Model-agnostic out-of-distribution detection using combined statistical tests

We present simple methods for out-of-distribution detection using a trained generative model. These techniques, based on classical statistical tests, are model-agnostic in the sense that they can be applied to any differentiable generative model. The idea is to combine a classical parametric test (Rao's score test) with the recently introduced typicality test. These two test statistics are both theoretically well-founded and exploit different sources of information based on the likelihood for the typicality test and its gradient for the score test. We show that combining them using Fisher's method overall leads to a more accurate out-of-distribution test. We also discuss the benefits of casting out-of-distribution detection as a statistical testing problem, noting in particular that false positive rate control can be valuable for practical out-of-distribution detection. Despite their simplicity and generality, these methods can be competitive with model-specific out-of-distribution detection algorithms without any assumptions on the out-distribution.

Uphill Roads to Variational Tightness: Monotonicity and Monte Carlo Objectives

We revisit the theory of importance weighted variational inference (IWVI), a promising strategy for learning latent variable models. IWVI uses new variational bounds, known as Monte Carlo objectives (MCOs), obtained by replacing intractable integrals by Monte Carlo estimates -- usually simply obtained via importance sampling. Burda, Grosse and Salakhutdinov (2016) showed that increasing the number of importance samples provably tightens the gap between the bound and the likelihood. Inspired by this simple monotonicity theorem, we present a series of nonasymptotic results that link properties of Monte Carlo estimates to tightness of MCOs. We challenge the rationale that smaller Monte Carlo variance leads to better bounds. We confirm theoretically the empirical findings of several recent papers by showing that, in a precise sense, negative correlation reduces the variational gap. We also generalise the original monotonicity theorem by considering non-uniform weights. We discuss several practical consequences of our theoretical results. Our work borrows many ideas and results from the theory of stochastic orders.

Tensor decomposition for learning Gaussian mixtures from moments

In data processing and machine learning, an important challenge is to recover and exploit models that can represent accurately the data. We consider the problem of recovering Gaussian mixture models from datasets. We investigate symmetric tensor decomposition methods for tackling this problem, where the tensor is built from empirical moments of the data distribution. We consider identifiable tensors, which have a unique decomposition, showing that moment tensors built from spherical Gaussian mixtures have this property. We prove that symmetric tensors with interpolation degree strictly less than half their order are identifiable and we present an algorithm, based on simple linear algebra operations, to compute their decomposition. Illustrative experimentations show the impact of the tensor decomposition method for recovering Gaussian mixtures, in comparison with other state-of-the-art approaches.

Unobserved classes and extra variables in high-dimensional discriminant analysis

In supervised classification problems, the test set may contain data points belonging to classes not observed in the learning phase. Moreover, the same units in the test data may be measured on a set of additional variables recorded at a subsequent stage with respect to when the learning sample was collected. In this situation, the classifier built in the learning phase needs to adapt to handle potential unknown classes and the extra dimensions. We introduce a model-based discriminant approach, Dimension-Adaptive Mixture Discriminant Analysis (D-AMDA), which can detect unobserved classes and adapt to the increasing dimensionality. Model estimation is carried out via a full inductive approach based on an EM algorithm. The method is then embedded in a more general framework for adaptive variable selection and classification suitable for data of large dimensions. A simulation study and an artificial experiment related to classification of adulterated honey samples are used to validate the ability of the proposed framework to deal with complex situations.

not-MIWAE: Deep Generative Modelling with Missing not at Random Data

When a missing process depends on the missing values themselves, it needs to be explicitly modelled and taken into account while doing likelihood-based inference. We present an approach for building and fitting deep latent variable models (DLVMs) in cases where the missing process is dependent on the missing data. Specifically, a deep neural network enables us to flexibly model the conditional distribution of the missingness pattern given the data. This allows for incorporating prior information about the type of missingness (e.g. self-censoring) into the model. Our inference technique, based on importance-weighted variational inference, involves maximising a lower bound of the joint likelihood. Stochastic gradients of the bound are obtained by using the reparameterisation trick both in latent space and data space. We show on various kinds of data sets and missingness patterns that explicitly modelling the missing process can be invaluable.

Partially Exchangeable Networks and Architectures for Learning Summary Statistics in Approximate Bayesian Computation

We present a novel family of deep neural architectures, named partially exchangeable networks (PENs) that leverage probabilistic symmetries. By design, PENs are invariant to block-switch transformations, which characterize the partial exchangeability properties of conditionally Markovian processes. Moreover, we show that any block-switch invariant function has a PEN-like representation. The DeepSets architecture is a special case of PEN and we can therefore also target fully exchangeable data. We employ PENs to learn summary statistics in approximate Bayesian computation (ABC). When comparing PENs to previous deep learning methods for learning summary statistics, our results are highly competitive, both considering time series and static models. Indeed, PENs provide more reliable posterior samples even when using less training data.

missIWAE: Deep Generative Modelling and Imputation of Incomplete Data

We present a simple technique to train deep latent variable models (DLVMs) when the training set contains missing data. Our approach is based on the importance-weighted autoencoder (IWAE) of Burda et al. (2016), and also allows single or multiple imputation of the incomplete data set. We illustrate it by training a convolutional DLVM on a static binarisation of MNIST that contains 50% of missing data. Leveraging mutiple imputations, we train a convolutional network that classifies these incomplete digits as well as complete ones.

Leveraging the Exact Likelihood of Deep Latent Variable Models

Deep latent variable models (DLVMs) combine the approximation abilities of deep neural networks and the statistical foundations of generative models. Variational methods are commonly used for inference; however, the exact likelihood of these models has been largely overlooked. The purpose of this work is to study the general properties of this quantity and to show how they can be leveraged in practice. We focus on important inferential problems that rely on the likelihood: estimation and missing data imputation. First, we investigate maximum likelihood estimation for DLVMs: in particular, we show that most unconstrained models used for continuous data have an unbounded likelihood function. This problematic behaviour is demonstrated to be a source of mode collapse. We also show how to ensure the existence of maximum likelihood estimates, and draw useful connections with nonparametric mixture models. Finally, we describe an algorithm for missing data imputation using the exact conditional likelihood of a deep latent variable model. On several data sets, our algorithm consistently and significantly outperforms the usual imputation scheme used for DLVMs.

Exact Dimensionality Selection for Bayesian PCA

We present a Bayesian model selection approach to estimate the intrinsic dimensionality of a high-dimensional dataset. To this end, we introduce a novel formulation of the probabilisitic principal component analysis model based on a normal-gamma prior distribution. In this context, we exhibit a closed-form expression of the marginal likelihood which allows to infer an optimal number of components. We also propose a heuristic based on the expected shape of the marginal likelihood curve in order to choose the hyperparameters. In non-asymptotic frameworks, we show on simulated data that this exact dimensionality selection approach is competitive with both Bayesian and frequentist state-of-the-art methods.

Bayesian Variable Selection for Globally Sparse Probabilistic PCA

Sparse versions of principal component analysis (PCA) have imposed themselves as simple, yet powerful ways of selecting relevant features of high-dimensional data in an unsupervised manner. However, when several sparse principal components are computed, the interpretation of the selected variables is difficult since each axis has its own sparsity pattern and has to be interpreted separately. To overcome this drawback, we propose a Bayesian procedure called globally sparse probabilistic PCA (GSPPCA) that allows to obtain several sparse components with the same sparsity pattern. This allows the practitioner to identify the original variables which are relevant to describe the data. To this end, using Roweis' probabilistic interpretation of PCA and a Gaussian prior on the loading matrix, we provide the first exact computation of the marginal likelihood of a Bayesian PCA model. To avoid the drawbacks of discrete model selection, a simple relaxation of this framework is presented. It allows to find a path of models using a variational expectation-maximization algorithm. The exact marginal likelihood is then maximized over this path. This approach is illustrated on real and synthetic data sets. In particular, using unlabeled microarray data, GSPPCA infers much more relevant gene subsets than traditional sparse PCA algorithms.