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Register a new userNeural Network Classifier as Mutual Information Evaluator
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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.
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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.
Conditional Mutual Information (CMI) is a measure of conditional dependence between random variables X and Y, given another random variable Z. It can be used to quantify conditional dependence among variables in many data-driven inference problems such as graphical models, causal learning, feature selection and time-series analysis. While k-nearest neighbor (kNN) based estimators as well as kernel-based methods have been widely used for CMI estimation, they suffer severely from the curse of dimensionality. In this paper, we leverage advances in classifiers and generative models to design methods for CMI estimation. Specifically, we introduce an estimator for KL-Divergence based on the likelihood ratio by training a classifier to distinguish the observed joint distribution from the product distribution. We then show how to construct several CMI estimators using this basic divergence estimator by drawing ideas from conditional generative models. We demonstrate that the estimates from our proposed approaches do not degrade in performance with increasing dimension and obtain significant improvement over the widely used KSG estimator. Finally, as an application of accurate CMI estimation, we use our best estimator for conditional independence testing and achieve superior performance than the state-of-the-art tester on both simulated and real data-sets.
Estimating and optimizing Mutual Information (MI) is core to many problems in machine learning; however, bounding MI in high dimensions is challenging. To establish tractable and scalable objectives, recent work has turned to variational bounds parameterized by neural networks, but the relationships and tradeoffs between these bounds remains unclear. In this work, we unify these recent developments in a single framework. We find that the existing variational lower bounds degrade when the MI is large, exhibiting either high bias or high variance. To address this problem, we introduce a continuum of lower bounds that encompasses previous bounds and flexibly trades off bias and variance. On high-dimensional, controlled problems, we empirically characterize the bias and variance of the bounds and their gradients and demonstrate the effectiveness of our new bounds for estimation and representation learning.
Estimating mutual information between continuous random variables is often intractable and extremely challenging for high-dimensional data. Recent progress has leveraged neural networks to optimize variational lower bounds on mutual information. Although showing promise for this difficult problem, the variational methods have been theoretically and empirically proven to have serious statistical limitations: 1) many methods struggle to produce accurate estimates when the underlying mutual information is either low or high; 2) the resulting estimators may suffer from high variance. Our approach is based on training a classifier that provides the probability that a data sample pair is drawn from the joint distribution rather than from the product of its marginal distributions. Moreover, we establish a direct connection between mutual information and the average log odds estimate produced by the classifier on a test set, leading to a simple and accurate estimator of mutual information. We show theoretically that our method and other variational approaches are equivalent when they achieve their optimum, while our method sidesteps the variational bound. Empirical results demonstrate high accuracy of our approach and the advantages of our estimator in the context of representation learning. Our demo is available at https://github.com/RayRuizhiLiao/demi_mi_estimator.
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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