Such a better embedding is then decoded to a network by the decoder. Experiments show that the architecture discovered by our method is very competitive for image classification task on CIFAR-10 and language modeling task on PTB, outperforming or on par with the best results of previous architecture search methods with a significantly reduction of computational resources. Specifically we obtain $2.07\%$ test set error rate for CIFAR-10 image classification task and $55.9$ test set perplexity of PTB language modeling task. The best discovered architectures on both tasks are successfully transferred to other tasks such as CIFAR-100 and WikiText-2.
Deep Learning has enabled remarkable progress over the last years on a variety of tasks, such as image recognition, speech recognition, and machine translation. One crucial aspect for this progress are novel neural architectures. Currently employed architectures have mostly been developed manually by human experts, which is a time-consuming and error-prone process. Because of this, there is growing interest in automated neural architecture search methods. We provide an overview of existing work in this field of research and categorize them according to three dimensions: search space, search strategy, and performance estimation strategy.
Designing convolutional neural networks (CNN) models for mobile devices is challenging because mobile models need to be small and fast, yet still accurate. Although significant effort has been dedicated to design and improve mobile models on all three dimensions, it is challenging to manually balance these trade-offs when there are so many architectural possibilities to consider. In this paper, we propose an automated neural architecture search approach for designing resource-constrained mobile CNN models. We propose to explicitly incorporate latency information into the main objective so that the search can identify a model that achieves a good trade-off between accuracy and latency. Unlike in previous work, where mobile latency is considered via another, often inaccurate proxy (e.g., FLOPS), in our experiments, we directly measure real-world inference latency by executing the model on a particular platform, e.g., Pixel phones. To further strike the right balance between flexibility and search space size, we propose a novel factorized hierarchical search space that permits layer diversity throughout the network. Experimental results show that our approach consistently outperforms state-of-the-art mobile CNN models across multiple vision tasks. On the ImageNet classification task, our model achieves 74.0% top-1 accuracy with 76ms latency on a Pixel phone, which is 1.5x faster than MobileNetV2 (Sandler et al. 2018) and 2.4x faster than NASNet (Zoph et al. 2018) with the same top-1 accuracy. On the COCO object detection task, our model family achieves both higher mAP quality and lower latency than MobileNets.
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