As 3D point clouds become the representation of choice for multiple vision and graphics applications, the ability to synthesize or reconstruct high-resolution, high-fidelity point clouds becomes crucial. Despite the recent success of deep learning models in discriminative tasks of point clouds, generating point clouds remains challenging. This paper proposes a principled probabilistic framework to generate 3D point clouds by modeling them as a distribution of distributions. Specifically, we learn a two-level hierarchy of distributions where the first level is the distribution of shapes and the second level is the distribution of points given a shape. This formulation allows us to both sample shapes and sample an arbitrary number of points from a shape. Our generative model, named PointFlow, learns each level of the distribution with a continuous normalizing flow. The invertibility of normalizing flows enables the computation of the likelihood during training and allows us to train our model in the variational inference framework. Empirically, we demonstrate that PointFlow achieves state-of-the-art performance in point cloud generation. We additionally show that our model can faithfully reconstruct point clouds and learn useful representations in an unsupervised manner. The code will be available at https://github.com/stevenygd/PointFlow.
The problem of estimating event truths from conflicting agent opinions in a social network is investigated. An autoencoder learns the complex relationships between event truths, agent reliabilities and agent observations. A Bayesian network model is proposed to guide the learning process by modeling the relationship of the autoencoder's outputs with different variables. At the same time, it also models the social relationships between agents in the network. The proposed approach is unsupervised and is applicable when ground truth labels of events are unavailable. A variational inference method is used to jointly estimate the hidden variables in the Bayesian network and the parameters in the autoencoder. Experiments on three real datasets demonstrate that our proposed approach is competitive with, and in most cases better than, several state-of-the-art benchmark methods.
We study a formalization of the grammar induction problem that models sentences as being generated by a compound probabilistic context-free grammar. In contrast to traditional formulations which learn a single stochastic grammar, our grammar's rule probabilities are modulated by a per-sentence continuous latent variable, which induces marginal dependencies beyond the traditional context-free assumptions. Inference in this grammar is performed by collapsed variational inference, in which an amortized variational posterior is placed on the continuous variable, and the latent trees are marginalized out with dynamic programming. Experiments on English and Chinese show the effectiveness of our approach compared to recent state-of-the-art methods when evaluated on unsupervised parsing.
Supervised Deep Learning has been highly successful in recent years, achieving state-of-the-art results in most tasks. However, with the ongoing uptake of such methods in industrial applications, the requirement for large amounts of annotated data is often a challenge. In most real world problems, manual annotation is practically intractable due to time/labour constraints, thus the development of automated and adaptive data annotation systems is highly sought after. In this paper, we propose both a (i) Deep Bayesian Self-Training methodology for automatic data annotation, by leveraging predictive uncertainty estimates using variational inference and modern Neural Network architectures, as well as (ii) a practical adaptation procedure for handling high label variability between different dataset distributions through clustering of Neural Network latent variable representations. An experimental study on both public and private datasets is presented illustrating the superior performance of the proposed approach over standard Self-Training baselines, highlighting the importance of predictive uncertainty estimates in safety-critical domains.
We investigate the potential of stochastic neural networks for learning effective waveform-based acoustic models. The waveform-based setting, inherent to fully end-to-end speech recognition systems, is motivated by several comparative studies of automatic and human speech recognition that associate standard non-adaptive feature extraction techniques with information loss which can adversely affect robustness. Stochastic neural networks, on the other hand, are a class of models capable of incorporating rich regularization mechanisms into the learning process. We consider a deep convolutional neural network that first decomposes speech into frequency sub-bands via an adaptive parametric convolutional block where filters are specified by cosine modulations of compactly supported windows. The network then employs standard non-parametric 1D convolutions to extract relevant spectro-temporal patterns while gradually compressing the structured high dimensional representation generated by the parametric block. We rely on a probabilistic parametrization of the proposed neural architecture and learn the model using stochastic variational inference. This requires evaluation of an analytically intractable integral defining the Kullback-Leibler divergence term responsible for regularization, for which we propose an effective approximation based on the Gauss-Hermite quadrature. Our empirical results demonstrate a superior performance of the proposed approach over comparable waveform-based baselines and indicate that it could lead to robustness. Moreover, the approach outperforms a recently proposed deep convolutional neural network for learning of robust acoustic models with standard FBANK features.
Semantic dependency parsing aims to identify semantic relationships between words in a sentence that form a graph. In this paper, we propose a second-order semantic dependency parser, which takes into consideration not only individual dependency edges but also interactions between pairs of edges. We show that second-order parsing can be approximated using mean field (MF) variational inference or loopy belief propagation (LBP). We can unfold both algorithms as recurrent layers of a neural network and therefore can train the parser in an end-to-end manner. Our experiments show that our approach achieves state-of-the-art performance.
The Black Box Variational Inference (Ranganath et al. (2014)) algorithm provides a universal method for Variational Inference, but taking advantage of special properties of the approximation family or of the target can improve the convergence speed significantly. For example, if the approximation family is a transformation family, such as a Gaussian, then switching to the reparameterization gradient (Kingma and Welling (2014)) often yields a major reduction in gradient variance. Ultimately, reducing the variance can reduce the computational cost and yield better approximations. We present a new method to extend the reparameterization trick to more general exponential families including the Wishart, Gamma, and Student distributions. Variational Inference with Numerical Derivatives (VIND) approximates the gradient with numerical derivatives and reduces its variance using a tight coupling of the approximation family. The resulting algorithm is simple to implement and can profit from widely known couplings. Our experiments confirm that VIND effectively decreases the gradient variance and therefore improves the posterior approximation in relevant cases. It thus provides an efficient yet simple Variational Inference method for computing non-Gaussian approximations.
Training deep generative models with maximum likelihood remains a challenge. The typical workaround is to use variational inference (VI) and maximize a lower bound to the log marginal likelihood of the data. Variational auto-encoders (VAEs) adopt this approach. They further amortize the cost of inference by using a recognition network to parameterize the variational family. Amortized VI scales approximate posterior inference in deep generative models to large datasets. However it introduces an amortization gap and leads to approximate posteriors of reduced expressivity due to the problem known as posterior collapse. In this paper, we consider expectation maximization (EM) as a paradigm for fitting deep generative models. Unlike VI, EM directly maximizes the log marginal likelihood of the data. We rediscover the importance weighted auto-encoder (IWAE) as an instance of EM and propose a new EM-based algorithm for fitting deep generative models called reweighted expectation maximization (REM). REM learns better generative models than the IWAE by decoupling the learning dynamics of the generative model and the recognition network using a separate expressive proposal found by moment matching. We compared REM to the VAE and the IWAE on several density estimation benchmarks and found it leads to significantly better performance as measured by log-likelihood.
We identify a new variational inference scheme for dynamical systems whose transition function is modelled by a Gaussian process. Inference in this setting has either employed computationally intensive MCMC methods, or relied on factorisations of the variational posterior. As we demonstrate in our experiments, the factorisation between latent system states and transition function can lead to a miscalibrated posterior and to learning unnecessarily large noise terms. We eliminate this factorisation by explicitly modelling the dependence between state trajectories and the Gaussian process posterior. Samples of the latent states can then be tractably generated by conditioning on this representation. The method we obtain (VCDT: variationally coupled dynamics and trajectories) gives better predictive performance and more calibrated estimates of the transition function, yet maintains the same time and space complexities as mean-field methods. Code is available at: github.com/ialong/GPt.
Recent advances in Neural Variational Inference allowed for a renaissance in latent variable models in a variety of domains involving high-dimensional data. While traditional variational methods derive an analytical approximation for the intractable distribution over the latent variables, here we construct an inference network conditioned on the symbolic representation of entities and relation types in the Knowledge Graph, to provide the variational distributions. The new framework results in a highly-scalable method. Under a Bernoulli sampling framework, we provide an alternative justification for commonly used techniques in large-scale stochastic variational inference, which drastically reduce training time at a cost of an additional approximation to the variational lower bound. We introduce two models from this highly scalable probabilistic framework, namely the Latent Information and Latent Fact models, for reasoning over knowledge graph-based representations. Our Latent Information and Latent Fact models improve upon baseline performance under certain conditions. We use the learnt embedding variance to estimate predictive uncertainty during link prediction, and discuss the quality of these learnt uncertainty estimates. Our source code and datasets are publicly available online at https://github.com/alexanderimanicowenrivers/Neural-Variational-Knowledge-Graphs.
We focus on the problem of streaming recommender system and explore novel collaborative filtering algorithms to handle the data dynamicity and complexity in a streaming manner. Although deep neural networks have demonstrated the effectiveness of recommendation tasks, it is lack of explorations on integrating probabilistic models and deep architectures under streaming recommendation settings. Conjoining the complementary advantages of probabilistic models and deep neural networks could enhance both model effectiveness and the understanding of inference uncertainties. To bridge the gap, in this paper, we propose a Coupled Variational Recurrent Collaborative Filtering (CVRCF) framework based on the idea of Deep Bayesian Learning to handle the streaming recommendation problem. The framework jointly combines stochastic processes and deep factorization models under a Bayesian paradigm to model the generation and evolution of users' preferences and items' popularities. To ensure efficient optimization and streaming update, we further propose a sequential variational inference algorithm based on a cross variational recurrent neural network structure. Experimental results on three benchmark datasets demonstrate that the proposed framework performs favorably against the state-of-the-art methods in terms of both temporal dependency modeling and predictive accuracy. The learned latent variables also provide visualized interpretations for the evolution of temporal dynamics.
The Koopman operator has emerged as a powerful tool for the analysis of nonlinear dynamical systems as it provides coordinate transformations to globally linearize the dynamics. While recent deep learning approaches have been useful in extracting the Koopman operator from a data-driven perspective, several challenges remain. In this work, we formalize the problem of learning the continuous-time Koopman operator with deep neural networks in a measure-theoretic framework. Our approach induces two types of models: differential and recurrent form, the choice of which depends on the availability of the governing equations and data. We then enforce a structural parameterization that renders the realization of the Koopman operator provably stable. A new autoencoder architecture is constructed, such that only the residual of the dynamic mode decomposition is learned. Finally, we employ mean-field variational inference (MFVI) on the aforementioned framework in a hierarchical Bayesian setting to quantify uncertainties in the characterization and prediction of the dynamics of observables. The framework is evaluated on a simple polynomial system, the Duffing oscillator, and an unstable cylinder wake flow with noisy measurements.
The proliferation of automated inference algorithms in Bayesian statistics has provided practitioners newfound access to fast, reproducible data analysis and powerful statistical models. Designing automated methods that are also both computationally scalable and theoretically sound, however, remains a significant challenge. Recent work on Bayesian coresets takes the approach of compressing the dataset before running a standard inference algorithm, providing both scalability and guarantees on posterior approximation error. But the automation of past coreset methods is limited because they depend on the availability of a reasonable coarse posterior approximation, which is difficult to specify in practice. In the present work we remove this requirement by formulating coreset construction as sparsity-constrained variational inference within an exponential family. This perspective leads to a novel construction via greedy optimization, and also provides a unifying information-geometric view of present and past methods. The proposed Riemannian coreset construction algorithm is fully automated, requiring no problem-specific inputs aside from the probabilistic model and dataset. In addition to being significantly easier to use than past methods, experiments demonstrate that past coreset constructions are fundamentally limited by the fixed coarse posterior approximation; in contrast, the proposed algorithm is able to continually improve the coreset, providing state-of-the-art Bayesian dataset summarization with orders-of-magnitude reduction in KL divergence to the exact posterior.
A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.
A novel variational inference based resampling framework is proposed to evaluate the robustness and generalization capability of deep learning models with respect to distribution shift. We use Auto Encoding Variational Bayes to find a latent representation of the data, on which a Variational Gaussian Mixture Model is applied to deliberately create distribution shift by dividing the dataset into different clusters. Wasserstein distance is used to characterize the extent of distribution shift between the generated data splits. We compare several popular Convolutional Neural Network (CNN) architectures and Bayesian CNN models for image classification on the Fashion-MNIST dataset, to assess their robustness and generalization behavior under the deliberately created distribution shift, as well as under random Cross Validation. Our method of creating artificial domain splits of a single dataset can also be used to establish novel model selection criteria and assessment tools in machine learning, as well as benchmark methods for domain adaptation and domain generalization approaches.
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 empirical results demonstrate a faster convergence of our natural-gradient method compared to black-box gradient-based methods with reparameterization gradients. Our work expands the scope of natural gradients for Bayesian inference and makes them more widely applicable than before.
Bayesian methods promise to fix many shortcomings of deep learning, but they are impractical and rarely match the performance of standard methods, let alone improve them. In this paper, we demonstrate practical training of deep networks with natural-gradient variational inference. By applying techniques such as batch normalisation, data augmentation, and distributed training, we achieve similar performance in about the same number of epochs as the Adam optimiser, even on large datasets such as ImageNet. Importantly, the benefits of Bayesian principles are preserved: predictive probabilities are well-calibrated, uncertainties on out-of-distribution data are improved, and continual-learning performance is boosted. This work enables practical deep learning while preserving benefits of Bayesian principles. A PyTorch implementation is available as a plug-and-play optimiser.
We propose a framework that lifts the capabilities of graph convolutional networks (GCNs) to scenarios where no input graph is given and increases their robustness to adversarial attacks. We formulate a joint probabilistic model that considers a prior distribution over graphs along with a GCN-based likelihood and develop a stochastic variational inference algorithm to estimate the graph posterior and the GCN parameters jointly. To address the problem of propagating gradients through latent variables drawn from discrete distributions, we use their continuous relaxations known as Concrete distributions. We show that, on real datasets, our approach can outperform state-of-the-art Bayesian and non-Bayesian graph neural network algorithms on the task of semi-supervised classification in the absence of graph data and when the network structure is subjected to adversarial perturbations.
Nonlinear state-space models are powerful tools to describe dynamical structures in complex time series. In a streaming setting where data are processed one sample at a time, simultaneous inference of the state and its nonlinear dynamics has posed significant challenges in practice. We develop a novel online learning framework, leveraging variational inference and sequential Monte Carlo, which enables flexible and accurate Bayesian joint filtering. Our method provides an approximation of the filtering posterior which can be made arbitrarily close to the true filtering distribution for a wide class of dynamics models and observation models. Specifically, the proposed framework can efficiently approximate a posterior over the dynamics using sparse Gaussian processes, allowing for an interpretable model of the latent dynamics. Constant time complexity per sample makes our approach amenable to online learning scenarios and suitable for real-time applications.
Boosting variational inference (BVI) approximates an intractable probability density by iteratively building up a mixture of simple component distributions one at a time, using techniques from sparse convex optimization to provide both computational scalability and approximation error guarantees. But the guarantees have strong conditions that do not often hold in practice, resulting in degenerate component optimization problems; and we show that the ad-hoc regularization used to prevent degeneracy in practice can cause BVI to fail in unintuitive ways. We thus develop universal boosting variational inference (UBVI), a BVI scheme that exploits the simple geometry of probability densities under the Hellinger metric to prevent the degeneracy of other gradient-based BVI methods, avoid difficult joint optimizations of both component and weight, and simplify fully-corrective weight optimizations. We show that for any target density and any mixture component family, the output of UBVI converges to the best possible approximation in the mixture family, even when the mixture family is misspecified. We develop a scalable implementation based on exponential family mixture components and standard stochastic optimization techniques. Finally, we discuss statistical benefits of the Hellinger distance as a variational objective through bounds on posterior probability, moment, and importance sampling errors. Experiments on multiple datasets and models show that UBVI provides reliable, accurate posterior approximations.