When used as a surrogate objective for maximum likelihood estimation in latent variable models, the evidence lower bound (ELBO) produces state-of-the-art results. Inspired by this, we consider the extension of the ELBO to a family of lower bounds defined by a particle filter's estimator of the marginal likelihood, the filtering variational objectives (FIVOs). FIVOs take the same arguments as the ELBO, but can exploit a model's sequential structure to form tighter bounds. We present results that relate the tightness of FIVO's bound to the variance of the particle filter's estimator by considering the generic case of bounds defined as log-transformed likelihood estimators. Experimentally, we show that training with FIVO results in substantial improvements over training the same model architecture with the ELBO on sequential data.

Learning the directed acyclic graph (DAG) structure of a Bayesian network from observational data is a notoriously difficult problem for which many non-identifiability and hardness results are known. In this paper we propose a provably polynomial-time algorithm for learning sparse Gaussian Bayesian networks with equal noise variance --- a class of Bayesian networks for which the DAG structure can be uniquely identified from observational data --- under high-dimensional settings. We show that $O(k^4 \log p)$ number of samples suffices for our method to recover the true DAG structure with high probability, where $p$ is the number of variables and $k$ is the maximum Markov blanket size. We obtain our theoretical guarantees under a condition called \emph{restricted strong adjacency faithfulness} (RSAF), which is strictly weaker than strong faithfulness --- a condition that other methods based on conditional independence testing need for their success. The sample complexity of our method matches the information-theoretic limits in terms of the dependence on $p$. We validate our theoretical findings through synthetic experiments.

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs, which learn a distribution over weights, are currently the state-of-the-art for estimating predictive uncertainty; however these require significant modifications to the training procedure and are computationally expensive compared to standard (non-Bayesian) NNs. We propose an alternative to Bayesian NNs that is simple to implement, readily parallelizable, requires very little hyperparameter tuning, and yields high quality predictive uncertainty estimates. Through a series of experiments on classification and regression benchmarks, we demonstrate that our method produces well-calibrated uncertainty estimates which are as good or better than approximate Bayesian NNs. To assess robustness to dataset shift, we evaluate the predictive uncertainty on test examples from known and unknown distributions, and show that our method is able to express higher uncertainty on out-of-distribution examples. We demonstrate the scalability of our method by evaluating predictive uncertainty estimates on ImageNet.

Variational autoencoders (VAEs) learn representations of data by jointly training a probabilistic encoder and decoder network. Typically these models encode all features of the data into a single variable. Here we are interested in learning disentangled representations that encode distinct aspects of the data into separate variables. We propose to learn such representations using model architectures that generalise from standard VAEs, employing a general graphical model structure in the encoder and decoder. This allows us to train partially-specified models that make relatively strong assumptions about a subset of interpretable variables and rely on the flexibility of neural networks to learn representations for the remaining variables. We further define a general objective for semi-supervised learning in this model class, which can be approximated using an importance sampling procedure. We evaluate our framework's ability to learn disentangled representations, both by qualitative exploration of its generative capacity, and quantitative evaluation of its discriminative ability on a variety of models and datasets.

Learning directed acyclic graphs using both observational and interventional data is now a fundamentally important problem due to recent technological developments in genomics that generate such single-cell gene expression data at a very large scale. In order to utilize this data for learning gene regulatory networks, efficient and reliable causal inference algorithms are needed that can make use of both observational and interventional data. In this paper, we present two algorithms of this type and prove that both are consistent under the faithfulness assumption. These algorithms are interventional adaptations of the Greedy SP algorithm and are the first algorithms using both observational and interventional data with consistency guarantees. Moreover, these algorithms have the advantage that they are nonparametric, which makes them useful also for analyzing non-Gaussian data. In this paper, we present these two algorithms and their consistency guarantees, and we analyze their performance on simulated data, protein signaling data, and single-cell gene expression data.

Tandem mass spectrometry (MS/MS) is a high-throughput technology used to identify the proteins in a complex biological sample, such as a drop of blood. A collection of spectra is generated at the output of the process, each spectrum of which is representative of a peptide (protein subsequence) present in the original complex sample. In this work, we leverage the log-likelihood gradients of generative modelsto improve the identification of such spectra. In particular, we show that the gradient of a recently proposed dynamic Bayesian network (DBN) [7] may be naturally employed by a kernel-based discriminative classifier. The resulting Fisher kernel substantially improves upon recent attempts to combine generative and discriminative models for post-processing analysis, outperforming all other methods on the evaluated datasets. We extend the improved accuracy offered by the Fisher kernel framework to other search algorithms by introducing Theseus, a DBN representing a large number of widely used MS/MS scoring functions. Furthermore, with gradient ascent and max-product inference at hand, we use Theseus to learn model parameters without any supervision.

Implicit probabilistic models are a flexible class of models defined by a simulation process for data. They form the basis for models which encompass our understanding of the physical word. Despite this fundamental nature, the use of implicit models remains limited due to challenge in positing complex latent structure in them, and the ability to inference in such models with large data sets. In this paper, we first introduce the hierarchical implicit models (HIMs). HIMs combine the idea of implicit densities with hierarchical Bayesian modeling thereby defining models via simulators of data with rich hidden structure. Next, we develop likelihood-free variational inference (LFVI), a scalable variational inference algorithm for HIMs. Key to LFVI is specifying a variational family that is also implicit. This matches the model's flexibility and allows for accurate approximation of the posterior. We demonstrate diverse applications: a large-scale physical simulator for predator-prey populations in ecology; a Bayesian generative adversarial network for discrete data; and a deep implicit model for symbol generation.

This paper presents a probabilistic-graphical model that can be used to infer characteristics of instantaneous brain activity by jointly analyzing spatial and temporal dependencies observed in electroencephalograms (EEG). Specifically, we describe a factor-graph-based model with customized factor-functions defined based on domain knowledge, to infer pathologic brain activity with the goal of identifying seizure-generating brain regions in epilepsy patients. We utilize an inference technique based on the graph-cut algorithm to exactly solve graph inference in polynomial time. We validate the model by using clinically collected intracranial EEG data from 29 epilepsy patients to show that the model correctly identifies seizure-generating brain regions. Our results indicate that our model outperforms two conventional approaches used for seizure-onset localization (5-7% better AUC: 0.72, 0.67, 0.65) and that the proposed inference technique provides 3-10% gain in AUC (0.72, 0.62, 0.69) compared to sampling-based alternatives.

Bayesian models are established as one of the main successful paradigms for complex problems in machine learning. To handle intractable inference, research in this area has developed new approximation methods that are fast and effective. However, theoretical analysis of the performance of such approximations is not well developed. The paper furthers such analysis by providing bounds on the excess risk of variational inference algorithms and related regularized loss minimization algorithms for a large class of latent variable models with Gaussian latent variables. We strengthen previous results for variational algorithms by showing they are competitive with any point-estimate predictor. Unlike previous work, we also provide bounds on the risk of the \emph{Bayesian} predictor and not just the risk of the Gibbs predictor for the same approximate posterior. The bounds are applied in complex models including sparse Gaussian processes and correlated topic models. Theoretical results are complemented by identifying novel approximations to the Bayesian objective that attempt to minimize the risk directly. An empirical evaluation compares the variational and new algorithms shedding further light on their performance.

Directed latent variable models that formulate the joint distribution as $p(x,z) = p(z) p(x \mid z)$ have the advantage of fast and exact sampling. However, these models have the weakness of needing to specify $p(z)$, often with a simple fixed prior that limits the expressiveness of the model. Undirected latent variable models discard the requirement that $p(z)$ be specified with a prior, yet sampling from them generally requires an iterative procedure such as blocked Gibbs-sampling that may require many steps to draw samples from the joint distribution $p(x, z)$. We propose a novel approach to learning the joint distribution between the data and a latent code which uses an adversarially learned iterative procedure to gradually refine the joint distribution, $p(x, z)$, to better match with the data distribution on each step. GibbsNet is the best of both worlds both in theory and in practice. Achieving the speed and simplicity of a directed latent variable model, it is guaranteed (assuming the adversarial game reaches the virtual training criteria global minimum) to produce samples from $p(x, z)$ with only a few sampling iterations. Achieving the expressiveness and flexibility of an undirected latent variable model, GibbsNet does away with the need for an explicit $p(z)$ and has the ability to do attribute prediction, class-conditional generation, and joint image-attribute modeling in a single model which is not trained for any of these specific tasks. We show empirically that GibbsNet is able to learn a more complex $p(z)$ and show that this leads to improved inpainting and iterative refinement of $p(x, z)$ for dozens of steps and stable generation without collapse for thousands of steps, despite being trained on only a few steps.