Variational Auto-Encoders (VAEs) have become very popular techniques to perform inference and learning in latent variable models as they allow us to leverage the rich representational power of neural networks to obtain flexible approximations of the posterior of latent variables as well as tight evidence lower bounds (ELBOs). Combined with stochastic variational inference, this provides a methodology scaling to large datasets. However, for this methodology to be practically efficient, it is necessary to obtain low-variance unbiased estimators of the ELBO and its gradients with respect to the parameters of interest. While the use of Markov chain Monte Carlo (MCMC) techniques such as Hamiltonian Monte Carlo (HMC) has been previously suggested to achieve this [23, 26], the proposed methods require specifying reverse kernels which have a large impact on performance. Additionally, the resulting unbiased estimator of the ELBO for most MCMC kernels is typically not amenable to the reparameterization trick. We show here how to optimally select reverse kernels in this setting and, by building upon Hamiltonian Importance Sampling (HIS) [17], we obtain a scheme that provides low-variance unbiased estimators of the ELBO and its gradients using the reparameterization trick. This allows us to develop a Hamiltonian Variational Auto-Encoder (HVAE). This method can be reinterpreted as a target-informed normalizing flow [20] which, within our context, only requires a few evaluations of the gradient of the sampled likelihood and trivial Jacobian calculations at each iteration.
Multimodal sensory data resembles the form of information perceived by humans for learning, and are easy to obtain in large quantities. Compared to unimodal data, synchronization of concepts between modalities in such data provides supervision for disentangling the underlying explanatory factors of each modality. Previous work leveraging multimodal data has mainly focused on retaining only the modality-invariant factors while discarding the rest. In this paper, we present a partitioned variational autoencoder (PVAE) and several training objectives to learn disentangled representations, which encode not only the shared factors, but also modality-dependent ones, into separate latent variables. Specifically, PVAE integrates a variational inference framework and a multimodal generative model that partitions the explanatory factors and conditions only on the relevant subset of them for generation. We evaluate our model on two parallel speech/image datasets, and demonstrate its ability to learn disentangled representations by qualitatively exploring within-modality and cross-modality conditional generation with semantics and styles specified by examples. For quantitative analysis, we evaluate the classification accuracy of automatically discovered semantic units. Our PVAE can achieve over 99% accuracy on both modalities.
Semi-implicit variational inference (SIVI) is introduced to expand the commonly used analytic variational distribution family, by mixing the variational parameter with a flexible distribution. This mixing distribution can assume any density function, explicit or not, as long as independent random samples can be generated via reparameterization. Not only does SIVI expand the variational family to incorporate highly flexible variational distributions, including implicit ones that have no analytic density functions, but also sandwiches the evidence lower bound (ELBO) between a lower bound and an upper bound, and further derives an asymptotically exact surrogate ELBO that is amenable to optimization via stochastic gradient ascent. With a substantially expanded variational family and a novel optimization algorithm, SIVI is shown to closely match the accuracy of MCMC in inferring the posterior in a variety of Bayesian inference tasks.
In this paper, we introduce a new form of amortized variational inference by using the forward KL divergence in a joint-contrastive variational loss. The resulting forward amortized variational inference is a likelihood-free method as its gradient can be sampled without bias and without requiring any evaluation of either the model joint distribution or its derivatives. We prove that our new variational loss is optimized by the exact posterior marginals in the fully factorized mean-field approximation, a property that is not shared with the more conventional reverse KL inference. Furthermore, we show that forward amortized inference can be easily marginalized over large families of latent variables in order to obtain a marginalized variational posterior. We consider two examples of variational marginalization. In our first example we train a Bayesian forecaster for predicting a simplified chaotic model of atmospheric convection. In the second example we train an amortized variational approximation of a Bayesian optimal classifier by marginalizing over the model space. The result is a powerful meta-classification network that can solve arbitrary classification problems without further training.
We present a new algorithm for stochastic variational inference that targets at models with non-differentiable densities. One of the key challenges in stochastic variational inference is to come up with a low-variance estimator of the gradient of a variational objective. We tackle the challenge by generalizing the reparameterization trick, one of the most effective techniques for addressing the variance issue for differentiable models, so that the trick works for non-differentiable models as well. Our algorithm splits the space of latent variables into regions where the density of the variables is differentiable, and their boundaries where the density may fail to be differentiable. For each differentiable region, the algorithm applies the standard reparameterization trick and estimates the gradient restricted to the region. For each potentially non-differentiable boundary, it uses a form of manifold sampling and computes the direction for variational parameters that, if followed, would increase the boundary's contribution to the variational objective. The sum of all the estimates becomes the gradient estimate of our algorithm. Our estimator enjoys the reduced variance of the reparameterization gradient while remaining unbiased even for non-differentiable models. The experiments with our preliminary implementation confirm the benefit of reduced variance and unbiasedness.
Recent years have witnessed a rise in the frequency and intensity of cyberattacks targeted at critical infrastructure systems. This study designs a versatile, data-driven cyberattack detection platform for infrastructure systems cybersecurity, with a special demonstration in water sector. A deep generative model with variational inference autonomously learns normal system behavior and detects attacks as they occur. The model can process the natural data in its raw form and automatically discover and learn its representations, hence augmenting system knowledge discovery and reducing the need for laborious human engineering and domain expertise. The proposed model is applied to a simulated cyberattack detection problem involving a drinking water distribution system subject to programmable logic controller hacks, malicious actuator activation, and deception attacks. The model is only provided with observations of the system, such as pump pressure and tank water level reads, and is blind to the internal structures and workings of the water distribution system. The simulated attacks are manifested in the model's generated reproduction probability plot, indicating its ability to discern the attacks. There is, however, need for improvements in reducing false alarms, especially by optimizing detection thresholds. Altogether, the results indicate ability of the model in distinguishing attacks and their repercussions from normal system operation in water distribution systems, and the promise it holds for cyberattack detection in other domains.
This paper introduces Wasserstein variational inference, a new form of approximate Bayesian inference based on optimal transport theory. Wasserstein variational inference uses a new family of divergences that includes both f-divergences and the Wasserstein distance as special cases. The gradients of the Wasserstein variational loss are obtained by backpropagating through the Sinkhorn iterations. This technique results in a very stable likelihood-free training method that can be used with implicit distributions and probabilistic programs. Using the Wasserstein variational inference framework, we introduce several new forms of autoencoders and test their robustness and performance against existing variational autoencoding techniques.
We exploit the link between the transport equation and derivatives of expectations to construct efficient pathwise gradient estimators for multivariate distributions. We focus on two main threads. First, we use null solutions of the transport equation to construct adaptive control variates that can be used to construct gradient estimators with reduced variance. Second, we consider the case of multivariate mixture distributions. In particular we show how to compute pathwise derivatives for mixtures of multivariate Normal distributions with arbitrary means and diagonal covariances. We demonstrate in a variety of experiments in the context of variational inference that our gradient estimators can outperform other methods, especially in high dimensions.
We observe that gradients computed via the reparameterization trick are in direct correspondence with solutions of the transport equation in the formalism of optimal transport. We use this perspective to compute (approximate) pathwise gradients for probability distributions not directly amenable to the reparameterization trick: Gamma, Beta, and Dirichlet. We further observe that when the reparameterization trick is applied to the Cholesky-factorized multivariate Normal distribution, the resulting gradients are suboptimal in the sense of optimal transport. We derive the optimal gradients and show that they have reduced variance in a Gaussian Process regression task. We demonstrate with a variety of synthetic experiments and stochastic variational inference tasks that our pathwise gradients are competitive with other methods.
We formalize the problem of learning interdomain correspondences in the absence of paired data as Bayesian inference in a latent variable model (LVM), where one seeks the underlying hidden representations of entities from one domain as entities from the other domain. First, we introduce implicit latent variable models, where the prior over hidden representations can be specified flexibly as an implicit distribution. Next, we develop a new variational inference (VI) algorithm for this model based on minimization of the symmetric Kullback-Leibler (KL) divergence between a variational joint and the exact joint distribution. Lastly, we demonstrate that the state-of-the-art cycle-consistent adversarial learning (CYCLEGAN) models can be derived as a special case within our proposed VI framework, thus establishing its connection to approximate Bayesian inference methods.
We introduce a scalable Bayesian preference learning method for identifying convincing arguments in the absence of gold-standard rat- ings or rankings. In contrast to previous work, we avoid the need for separate methods to perform quality control on training data, predict rankings and perform pairwise classification. Bayesian approaches are an effective solution when faced with sparse or noisy training data, but have not previously been used to identify convincing arguments. One issue is scalability, which we address by developing a stochastic variational inference method for Gaussian process (GP) preference learning. We show how our method can be applied to predict argument convincingness from crowdsourced data, outperforming the previous state-of-the-art, particularly when trained with small amounts of unreliable data. We demonstrate how the Bayesian approach enables more effective active learning, thereby reducing the amount of data required to identify convincing arguments for new users and domains. While word embeddings are principally used with neural networks, our results show that word embeddings in combination with linguistic features also benefit GPs when predicting argument convincingness.
We introduce a new Bayesian multi-class support vector machine by formulating a pseudo-likelihood for a multi-class hinge loss in the form of a location-scale mixture of Gaussians. We derive a variational-inference-based training objective for gradient-based learning. Additionally, we employ an inducing point approximation which scales inference to large data sets. Furthermore, we develop hybrid Bayesian neural networks that combine standard deep learning components with the proposed model to enable learning for unstructured data. We provide empirical evidence that our model outperforms the competitor methods with respect to both training time and accuracy in classification experiments on 68 structured and two unstructured data sets. Finally, we highlight the key capability of our model in yielding prediction uncertainty for classification by demonstrating its effectiveness in the tasks of large-scale active learning and detection of adversarial images.
Categorical distributions are ubiquitous in machine learning, e.g., in classification, language models, and recommendation systems. However, when the number of possible outcomes is very large, using categorical distributions becomes computationally expensive, as the complexity scales linearly with the number of outcomes. To address this problem, we propose augment and reduce (A&R), a method to alleviate the computational complexity. A&R uses two ideas: latent variable augmentation and stochastic variational inference. It maximizes a lower bound on the marginal likelihood of the data. Unlike existing methods which are specific to softmax, A&R is more general and is amenable to other categorical models, such as multinomial probit. On several large-scale classification problems, we show that A&R provides a tighter bound on the marginal likelihood and has better predictive performance than existing approaches.
Recently there have been increasing interests in learning and inference with implicit distributions (i.e., distributions without tractable densities). To this end, we develop a gradient estimator for implicit distributions based on Stein's identity and a spectral decomposition of kernel operators, where the eigenfunctions are approximated by the Nystr\"om method. Unlike the previous works that only provide estimates at the sample points, our approach directly estimates the gradient function, thus allows for a simple and principled out-of-sample extension. We provide theoretical results on the error bound of the estimator and discuss the bias-variance tradeoff in practice. The effectiveness of our method is demonstrated by applications to gradient-free Hamiltonian Monte Carlo and variational inference with implicit distributions. Finally, we discuss the intuition behind the estimator by drawing connections between the Nystr\"om method and kernel PCA, which indicates that the estimator can automatically adapt to the geometry of the underlying distribution.
Stein variational gradient descent (SVGD) was recently proposed as a general purpose nonparametric variational inference algorithm [Liu & Wang, NIPS 2016]: it minimizes the Kullback-Leibler divergence between the target distribution and its approximation by implementing a form of functional gradient descent on a reproducing kernel Hilbert space. In this paper, we accelerate and generalize the SVGD algorithm by including second-order information, thereby approximating a Newton-like iteration in function space. We also show how second-order information can lead to more effective choices of kernel. We observe significant computational gains over the original SVGD algorithm in multiple test cases.
We investigate the problem of truth discovery based on opinions from multiple agents who may be unreliable or biased. We consider the case where agents' reliabilities or biases are correlated if they belong to the same community, which defines a group of agents with similar opinions regarding a particular event. An agent can belong to different communities for different events, and these communities are unknown a priori. We incorporate knowledge of the agents' social network in our truth discovery framework and develop Laplace variational inference methods to estimate agents' reliabilities, communities, and the event states. We also develop a stochastic variational inference method to scale our model to large social networks. Simulations and experiments on real data suggest that when observations are sparse, our proposed methods perform better than several other inference methods, including majority voting, TruthFinder, AccuSim, the Confidence-Aware Truth Discovery method, the Bayesian Classifier Combination (BCC) method, and the Community BCC method.
Stein variational gradient descent (SVGD) is a recently proposed particle-based Bayesian inference method, which has attracted a lot of interest due to its remarkable approximation ability and particle efficiency compared to traditional variational inference and Markov Chain Monte Carlo methods. However, we observed that particles of SVGD tend to collapse to modes of the target distribution, and this particle degeneracy phenomenon becomes more severe with higher dimensions. Our theoretical analysis finds out that there exists a negative correlation between the dimensionality and the repulsive force of SVGD which should be blamed for this phenomenon. We propose Message Passing SVGD (MP-SVGD) to solve this problem. By leveraging the conditional independence structure of probabilistic graphical models (PGMs), MP-SVGD converts the original high-dimensional global inference problem into a set of local ones over the Markov blanket with lower dimensions. Experimental results show its advantages of preventing vanishing repulsive force in high-dimensional space over SVGD, and its particle efficiency and approximation flexibility over other inference methods on graphical models.
We provide simple schemes to build Bayesian Neural Networks (BNNs), block by block, inspired by a recent idea of computation skeletons. We show how by adjusting the types of blocks that are used within the computation skeleton, we can identify interesting relationships with Deep Gaussian Processes (DGPs), deep kernel learning (DKL), random features type approximation and other topics. We give strategies to approximate the posterior via doubly stochastic variational inference for such models which yield uncertainty estimates. We give a detailed theoretical analysis and point out extensions that may be of independent interest. As a special case, we instantiate our procedure to define a Bayesian {\em additive} Neural network -- a promising strategy to identify statistical interactions and has direct benefits for obtaining interpretable models.
Amortized variational inference (AVI) replaces instance-specific local inference with a global inference network. While AVI has enabled efficient training of deep generative models such as variational autoencoders (VAE), recent empirical work suggests that inference networks can produce suboptimal variational parameters. We propose a hybrid approach, to use AVI to initialize the variational parameters and run stochastic variational inference (SVI) to refine them. Crucially, the local SVI procedure is itself differentiable, so the inference network and generative model can be trained end-to-end with gradient-based optimization. This semi-amortized approach enables the use of rich generative models without experiencing the posterior-collapse phenomenon common in training VAEs for problems like text generation. Experiments show this approach outperforms strong autoregressive and variational baselines on standard text and image datasets.
Learning to infer Bayesian posterior from a few-shot dataset is an important step towards robust meta-learning due to the model uncertainty inherent in the problem. In this paper, we propose a novel Bayesian model-agnostic meta-learning method. The proposed method combines scalable gradient-based meta-learning with nonparametric variational inference in a principled probabilistic framework. During fast adaptation, the method is capable of learning complex uncertainty structure beyond a point estimate or a simple Gaussian approximation. In addition, a robust Bayesian meta-update mechanism with a new meta-loss prevents overfitting during meta-update. Remaining an efficient gradient-based meta-learner, the method is also model-agnostic and simple to implement. Experiment results show the accuracy and robustness of the proposed method in various tasks: sinusoidal regression, image classification, active learning, and reinforcement learning.