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Register a new userStructure-Aware Hierarchical Graph Pooling using Information Bottleneck
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Added by
Kashob Kumar Roy
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph pooling is an essential ingredient of Graph Neural Networks (GNNs) in graph classification and regression tasks. For these tasks, different pooling strategies have been proposed to generate a graph-level representation by downsampling and summarizing nodes features in a graph. However, most existing pooling methods are unable to capture distinguishable structural information effectively. Besides, they are prone to adversarial attacks. In this work, we propose a novel pooling method named as {HIBPool} where we leverage the Information Bottleneck (IB) principle that optimally balances the expressiveness and robustness of a model to learn representations of input data. Furthermore, we introduce a novel structure-aware Discriminative Pooling Readout ({DiP-Readout}) function to capture the informative local subgraph structures in the graph. Finally, our experimental results show that our model significantly outperforms other state-of-art methods on several graph classification benchmarks and more resilient to feature-perturbation attack than existing pooling methods.
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Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of the original one. This subgraph shall be as informative as possible, yet contains less redundant and noisy structure. This problem setting is closely related to the well-known information bottleneck (IB) principle, which, however, has less been studied for the irregular graph data and graph neural networks (GNNs). In this paper, we propose a framework of Graph Information Bottleneck (GIB) for the subgraph recognition problem in deep graph learning. Under this framework, one can recognize the maximally informative yet compressive subgraph, named IB-subgraph. However, the GIB objective is notoriously hard to optimize, mostly due to the intractability of the mutual information of irregular graph data and the unstable optimization process. In order to tackle these challenges, we propose: i) a GIB objective based-on a mutual information estimator for the irregular graph data; ii) a bi-level optimization scheme to maximize the GIB objective; iii) a connectivity loss to stabilize the optimization process. We evaluate the properties of the IB-subgraph in three application scenarios: improvement of graph classification, graph interpretation and graph denoising. Extensive experiments demonstrate that the information-theoretic IB-subgraph enjoys superior graph properties.
Recent years have witnessed the emergence and development of graph neural networks (GNNs), which have been shown as a powerful approach for graph representation learning in many tasks, such as node classification and graph classification. The research on the robustness of these models has also started to attract attentions in the machine learning field. However, most of the existing work in this area focus on the GNNs for node-level tasks, while little work has been done to study the robustness of the GNNs for the graph classification task. In this paper, we aim to explore the vulnerability of the Hierarchical Graph Pooling (HGP) Neural Networks, which are advanced GNNs that perform very well in the graph classification in terms of prediction accuracy. We propose an adversarial attack framework for this task. Specifically, we design a surrogate model that consists of convolutional and pooling operators to generate adversarial samples to fool the hierarchical GNN-based graph classification models. We set the preserved nodes by the pooling operator as our attack targets, and then we perturb the attack targets slightly to fool the pooling operator in hierarchical GNNs so that they will select the wrong nodes to preserve. We show the adversarial samples generated from multiple datasets by our surrogate model have enough transferability to attack current state-of-art graph classification models. Furthermore, we conduct the robust train on the target models and demonstrate that the retrained graph classification models are able to better defend against the attack from the adversarial samples. To the best of our knowledge, this is the first work on the adversarial attack against hierarchical GNN-based graph classification models.
Recent years have witnessed the emergence and flourishing of hierarchical graph pooling neural networks (HGPNNs) which are effective graph representation learning approaches for graph level tasks such as graph classification. However, current HGPNNs do not take full advantage of the graphs intrinsic structures (e.g., community structure). Moreover, the pooling operations in existing HGPNNs are difficult to be interpreted. In this paper, we propose a new interpretable graph pooling framework - CommPOOL, that can capture and preserve the hierarchical community structure of graphs in the graph representation learning process. Specifically, the proposed community pooling mechanism in CommPOOL utilizes an unsupervised approach for capturing the inherent community structure of graphs in an interpretable manner. CommPOOL is a general and flexible framework for hierarchical graph representation learning that can further facilitate various graph-level tasks. Evaluations on five public benchmark datasets and one synthetic dataset demonstrate the superior performance of CommPOOL in graph representation learning for graph classification compared to the state-of-the-art baseline methods, and its effectiveness in capturing and preserving the community structure of graphs.
Graph neural networks have attracted wide attentions to enable representation learning of graph data in recent works. In complement to graph convolution operators, graph pooling is crucial for extracting hierarchical representation of graph data. However, most recent graph pooling methods still fail to efficiently exploit the geometry of graph data. In this paper, we propose a novel graph pooling strategy that leverages node proximity to improve the hierarchical representation learning of graph data with their multi-hop topology. Node proximity is obtained by harmonizing the kernel representation of topology information and node features. Implicit structure-aware kernel representation of topology information allows efficient graph pooling without explicit eigendecomposition of the graph Laplacian. Similarities of node signals are adaptively evaluated with the combination of the affine transformation and kernel trick using the Gaussian RBF function. Experimental results demonstrate that the proposed graph pooling strategy is able to achieve state-of-the-art performance on a collection of public graph classification benchmark datasets.
Over the past decade, multivariate time series classification (MTSC) has received great attention with the advance of sensing techniques. Current deep learning methods for MTSC are based on convolutional and recurrent neural network, with the assumption that time series variables have the same effect to each other. Thus they cannot model the pairwise dependencies among variables explicitly. Whats more, current spatial-temporal modeling methods based on GNNs are inherently flat and lack the capability of aggregating node information in a hierarchical manner. To address this limitation and attain expressive global representation of MTS, we propose a graph pooling based framework MTPool and view MTSC task as graph classification task. With graph structure learning and temporal convolution, MTS slices are converted to graphs and spatial-temporal features are extracted. Then, we propose a novel graph pooling method, which uses an ``encoder-decoder mechanism to generate adaptive centroids for cluster assignments. GNNs and graph pooling layers are used for joint graph representation learning and graph coarsening. With multiple graph pooling layers, the input graphs are hierachically coarsened to one node. Finally, differentiable classifier takes this coarsened one-node graph as input to get the final predicted class. Experiments on 10 benchmark datasets demonstrate MTPool outperforms state-of-the-art methods in MTSC tasks.
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