Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling. Reversible generative models use cheaply invertible neural networks to transform samples from a fixed base distribution. Examples include NICE (Dinh et al., 2014), Real NVP (Dinh et al., 2017), and Glow (Kingma & Dhariwal, 2018).

Many deep learning algorithms can be easily fooled with simple adversarial examples. To address the limitations of existing defenses, we devised a probabilistic framework that can generate an exponentially large ensemble of models from a single model with just a linear cost. This framework takes advantage of neural network depth and stochastically decides whether or not to insert noise removal operators such as VAEs between layers. We show empirically the important role that model gradients have when it comes to determining transferability of adversarial examples, and take advantage of this result to demonstrate that it is possible to train models with limited adversarial attack transferability. Additionally, we propose a detection method based on metric learning in order to detect adversarial examples that have no hope of being cleaned of maliciously engineered noise.

Recommender systems can be formulated as a matrix completion problem, predicting ratings from user and item parameter vectors. Optimizing these parameters by subsampling data becomes difficult as the number of users and items grows. We develop a novel approach to generate all latent variables on demand from the ratings matrix itself and a fixed pool of parameters. We estimate missing ratings using chains of evidence that link them to a small set of prototypical users and items. Our model automatically addresses the cold-start and online learning problems by combining information across both users and items. We investigate the scaling behavior of this model, and demonstrate competitive results with respect to current matrix factorization techniques in terms of accuracy and convergence speed.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a blackbox differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Variational Bayesian neural nets combine the flexibility of deep learning with Bayesian uncertainty estimation. Unfortunately, there is a tradeoff between cheap but simple variational families (e.g.~fully factorized) or expensive and complicated inference procedures. We show that natural gradient ascent with adaptive weight noise implicitly fits a variational posterior to maximize the evidence lower bound (ELBO). This insight allows us to train full-covariance, fully factorized, or matrix-variate Gaussian variational posteriors using noisy versions of natural gradient, Adam, and K-FAC, respectively, making it possible to scale up to modern-size ConvNets. On standard regression benchmarks, our noisy K-FAC algorithm makes better predictions and matches Hamiltonian Monte Carlo's predictive variances better than existing methods. Its improved uncertainty estimates lead to more efficient exploration in active learning, and intrinsic motivation for reinforcement learning.

Amortized inference allows latent-variable models trained via variational learning to scale to large datasets. The quality of approximate inference is determined by two factors: a) the capacity of the variational distribution to match the true posterior and b) the ability of the recognition network to produce good variational parameters for each datapoint. We examine approximate inference in variational autoencoders in terms of these factors. We find that divergence from the true posterior is often due to imperfect recognition networks, rather than the limited complexity of the approximating distribution. We show that this is due partly to the generator learning to accommodate the choice of approximation. Furthermore, we show that the parameters used to increase the expressiveness of the approximation play a role in generalizing inference rather than simply improving the complexity of the approximation.

We decompose the evidence lower bound to show the existence of a term measuring the total correlation between latent variables. We use this to motivate our $\beta$-TCVAE (Total Correlation Variational Autoencoder), a refinement of the state-of-the-art $\beta$-VAE objective for learning disentangled representations, requiring no additional hyperparameters during training. We further propose a principled classifier-free measure of disentanglement called the mutual information gap (MIG). We perform extensive quantitative and qualitative experiments, in both restricted and non-restricted settings, and show a strong relation between total correlation and disentanglement, when the latent variables model is trained using our framework.

We propose generative neural network methods to generate DNA sequences and tune them to have desired properties. We present three approaches: creating synthetic DNA sequences using a generative adversarial network; a DNA-based variant of the activation maximization ("deep dream") design method; and a joint procedure which combines these two approaches together. We show that these tools capture important structures of the data and, when applied to designing probes for protein binding microarrays, allow us to generate new sequences whose properties are estimated to be superior to those found in the training data. We believe that these results open the door for applying deep generative models to advance genomics research.

We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with neural network observation models. For inference, we extend variational autoencoders to use graphical model approximating distributions with recognition networks that output conjugate potentials. All components of these models are learned simultaneously with a single objective, giving a scalable algorithm that leverages stochastic variational inference, natural gradients, graphical model message passing, and the reparameterization trick. We illustrate this framework with several example models and an application to mouse behavioral phenotyping.

We propose a simple and general variant of the standard reparameterized gradient estimator for the variational evidence lower bound. Specifically, we remove a part of the total derivative with respect to the variational parameters that corresponds to the score function. Removing this term produces an unbiased gradient estimator whose variance approaches zero as the approximate posterior approaches the exact posterior. We analyze the behavior of this gradient estimator theoretically and empirically, and generalize it to more complex variational distributions such as mixtures and importance-weighted posteriors.