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Search to aggregate neighborhood for graph neural network

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 Added by Huan Zhao Dr.
 Publication date 2021
and research's language is English




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Recent years have witnessed the popularity and success of graph neural networks (GNN) in various scenarios. To obtain data-specific GNN architectures, researchers turn to neural architecture search (NAS), which has made impressive success in discovering effective architectures in convolutional neural networks. However, it is non-trivial to apply NAS approaches to GNN due to challenges in search space design and the expensive searching cost of existing NAS methods. In this work, to obtain the data-specific GNN architectures and address the computational challenges facing by NAS approaches, we propose a framework, which tries to Search to Aggregate NEighborhood (SANE), to automatically design data-specific GNN architectures. By designing a novel and expressive search space, we propose a differentiable search algorithm, which is more efficient than previous reinforcement learning based methods. Experimental results on four tasks and seven real-world datasets demonstrate the superiority of SANE compared to existing GNN models and NAS approaches in terms of effectiveness and efficiency. (Code is available at: https://github.com/AutoML-4Paradigm/SANE).

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Recent years have witnessed the popularity of Graph Neural Networks (GNN) in various scenarios. To obtain optimal data-specific GNN architectures, researchers turn to neural architecture search (NAS) methods, which have made impressive progress in discovering effective architectures in convolutional neural networks. Two preliminary works, GraphNAS and Auto-GNN, have made first attempt to apply NAS methods to GNN. Despite the promising results, there are several drawbacks in expressive capability and search efficiency of GraphNAS and Auto-GNN due to the designed search space. To overcome these drawbacks, we propose the SNAG framework (Simplified Neural Architecture search for Graph neural networks), consisting of a novel search space and a reinforcement learning based search algorithm. Extensive experiments on real-world datasets demonstrate the effectiveness of the SNAG framework compared to human-designed GNNs and NAS methods, including GraphNAS and Auto-GNN.
Existing neural architecture search (NAS) methods often return an architecture with good search performance but generalizes poorly to the test setting. To achieve better generalization, we propose a novel neighborhood-aware NAS formulation to identify flat-minima architectures in the search space, with the assumption that flat minima generalize better than sharp minima. The phrase flat-minima architecture refers to architectures whose performance is stable under small perturbations in the architecture (e.g., replacing a convolution with a skip connection). Our formulation takes the flatness of an architecture into account by aggregating the performance over the neighborhood of this architecture. We demonstrate a principled way to apply our formulation to existing search algorithms, including sampling-based algorithms and gradient-based algorithms. To facilitate the application to gradient-based algorithms, we also propose a differentiable representation for the neighborhood of architectures. Based on our formulation, we propose neighborhood-aware random search (NA-RS) and neighborhood-aware differentiable architecture search (NA-DARTS). Notably, by simply augmenting DARTS with our formulation, NA-DARTS finds architectures that perform better or on par with those found by state-of-the-art NAS methods on established benchmarks, including CIFAR-10, CIFAR-100 and ImageNet.
Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data, typically through message passing among nodes by aggregating their neighborhood information via different operations. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus inefficient to cope with ubiquitous heterogeneous graphs, which are typically in the form of multi-relational graph representations. In this paper, we propose RioGNN, a novel Reinforced, recursive and flexible neighborhood selection guided multi-relational Graph Neural Network architecture, to navigate complexity of neural network structures whilst maintaining relation-dependent representations. We first construct a multi-relational graph, according to the practical task, to reflect the heterogeneity of nodes, edges, attributes and labels. To avoid the embedding over-assimilation among different types of nodes, we employ a label-aware neural similarity measure to ascertain the most similar neighbors based on node attributes. A reinforced relation-aware neighbor selection mechanism is developed to choose the most similar neighbors of a targeting node within a relation before aggregating all neighborhood information from different relations to obtain the eventual node embedding. Particularly, to improve the efficiency of neighbor selecting, we propose a new recursive and scalable reinforcement learning framework with estimable depth and width for different scales of multi-relational graphs. RioGNN can learn more discriminative node embedding with enhanced explainability due to the recognition of individual importance of each relation via the filtering threshold mechanism.
Robustness against adversarial attack in neural networks is an important research topic in the machine learning community. We observe one major source of vulnerability of neural nets is from overparameterized fully-connected layers. In this paper, we propose a new neighborhood preserving layer which can replace these fully connected layers to improve the network robustness. We demonstrate a novel neural network architecture which can incorporate such layers and also can be trained efficiently. We theoretically prove that our models are more robust against distortion because they effectively control the magnitude of gradients. Finally, we empirically show that our designed network architecture is more robust against state-of-art gradient descent based attacks, such as a PGD attack on the benchmark datasets MNIST and CIFAR10.
This paper presents a novel neural network design that learns the heuristic for Large Neighborhood Search (LNS). LNS consists of a destroy operator and a repair operator that specify a way to carry out the neighborhood search to solve the Combinatorial Optimization problems. The proposed approach in this paper applies a Hierarchical Recurrent Graph Convolutional Network (HRGCN) as a LNS heuristic, namely Dynamic Partial Removal, with the advantage of adaptive destruction and the potential to search across a large scale, as well as the context-awareness in both spatial and temporal perspective. This model is generalized as an efficient heuristic approach to different combinatorial optimization problems, especially to the problems with relatively tight constraints. We apply this model to vehicle routing problem (VRP) in this paper as an example. The experimental results show that this approach outperforms the traditional LNS heuristics on the same problem as well. The source code is available at href{https://github.com/water-mirror/DPR}{https://github.com/water-mirror/DPR}.

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