Mixture variational distributions in black box variational inference (BBVI) have demonstrated impressive results in challenging density estimation tasks. However, currently scaling the number of mixture components can lead to a linear increase in the number of learnable parameters and a quadratic increase in inference time due to the evaluation of the evidence lower bound (ELBO). Our two key contributions address these limitations. First, we introduce the novel Multiple Importance Sampling Variational Autoencoder (MISVAE), which amortizes the mapping from input to mixture-parameter space using one-hot encodings. Fortunately, with MISVAE, each additional mixture component incurs a negligible increase in network parameters. Second, we construct two new estimators of the ELBO for mixtures in BBVI, enabling a tremendous reduction in inference time with marginal or even improved impact on performance. Collectively, our contributions enable scalability to hundreds of mixture components and provide superior estimation performance in shorter time, with fewer network parameters compared to previous Mixture VAEs. Experimenting with MISVAE, we achieve astonishing, SOTA results on MNIST. Furthermore, we empirically validate our estimators in other BBVI settings, including Bayesian phylogenetic inference, where we improve inference times for the SOTA mixture model on eight data sets.
Kogakuin University of Technology and Engineering（工学院大学）
Finite mixture models, typically Gaussian mixtures, are well known and widely used as model-based clustering. In practical situations, there are many non-Gaussian data that are heavy-tailed and/or asymmetric. Normal inverse Gaussian (NIG) distributions are normal-variance mean which mixing densities are inverse Gaussian distributions and can be used for both haavy-tail and asymmetry. For NIG mixture models, both expectation-maximization method and variational Bayesian (VB) algorithms have been proposed. However, the existing VB algorithm for NIG mixture have a disadvantage that the shape of th…
Recent variational inference methods use stochastic gradient estimators whose variance is not well understood. Theoretical guarantees for these estimators are important to understand when these methods will or will not work. This paper gives bounds for the common "reparameterization" estimators when the target is smooth and the variational family is a location-scale distribution. These bounds are unimprovable and thus provide the best possible guarantees under the stated assumptions.
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）
The expressive power of Gaussian processes depends heavily on the choice of kernel. In this work we propose the novel harmonizable mixture kernel (HMK), a family of expressive, interpretable, non-stationary kernels derived from mixture models on the generalized spectral representation. As a theoretically sound treatment of non-stationary kernels, HMK supports harmonizable covariances, a wide subset of kernels including all stationary and many non-stationary covariances. We also propose variational Fourier features, an inter-domain sparse GP inference framework that offers a representative set …
We introduce TrustVI, a fast second-order algorithm for black-box variational inference based on trust-region optimization and the reparameterization trick. At each iteration, TrustVI proposes and assesses a step based on minibatches of draws from the variational distribution. The algorithm provably converges to a stationary point. We implemented TrustVI in the Stan framework and compared it to two alternatives: Automatic Differentiation Variational Inference (ADVI) and Hessian-free Stochastic Gradient Variational Inference (HFSGVI). The former is based on stochastic first-order optimization. …
Stanford University（斯坦福大学）；Preferred Networks；The Institute of Statistical Mathematics（统计数理研究所）
We formalize an equivalence between two popular methods for Bayesian inference: Stein variational gradient descent (SVGD) and black-box variational inference (BBVI). In particular, we show that BBVI corresponds precisely to SVGD when the kernel is the neural tangent kernel. Furthermore, we interpret SVGD and BBVI as kernel gradient flows; we do this by leveraging the recent perspective that views SVGD as a gradient flow in the space of probability distributions and showing that BBVI naturally motivates a Riemannian structure on that space. We observe that kernel gradient flow also describes dy…
University of Massachusetts, Amherst（马萨诸塞大学阿默斯特分校）
Black-box variational inference tries to approximate a complex target distribution though a gradient-based optimization of the parameters of a simpler distribution. Provable convergence guarantees require structural properties of the objective. This paper shows that for location-scale family approximations, if the target is M-Lipschitz smooth, then so is the objective, if the entropy is excluded. The key proof idea is to describe gradients in a certain inner-product space, thus permitting use of Bessel's inequality. This result gives insight into how to parameterize distributions, gives bounds…
Recent advances in coreset methods have shown that a selection of representative datapoints can replace massive volumes of data for Bayesian inference, preserving the relevant statistical information and significantly accelerating subsequent downstream tasks. Existing variational coreset constructions rely on either selecting subsets of the observed datapoints, or jointly performing approximate inference and optimizing pseudodata in the observed space akin to inducing points methods in Gaussian Processes. So far, both approaches are limited by complexities in evaluating their objectives for ge…
Helsinki Institute for Information Technology HIIT（赫尔辛基信息技术研究所（HIIT））；University of Helsinki（赫尔辛基大学）
Variational approximations are increasingly based on gradient-based optimization of expectations estimated by sampling. Handling discrete latent variables is then challenging because the sampling process is not differentiable. Continuous relaxations, such as the Gumbel-Softmax for categorical distribution, enable gradient-based optimization, but do not define a valid probability mass for discrete observations. In practice, selecting the amount of relaxation is difficult and one needs to optimize an objective that does not align with the desired one, causing problems especially with models havi…
Instituto Superior Técnico, Universidade de Lisboa（里斯本大学高等技术学院）；Instituto de Telecomunicações（电信研究所）
In the past few years, deep generative models, such as generative adversarial networks \autocite{GAN}, variational autoencoders \autocite{vaepaper}, and their variants, have seen wide adoption for the task of modelling complex data distributions. In spite of the outstanding sample quality achieved by those early methods, they model the target distributions \emph{implicitly}, in the sense that the probability density functions induced by them are not explicitly accessible. This fact renders those methods unfit for tasks that require, for example, scoring new instances of data with the learned d…
University of British Columbia（不列颠哥伦比亚大学）；RIKEN Center for Advanced Intelligence Project（理化学研究所先进智能项目中心）
Natural-gradient methods enable fast and simple algorithms for variational inference, but due to computational difficulties, their use is mostly limited to \emph{minimal} exponential-family (EF) approximations. In this paper, we extend their application to estimate \emph{structured} approximations such as mixtures of EF distributions. Such approximations can fit complex, multimodal posterior distributions and are generally more accurate than unimodal EF approximations. By using a \emph{minimal conditional-EF} representation of such approximations, we derive simple natural-gradient updates. Our…
Black box variational inference (BBVI) with reparameterization gradients triggered the exploration of divergence measures other than the Kullback-Leibler (KL) divergence, such as alpha divergences. In this paper, we view BBVI with generalized divergences as a form of estimating the marginal likelihood via biased importance sampling. The choice of divergence determines a bias-variance trade-off between the tightness of a bound on the marginal likelihood (low bias) and the variance of its gradient estimators. Drawing on variational perturbation theory of statistical physics, we use these insight…
Samsung AI Center（三星人工智能中心）；Rutgers University（罗格斯大学）
Inference networks of traditional Variational Autoencoders (VAEs) are typically amortized, resulting in relatively inaccurate posterior approximation compared to instance-wise variational optimization. Recent semi-amortized approaches were proposed to address this drawback; however, their iterative gradient update procedures can be computationally demanding. To address these issues, in this paper we introduce an accurate amortized inference algorithm. We propose a novel recursive mixture estimation algorithm for VAEs that iteratively augments the current mixture with new components so as to ma…
We introduce overdispersed black-box variational inference, a method to reduce the variance of the Monte Carlo estimator of the gradient in black-box variational inference. Instead of taking samples from the variational distribution, we use importance sampling to take samples from an overdispersed distribution in the same exponential family as the variational approximation. Our approach is general since it can be readily applied to any exponential family distribution, which is the typical choice for the variational approximation. We run experiments on two non-conjugate probabilistic models to …
Variation Autoencoder (VAE) has become a powerful tool in modeling the non-linear generative process of data from a low-dimensional latent space. Recently, several studies have proposed to use VAE for unsupervised clustering by using mixture models to capture the multi-modal structure of latent representations. This strategy, however, is ineffective when there are outlier data samples whose latent representations are meaningless, yet contaminating the estimation of key major clusters in the latent space. This exact problem arises in the context of resting-state fMRI (rs-fMRI) analysis, where c…
University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校）；Mount Holyoke College（曼荷莲学院）
Recent research has seen several advances relevant to black-box VI, but the current state of automatic posterior inference is unclear. One such advance is the use of normalizing flows to define flexible posterior densities for deep latent variable models. Another direction is the integration of Monte-Carlo methods to serve two purposes; first, to obtain tighter variational objectives for optimization, and second, to define enriched variational families through sampling. However, both flows and variational Monte-Carlo methods remain relatively unexplored for black-box VI. Moreover, on a pragmat…
Parameter estimation for model-based clustering using a finite mixture of normal inverse Gaussian (NIG) distributions is achieved through variational Bayes approximations. Univariate NIG mixtures and multivariate NIG mixtures are considered. The use of variational Bayes approximations here is a substantial departure from the traditional EM approach and alleviates some of the associated computational complexities and uncertainties. Our variational algorithm is applied to simulated and real data. The paper concludes with discussion and suggestions for future work.
In this paper, we develop an unsupervised generative clustering framework that combines the Variational Information Bottleneck and the Gaussian Mixture Model. Specifically, in our approach, we use the Variational Information Bottleneck method and model the latent space as a mixture of Gaussians. We derive a bound on the cost function of our model that generalizes the Evidence Lower Bound (ELBO) and provide a variational inference type algorithm that allows computing it. In the algorithm, the coders' mappings are parametrized using neural networks, and the bound is approximated by Monte Carlo s…
Max-Planck Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）；ETH Zurich（苏黎世联邦理工学院）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）
Approximating a probability density in a tractable manner is a central task in Bayesian statistics. Variational Inference (VI) is a popular technique that achieves tractability by choosing a relatively simple variational family. Borrowing ideas from the classic boosting framework, recent approaches attempt to \emph{boost} VI by replacing the selection of a single density with a greedily constructed mixture of densities. In order to guarantee convergence, previous works impose stringent assumptions that require significant effort for practitioners. Specifically, they require a custom implementa…
Variational inference has become a widely used method to approximate posteriors in complex latent variables models. However, deriving a variational inference algorithm generally requires significant model-specific analysis, and these efforts can hinder and deter us from quickly developing and exploring a variety of models for a problem at hand. In this paper, we present a "black box" variational inference algorithm, one that can be quickly applied to many models with little additional derivation. Our method is based on a stochastic optimization of the variational objective where the noisy grad…
Google Research（谷歌研究院）；Georgia Institute of Technology（佐治亚理工学院）
Automatic Differentiation Variational Inference (ADVI) is a useful tool for efficiently learning probabilistic models in machine learning. Generally approximate posteriors learned by ADVI are forced to be unimodal in order to facilitate use of the reparameterization trick. In this paper, we show how stratified sampling may be used to enable mixture distributions as the approximate posterior, and derive a new lower bound on the evidence analogous to the importance weighted autoencoder (IWAE). We show that this "SIWAE" is a tighter bound than both IWAE and the traditional ELBO, both of which are…
This paper presents an infinite variational autoencoder (VAE) whose capacity adapts to suit the input data. This is achieved using a mixture model where the mixing coefficients are modeled by a Dirichlet process, allowing us to integrate over the coefficients when performing inference. Critically, this then allows us to automatically vary the number of autoencoders in the mixture based on the data. Experiments show the flexibility of our method, particularly for semi-supervised learning, where only a small number of training samples are available.
Ruhr University Bochum（波鸿鲁尔大学）；Bucknell University（巴克内尔大学）
Traditional computational authorship attribution describes a classification task in a closed-set scenario. Given a finite set of candidate authors and corresponding labeled texts, the objective is to determine which of the authors has written another set of anonymous or disputed texts. In this work, we propose a probabilistic autoencoding framework to deal with this supervised classification task. More precisely, we are extending a variational autoencoder (VAE) with embedded Gaussian mixture model to a Student-$t$ mixture model. Autoencoders have had tremendous success in learning latent repre…
In inference, open-set classification is to either classify a sample into a known class from training or reject it as an unknown class. Existing deep open-set classifiers train explicit closed-set classifiers, in some cases disjointly utilizing reconstruction, which we find dilutes the latent representation's ability to distinguish unknown classes. In contrast, we train our model to cooperatively learn reconstruction and perform class-based clustering in the latent space. With this, our Gaussian mixture variational autoencoder (GMVAE) achieves more accurate and robust open-set classification r…
TU Darmstadt（达姆施塔特工业大学）；University of Aberdeen（阿伯丁大学）；Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）；Bosch Center for Artificial Intelligence（博世人工智能中心）
Many methods for machine learning rely on approximate inference from intractable probability distributions. Variational inference approximates such distributions by tractable models that can be subsequently used for approximate inference. Learning sufficiently accurate approximations requires a rich model family and careful exploration of the relevant modes of the target distribution. We propose a method for learning accurate GMM approximations of intractable probability distributions based on insights from policy search by using information-geometric trust regions for principled exploration. …
Max Planck Institute of Intelligent Systems（马克斯·普朗克智能系统研究所）；IBM Research AI（IBM研究院人工智能部门）
Susceptibility of deep neural networks to adversarial attacks poses a major theoretical and practical challenge. All efforts to harden classifiers against such attacks have seen limited success. Two distinct categories of samples to which deep networks are vulnerable, "adversarial samples" and "fooling samples", have been tackled separately so far due to the difficulty posed when considered together. In this work, we show how one can address them both under one unified framework. We tie a discriminative model with a generative model, rendering the adversarial objective to entail a conflict. Ou…
Jointly identifying a mixture of discrete and continuous factors of variability without supervision is a key problem in unraveling complex phenomena. Variational inference has emerged as a promising method to learn interpretable mixture representations. However, posterior approximation in high-dimensional latent spaces, particularly for discrete factors remains challenging. Here, we propose an unsupervised variational framework using multiple interacting networks called cpl-mixVAE that scales well to high-dimensional discrete settings. In this framework, the mixture representation of each netw…
We study a variant of the variational autoencoder model (VAE) with a Gaussian mixture as a prior distribution, with the goal of performing unsupervised clustering through deep generative models. We observe that the known problem of over-regularisation that has been shown to arise in regular VAEs also manifests itself in our model and leads to cluster degeneracy. We show that a heuristic called minimum information constraint that has been shown to mitigate this effect in VAEs can also be applied to improve unsupervised clustering performance with our model. Furthermore we analyse the effect of …
Although the expectation maximisation (EM) algorithm was introduced in 1970, it remains somewhat inaccessible to machine learning practitioners due to its obscure notation, terse proofs and lack of concrete links to modern machine learning techniques like autoencoded variational Bayes. This has resulted in gaps in the AI literature concerning the meaning of such concepts like "latent variables" and "variational lower bound," which are frequently used but often not clearly explained. The roots of these ideas lie in the EM algorithm. We first give a tutorial presentation of the EM algorithm for …
A spectral mixture (SM) kernel is a flexible kernel used to model any stationary covariance function. Although it is useful in modeling data, the learning of the SM kernel is generally difficult because optimizing a large number of parameters for the SM kernel typically induces an over-fitting, particularly when a gradient-based optimization is used. Also, a longer training time is required. To improve the training, we propose an approximate Bayesian inference for the SM kernel. Specifically, we employ the variational distribution of the spectral points to approximate SM kernel with a random F…
A Framework for Improving the Reliability of Black-box Variational Inference
Department of Mathematics \& Statistics, Boston University, mw；DTU Compute, Technical University of Denmark, mra；Department of Computer Science, Aalto University, av；Faculty of Computing \& Data Sciences, Boston University, jh
Parameter inference for stochastic differential equations is challenging due to the presence of a latent diffusion process. Working with an Euler-Maruyama discretisation for the diffusion, we use variational inference to jointly learn the parameters and the diffusion paths. We use a standard mean-field variational approximation of the parameter posterior, and introduce a recurrent neural network to approximate the posterior for the diffusion paths conditional on the parameters. This neural network learns how to provide Gaussian state transitions which bridge between observations in a very simi…
Deep learning, even if it is very successful nowadays, traditionally needs very large amounts of labeled data to perform excellent on the classification task. In an attempt to solve this problem, the one-shot learning paradigm, which makes use of just one labeled sample per class and prior knowledge, becomes increasingly important. In this paper, we propose a new one-shot learning method, dubbed MoVAE (Mixture of Variational AutoEncoders), to perform classification. Complementary to prior studies, MoVAE represents a shift of paradigm in comparison with the usual one-shot learning methods, as i…
Sparse models are desirable for many applications across diverse domains as they can perform automatic variable selection, aid interpretability, and provide regularization. When fitting sparse models in a Bayesian framework, however, analytically obtaining a posterior distribution over the parameters of interest is intractable for all but the simplest cases. As a result practitioners must rely on either sampling algorithms such as Markov chain Monte Carlo or variational methods to obtain an approximate posterior. Mean field variational inference is a particularly simple and popular framework t…
Mixtures of linear mixed models (MLMMs) are useful for clustering grouped data and can be estimated by likelihood maximization through the EM algorithm. The conventional approach to determining a suitable number of components is to compare different mixture models using penalized log-likelihood criteria such as BIC.We propose fitting MLMMs with variational methods which can perform parameter estimation and model selection simultaneously. A variational approximation is described where the variational lower bound and parameter updates are in closed form, allowing fast evaluation. A new variation…
LTCI, Télécom Paris（巴黎电信学院LTCI实验室）；Institut Polytechnique de Paris（巴黎理工学院）；SAMOVAR, Télécom SudParis（南巴黎电信学院SAMOVAR实验室）
This paper focuses on $α$-divergence minimisation methods for Variational Inference. More precisely, we are interested in algorithms optimising the mixture weights of any given mixture model, without any information on the underlying distribution of its mixture components parameters. The Power Descent, defined for all $α\neq 1$, is one such algorithm and we establish in our work the full proof of its convergence towards the optimal mixture weights when $α<1$. Since the $α$-divergence recovers the widely-used forward Kullback-Leibler when $α\to 1$, we then extend the Power Descent to the case $…
