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Register a new userSUGAR: Subgraph Neural Network with Reinforcement Pooling and Self-Supervised Mutual Information Mechanism
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Added by
Qingyun Sun
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Graph representation learning has attracted increasing research attention. However, most existing studies fuse all structural features and node attributes to provide an overarching view of graphs, neglecting finer substructures semantics, and suffering from interpretation enigmas. This paper presents a novel hierarchical subgraph-level selection and embedding based graph neural network for graph classification, namely SUGAR, to learn more discriminative subgraph representations and respond in an explanatory way. SUGAR reconstructs a sketched graph by extracting striking subgraphs as the representative part of the original graph to reveal subgraph-level patterns. To adaptively select striking subgraphs without prior knowledge, we develop a reinforcement pooling mechanism, which improves the generalization ability of the model. To differentiate subgraph representations among graphs, we present a self-supervised mutual information mechanism to encourage subgraph embedding to be mindful of the global graph structural properties by maximizing their mutual information. Extensive experiments on six typical bioinformatics datasets demonstrate a significant and consistent improvement in model quality with competitive performance and interpretability.
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This work focuses on learning useful and robust deep world models using multiple, possibly unreliable, sensors. We find that current methods do not sufficiently encourage a shared representation between modalities; this can cause poor performance on downstream tasks and over-reliance on specific sensors. As a solution, we contribute a new multi-modal deep latent state-space model, trained using a mutual information lower-bound. The key innovation is a specially-designed density ratio estimator that encourages consistency between the latent codes of each modality. We tasked our method to learn policies (in a self-supervised manner) on multi-modal Natural MuJoCo benchmarks and a challenging Table Wiping task. Experiments show our method significantly outperforms state-of-the-art deep reinforcement learning methods, particularly in the presence of missing observations.
Cross-entropy loss with softmax output is a standard choice to train neural network classifiers. We give a new view of neural network classifiers with softmax and cross-entropy as mutual information evaluators. We show that when the dataset is balanced, training a neural network with cross-entropy maximises the mutual information between inputs and labels through a variational form of mutual information. Thereby, we develop a new form of softmax that also converts a classifier to a mutual information evaluator when the dataset is imbalanced. Experimental results show that the new form leads to better classification accuracy, in particular for imbalanced datasets.
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.
Reinforcement learning algorithms struggle when the reward signal is very sparse. In these cases, naive random exploration methods essentially rely on a random walk to stumble onto a rewarding state. Recent works utilize intrinsic motivation to guide the exploration via generative models, predictive forward models, or discriminative modeling of novelty. We propose EMI, which is an exploration method that constructs embedding representation of states and actions that does not rely on generative decoding of the full observation but extracts predictive signals that can be used to guide exploration based on forward prediction in the representation space. Our experiments show competitive results on challenging locomotion tasks with continuous control and on image-based exploration tasks with discrete actions on Atari. The source code is available at https://github.com/snu-mllab/EMI .
Mutual information is widely applied to learn latent representations of observations, whilst its implication in classification neural networks remain to be better explained. We show that optimising the parameters of classification neural networks with softmax cross-entropy is equivalent to maximising the mutual information between inputs and labels under the balanced data assumption. Through experiments on synthetic and real datasets, we show that softmax cross-entropy can estimate mutual information approximately. When applied to image classification, this relation helps approximate the point-wise mutual information between an input image and a label without modifying the network structure. To this end, we propose infoCAM, informative class activation map, which highlights regions of the input image that are the most relevant to a given label based on differences in information. The activation map helps localise the target object in an input image. Through experiments on the semi-supervised object localisation task with two real-world datasets, we evaluate the effectiveness of our information-theoretic approach.
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