Relaxed Triangle Inequality for Kullback-Leibler Divergence Between Multivariate Gaussian Distributions
College of Computer Science and Electronic Engineering, Hunan University（湖南大学计算机科学与电子工程学院）；Department of Computer Science, State University of New York at New Paltz（纽约州立大学新帕尔兹分校计算机科学系）
Shiji Xiao, Yufeng Zhang, Chubo Liu, Yan Ding, Keqin Li, Kenli Li
The Kullback-Leibler (KL) divergence is not a proper distance metric and does not satisfy the triangle inequality, posing theoretical challenges in certain practical applications. Existing work has demonstrated that KL divergence between multivariate Gaussian distributions follows a relaxed triangle inequality. Given any three multivariate Gaussian distributions $\mathcal{N}_1, \mathcal{N}_2$, and $\mathcal{N}_3$, if $KL(\mathcal{N}_1, \mathcal{N}_2)\leq ε_1$ and $KL(\mathcal{N}_2, \mathcal{N}_3)\leq ε_2$, then $KL(\mathcal{N}_1, \mathcal{N}_3)< 3ε_1+3ε_2+2\sqrt{ε_1ε_2}+o(ε_1)+o(ε_2)$. However, the supremum of $KL(\mathcal{N}_1, \mathcal{N}_3)$ is still unknown. In this paper, we investigate the relaxed triangle inequality for the KL divergence between multivariate Gaussian distributions and give the supremum of $KL(\mathcal{N}_1, \mathcal{N}_3)$ as well as the conditions when the supremum can be attained. When $ε_1$ and $ε_2$ are small, the supremum is $ε_1+ε_2+2\sqrt{ε_1ε_2}+o(ε_1)+o(ε_2)$. Finally, we demonstrate several applications of our results in out-of-distribution detection with flow-based generative models and safe reinforcement learning.
Hunan University（湖南大学）；National University of Defense Technology（国防科技大学）；Southwest University（西南大学）；National Research Center of Parallel Computer Engineering and Technology（国家并行计算机工程技术研究中心）
Recent research has revealed that deep generative models including flow-based models and Variational Autoencoders may assign higher likelihoods to out-of-distribution (OOD) data than in-distribution (ID) data. However, we cannot sample OOD data from the model. This counterintuitive phenomenon has not been satisfactorily explained and brings obstacles to OOD detection with flow-based models. In this paper, we prove theorems to investigate the Kullback-Leibler divergence in flow-based model and give two explanations for the above phenomenon. Based on our theoretical analysis, we propose a new me…
Information-theoretic measures such as the entropy, cross-entropy and the Kullback-Leibler divergence between two mixture models is a core primitive in many signal processing tasks. Since the Kullback-Leibler divergence of mixtures provably does not admit a closed-form formula, it is in practice either estimated using costly Monte-Carlo stochastic integration, approximated, or bounded using various techniques. We present a fast and generic method that builds algorithmically closed-form lower and upper bounds on the entropy, the cross-entropy and the Kullback-Leibler divergence of mixtures. We …
The Kullback-Leibler divergence or relative entropy is an information-theoretic measure between statistical models that play an important role in measuring a distance between random variables. In the study of complex systems, random fields are mathematical structures that models the interaction between these variables by means of an inverse temperature parameter, responsible for controlling the spatial dependence structure along the field. In this paper, we derive closed-form expressions for the Kullback-Leibler divergence between two pairwise isotropic Gaussian-Markov random fields in both un…
Recently, a method called the Mutual Information Neural Estimator (MINE) that uses neural networks has been proposed to estimate mutual information and more generally the Kullback-Leibler (KL) divergence between two distributions. The method uses the Donsker-Varadhan representation to arrive at the estimate of the KL divergence and is better than the existing estimators in terms of scalability and flexibility. The output of MINE algorithm is not guaranteed to be a consistent estimator. We propose a new estimator that instead of searching among functions characterized by neural networks searche…
In this paper, we derive a useful lower bound for the Kullback-Leibler divergence (KL-divergence) based on the Hammersley-Chapman-Robbins bound (HCRB). The HCRB states that the variance of an estimator is bounded from below by the Chi-square divergence and the expectation value of the estimator. By using the relation between the KL-divergence and the Chi-square divergence, we show that the lower bound for the KL-divergence which only depends on the expectation value and the variance of a function we choose. This lower bound can also be derived from an information geometric approach. Furthermor…
Learning word representations has garnered greater attention in the recent past due to its diverse text applications. Word embeddings encapsulate the syntactic and semantic regularities of sentences. Modelling word embedding as multi-sense gaussian mixture distributions, will additionally capture uncertainty and polysemy of words. We propose to learn the Gaussian mixture representation of words using a Kullback-Leibler (KL) divergence based objective function. The KL divergence based energy function provides a better distance metric which can effectively capture entailment and distribution sim…
We study the problem of nonnegative rank-one approximation of a nonnegative tensor, and show that the globally optimal solution that minimizes the generalized Kullback-Leibler divergence can be efficiently obtained, i.e., it is not NP-hard. This result works for arbitrary nonnegative tensors with an arbitrary number of modes (including two, i.e., matrices). We derive a closed-form expression for the KL principal component, which is easy to compute and has an intuitive probabilistic interpretation. For generalized KL approximation with higher ranks, the problem is for the first time shown to be…
Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所（HIIT））；Aalto University（阿尔托大学）
We introduce a method, KL-LIME, for explaining predictions of Bayesian predictive models by projecting the information in the predictive distribution locally to a simpler, interpretable explanation model. The proposed approach combines the recent Local Interpretable Model-agnostic Explanations (LIME) method with ideas from Bayesian projection predictive variable selection methods. The information theoretic basis helps in navigating the trade-off between explanation fidelity and complexity. We demonstrate the method in explaining MNIST digit classifications made by a Bayesian deep convolutional…
Romanian Institute of Science and Technology（罗马尼亚科学与技术研究院）；Max Planck Institute for Mathematics in the Sciences（马克斯·普朗克数学科学研究所）
In this paper we propose two novel bounds for the log-likelihood based on Kullback-Leibler and the Rényi divergences, which can be used for variational inference and in particular for the training of Variational AutoEncoders. Our proposal is motivated by the difficulties encountered in training VAEs on continuous datasets with high contrast images, such as those with handwritten digits and characters, where numerical issues often appear unless noise is added, either to the dataset during training or to the generative model given by the decoder. The new bounds we propose, which are obtained fro…
Instituto de Investigación en Señales, Sistemas e Inteligencia Computacional, UNL, CONICET, FICH（信号、系统与智能计算研究所，国立利托拉尔大学，国家科学与技术研究理事会，水文与工程系）；Facultad de Ingeniería, Universidad Nacional de Entre Ríos（国立恩特雷里奥斯大学工程学院）；Instituto de Matemática Aplicada del Litoral, UNL, CONICET, FIQ（滨海应用数学研究所，国立利托拉尔大学，国家科学与技术研究理事会，化学工程系）
A brain computer interface (BCI) is a system which provides direct communication between the mind of a person and the outside world by using only brain activity (EEG). The event-related potential (ERP)-based BCI problem consists of a binary pattern recognition. Linear discriminant analysis (LDA) is widely used to solve this type of classification problems, but it fails when the number of features is large relative to the number of observations. In this work we propose a penalized version of the sparse discriminant analysis (SDA), called Kullback-Leibler penalized sparse discriminant analysis (…
For the multivariate linear regression model with unknown covariance, the corrected Akaike information criterion is the minimum variance unbiased estimator of the expected Kullback--Leibler discrepancy. In this study, based on the loss estimation framework, we show its inadmissibility as an estimator of the Kullback--Leibler discrepancy itself, instead of the expected Kullback--Leibler discrepancy. We provide improved estimators of the Kullback--Leibler discrepancy that work well in reduced-rank situations and examine their performance numerically.
RIKEN Center for Advanced Intelligence Project（理化学研究所先进智能项目中心）
In this work, we present formulations for regularized Kullback-Leibler and Rényi divergences via the Alpha Log-Determinant (Log-Det) divergences between positive Hilbert-Schmidt operators on Hilbert spaces in two different settings, namely (i) covariance operators and Gaussian measures defined on reproducing kernel Hilbert spaces (RKHS); and (ii) Gaussian processes with squared integrable sample paths. For characteristic kernels, the first setting leads to divergences between arbitrary Borel probability measures on a complete, separable metric space. We show that the Alpha Log-Det divergences …
We propose a method to fuse posterior distributions learned from heterogeneous datasets. Our algorithm relies on a mean field assumption for both the fused model and the individual dataset posteriors and proceeds using a simple assign-and-average approach. The components of the dataset posteriors are assigned to the proposed global model components by solving a regularized variant of the assignment problem. The global components are then updated based on these assignments by their mean under a KL divergence. For exponential family variational distributions, our formulation leads to an efficien…
School of Mathematics and Physics（数学与物理学院）；The University of Queensland（昆士兰大学）；Institute of Mathematics for Industry（产业数学研究所）；Kyushu University（九州大学）；School of Computing, Engineering, and Mathematical Sciences（计算、工程与数学科学学院）；La Trobe University（拉筹伯大学）
We consider the problem of estimating probability density functions based on sample data, using a finite mixture of densities from some component class. To this end, we introduce the $h$-lifted Kullback--Leibler (KL) divergence as a generalization of the standard KL divergence and a criterion for conducting risk minimization. Under a compact support assumption, we prove an $\mathcal{O}(1/{\sqrt{n}})$ bound on the expected estimation error when using the $h$-lifted KL divergence, which extends the results of Rakhlin et al. (2005, ESAIM: Probability and Statistics, Vol. 9) and Li and Barron (199…
Several scalable sample-based methods to compute the Kullback Leibler (KL) divergence between two distributions have been proposed and applied in large-scale machine learning models. While they have been found to be unstable, the theoretical root cause of the problem is not clear. In this paper, we study a generative adversarial network based approach that uses a neural network discriminator to estimate KL divergence. We argue that, in such case, high fluctuations in the estimates are a consequence of not controlling the complexity of the discriminator function space. We provide a theoretical …
Nonnegative matrix factorization (NMF) is a standard linear dimensionality reduction technique for nonnegative data sets. In order to measure the discrepancy between the input data and the low-rank approximation, the Kullback-Leibler (KL) divergence is one of the most widely used objective function for NMF. It corresponds to the maximum likehood estimator when the underlying statistics of the observed data sample follows a Poisson distribution, and KL NMF is particularly meaningful for count data sets, such as documents or images. In this paper, we first collect important properties of the KL …
We study an extension of the classic stochastic multi-armed bandit problem which involves multiple plays and Markovian rewards in the rested bandits setting. In order to tackle this problem we consider an adaptive allocation rule which at each stage combines the information from the sample means of all the arms, with the Kullback-Leibler upper confidence bound of a single arm which is selected in round-robin way. For rewards generated from a one-parameter exponential family of Markov chains, we provide a finite-time upper bound for the regret incurred from this adaptive allocation rule, which …
University of California Berkeley（加州大学伯克利分校）；Duke University（杜克大学）；Google Research（谷歌研究院）；University of California San Diego（加州大学圣迭戈分校）
Variational Inference (VI) is a popular alternative to asymptotically exact sampling in Bayesian inference. Its main workhorse is optimization over a reverse Kullback-Leibler divergence (RKL), which typically underestimates the tail of the posterior leading to miscalibration and potential degeneracy. Importance sampling (IS), on the other hand, is often used to fine-tune and de-bias the estimates of approximate Bayesian inference procedures. The quality of IS crucially depends on the choice of the proposal distribution. Ideally, the proposal distribution has heavier tails than the target, whic…
CAKD: A Correlation-Aware Knowledge Distillation Framework Based on Decoupling Kullback-Leibler Divergence
Institute of Automation, Chinese Academy of Sciences（中国科学院自动化研究所）；Faculty of Engineering, The University of Sydney（悉尼大学工程学院）；School of Mechanical and Electronic Engineering, Wuhan University of Technology（武汉理工大学机电工程学院）
In a first part, we present a mathematical analysis of a general methodology of a probabilistic learning inference that allows for estimating a posterior probability model for a stochastic boundary value problem from a prior probability model. The given targets are statistical moments for which the underlying realizations are not available. Under these conditions, the Kullback-Leibler divergence minimum principle is used for estimating the posterior probability measure. A statistical surrogate model of the implicit mapping, which represents the constraints, is introduced. The MCMC generator an…
A Unified Kullback--Leibler Divergence Analysis of Generative Diffusion Models via Entropy Production Rate
Department of Mathematics, The University of Hong Kong（香港大学数学系）；Materials Innovation Institute for Life Sciences and Energy (MILES), HKU-SIRI, Shenzhen（港大深圳研究院生命科学与能源材料创新研究所）
