The Probably Approximately Correct (PAC) Bayes framework (McAllester, 1999) can incorporate knowledge about the learning algorithm and (data) distribution through the use of distribution-dependent priors, yielding tighter generalization bounds on data-dependent posteriors. Using this flexibility, however, is difficult, especially when the data distribution is presumed to be unknown. We show how a differentially private data-dependent prior yields a valid PAC-Bayes bound, and then show how non-private mechanisms for choosing priors can also yield generalization bounds. As an application of this result, we show that a Gaussian prior mean chosen via stochastic gradient Langevin dynamics (SGLD; Welling and Teh, 2011) leads to a valid PAC-Bayes bound due to control of the 2-Wasserstein distance to a differentially private stationary distribution. We study our data-dependent bounds empirically, and show that they can be nonvacuous even when other distribution-dependent bounds are vacuous.

Infants are experts at playing, with an amazing ability to generate novel structured behaviors in unstructured environments that lack clear extrinsic reward signals. We seek to mathematically formalize these abilities using a neural network that implements curiosity-driven intrinsic motivation. Using a simple but ecologically naturalistic simulated environment in which an agent can move and interact with objects it sees, we propose a "world-model" network that learns to predict the dynamic consequences of the agent's actions. Simultaneously, we train a separate explicit "self-model" that allows the agent to track the error map of its world-model. It then uses the self-model to adversarially challenge the developing world-model. We demonstrate that this policy causes the agent to explore novel and informative interactions with its environment, leading to the generation of a spectrum of complex behaviors, including ego-motion prediction, object attention, and object gathering. Moreover, the world-model that the agent learns supports improved performance on object dynamics prediction, detection, localization and recognition tasks. Taken together, our results are initial steps toward creating flexible autonomous agents that self-supervise in realistic physical environments.

Regularized empirical risk minimization problem with linear predictor appears frequently in machine learning. In this paper, we propose a new stochastic primal-dual method to solve this class of problems. Different from existing methods, our proposed methods only require O(1) operations in each iteration. We also develop a variance-reduction variant of the algorithm that converges linearly. Numerical experiments suggest that our methods are faster than existing ones such as proximal SGD, SVRG and SAGA on high-dimensional problems.

In many structured prediction problems, complex relationships between variables are compactly defined using graphical structures. The most prevalent graphical prediction methods---probabilistic graphical models and large margin methods---have their own distinct strengths but also possess significant drawbacks. Conditional random fields (CRFs) are Fisher consistent, but they do not permit integration of customized loss metrics into their learning process. Large-margin models, such as structured support vector machines (SSVMs), have the flexibility to incorporate customized loss metrics, but lack Fisher consistency guarantees. We present adversarial graphical models (AGM), a distributionally robust approach for constructing a predictor that performs robustly for a class of data distributions defined using a graphical structure. Our approach enjoys both the flexibility of incorporating customized loss metrics into its design as well as the statistical guarantee of Fisher consistency. We present exact learning and prediction algorithms for AGM with time complexity similar to existing graphical models and show the practical benefits of our approach with experiments.

Regression with group-sparsity penalty plays a central role in high-dimensional prediction problems. Most of existing methods require the group structure to be known a priori. In practice, this may be a too strong assumption, potentially hampering the effectiveness of the regularization method. To circumvent this issue, we present a method to estimate the group structure by means of a continuous bilevel optimization problem where the data is split into training and validation sets. Our approach relies on an approximation scheme where the lower level problem is replaced by a smooth dual forward-backward algorithm with Bregman distances. We provide guarantees regarding the convergence of the approximate procedure to the exact problem and demonstrate the well behaviour of the proposed method on synthetic experiments. Finally, a preliminary application to genes expression data is tackled with the purpose of unveiling functional groups.

Stochastic Gradient Langevin Dynamics (SGLD) has emerged as a key MCMC algorithm for Bayesian learning from large scale datasets. While SGLD with decreasing step sizes converges weakly to the posterior distribution, the algorithm is often used with a constant step size in practice and has demonstrated spectacular successes in machine learning tasks. The current practice is to set the step size inversely proportional to N where N is the number of training samples. As N becomes large, we show that the SGLD algorithm has an invariant probability measure which significantly departs from the target posterior and behaves like as Stochastic Gradient Descent (SGD). This difference is inherently due to the high variance of the stochastic gradients. Several strategies have been suggested to reduce this effect; among them, SGLD Fixed Point (SGLDFP) uses carefully designed control variates to reduce the variance of the stochastic gradients. We show that SGLDFP gives approximate samples from the posterior distribution, with an accuracy comparable to the Langevin Monte Carlo (LMC) algorithm for a computational cost sublinear in the number of data points. We provide a detailed analysis of the Wasserstein distances between LMC, SGLD, SGLDFP and SGD and explicit expressions of the means and covariance matrices of their invariant distributions. Our findings are supported by limited numerical experiments.

We present a number of novel contributions to the multiple-source adaptation problem. We derive new normalized solutions with strong theoretical guarantees for the cross-entropy loss and other similar losses. We also provide new guarantees that hold in the case where the conditional probabilities for the source domains are distinct. Moreover, we give new algorithms for determining the distribution-weighted combination solution for the cross-entropy loss and other losses. We report the results of a series of experiments with real-world datasets. We find that our algorithm outperforms competing approaches by producing a single robust model that performs well on any target mixture distribution. Altogether, our theory, algorithms, and empirical results provide a full solution for the multiple-source adaptation problem with very practical benefits.

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to the gradient or a large number of likelihood evaluations. We introduce here a novel sample-efficient inference framework, Variational Bayesian Monte Carlo (VBMC). VBMC combines variational inference with Gaussian-process based, active-sampling Bayesian quadrature, using the latter to efficiently approximate the intractable integral in the variational objective. Our method produces both a nonparametric approximation of the posterior distribution and an approximate lower bound of the model evidence, useful for model selection. We demonstrate VBMC both on several synthetic likelihoods and on a neuronal model with data from real neurons. Across all tested problems and dimensions (up to D = 10), VBMC performs consistently well in reconstructing the posterior and the model evidence with a limited budget of likelihood evaluations, unlike other methods that work only in very low dimensions. Our framework shows great promise as a novel tool for posterior and model inference with expensive, black-box likelihoods.

Often, large, high dimensional datasets collected across multiple modalities can be organized as a higher order tensor. Low-rank tensor decomposition then arises as a powerful and widely used tool to discover simple low dimensional structures underlying such data. However, we currently lack a theoretical understanding of the algorithmic behavior of low-rank tensor decompositions. We derive Bayesian approximate message passing (AMP) algorithms for recovering arbitrarily shaped low-rank tensors buried within noise, and we employ dynamic mean field theory to precisely characterize their performance. Our theory reveals the existence of phase transitions between easy, hard and impossible inference regimes, and displays an excellent match with simulations. Moreover, it reveals several qualitative surprises compared to the behavior of symmetric, cubic tensor decomposition. Finally, we compare our AMP algorithm to the most commonly used algorithm, alternating least squares (ALS), and demonstrate that AMP significantly outperforms ALS in the presence of noise.

Variational Auto-Encoders (VAE) 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 (ELBO). Com- bined with stochastic variational inference, this provides a methodology scaling to large datasets. However, for this methodology to be practically efficient, it is neces- sary 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 re-interpreted 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.