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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.
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The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further development of GCN. One solution is to recognize a predictive yet compressed subgraph to get rid of the noise and redundancy and obtain the interpretable part of the graph. This setting of subgraph is similar to the information bottleneck (IB) principle, which is less studied on graph-structured data and GCN. Inspired by the IB principle, we propose a novel subgraph information bottleneck (SIB) framework to recognize such subgraphs, named IB-subgraph. However, the intractability of mutual information and the discrete nature of graph data makes the objective of SIB notoriously hard to optimize. To this end, we introduce a bilevel optimization scheme coupled with a mutual information estimator for irregular graphs. Moreover, we propose a continuous relaxation for subgraph selection with a connectivity loss for stabilization. We further theoretically prove the error bound of our estimation scheme for mutual information and the noise-invariant nature of IB-subgraph. Extensive experiments on graph learning and large-scale point cloud tasks demonstrate the superior property of IB-subgraph.
The main challenge for domain generalization (DG) is to overcome the potential distributional shift between multiple training domains and unseen test domains. One popular class of DG algorithms aims to learn representations that have an invariant causal relation across the training domains. However, certain features, called emph{pseudo-invariant features}, may be invariant in the training domain but not the test domain and can substantially decreases the performance of existing algorithms. To address this issue, we propose a novel algorithm, called Invariant Information Bottleneck (IIB), that learns a minimally sufficient representation that is invariant across training and testing domains. By minimizing the mutual information between the representation and inputs, IIB alleviates its reliance on pseudo-invariant features, which is desirable for DG. To verify the effectiveness of the IIB principle, we conduct extensive experiments on large-scale DG benchmarks. The results show that IIB outperforms invariant learning baseline (e.g. IRM) by an average of 2.8% and 3.8% accuracy over two evaluation metrics.
Multi-task learning (MTL) is an important subject in machine learning and artificial intelligence. Its applications to computer vision, signal processing, and speech recognition are ubiquitous. Although this subject has attracted considerable attention recently, the performance and robustness of the existing models to different tasks have not been well balanced. This article proposes an MTL model based on the architecture of the variational information bottleneck (VIB), which can provide a more effective latent representation of the input features for the downstream tasks. Extensive observations on three public data sets under adversarial attacks show that the proposed model is competitive to the state-of-the-art algorithms concerning the prediction accuracy. Experimental results suggest that combining the VIB and the task-dependent uncertainties is a very effective way to abstract valid information from the input features for accomplishing multiple tasks.
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.
We propose a new approach to train a variational information bottleneck (VIB) that improves its robustness to adversarial perturbations. Unlike the traditional methods where the hard labels are usually used for the classification task, we refine the categorical class information in the training phase with soft labels which are obtained from a pre-trained reference neural network and can reflect the likelihood of the original class labels. We also relax the Gaussian posterior assumption in the VIB implementation by using the mutual information neural estimation. Extensive experiments have been performed with the MNIST and CIFAR-10 datasets, and the results show that our proposed approach significantly outperforms the benchmarked models.
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