What policy should be employed in a Markov decision process with uncertain parameters? Robust optimization answer to this question is to use rectangular uncertainty sets, which independently reflect available knowledge about each state, and then obtains a decision policy that maximizes expected reward for the worst-case decision process parameters from these uncertainty sets. While this rectangularity is convenient computationally and leads to tractable solutions, it often produces policies that are too conservative in practice, and does not facilitate knowledge transfer between portions of the state space or across related decision processes. In this work, we propose non-rectangular uncertainty sets that bound marginal moments of state-action features defined over entire trajectories through a decision process. This enables generalization to different portions of the state space while retaining appropriate uncertainty of the decision process. We develop algorithms for solving the resulting robust decision problems, which reduce to finding an optimal policy for a mixture of decision processes, and demonstrate the benefits of our approach experimentally.

In many real-world reinforcement learning (RL) problems, besides optimizing the main objective function, an agent must concurrently avoid violating a number of constraints. In particular, besides optimizing performance, it is crucial to guarantee the safety of an agent during training as well as deployment (e.g., a robot should avoid taking actions - exploratory or not - which irrevocably harm its hard- ware). To incorporate safety in RL, we derive algorithms under the framework of constrained Markov decision processes (CMDPs), an extension of the standard Markov decision processes (MDPs) augmented with constraints on expected cumulative costs. Our approach hinges on a novel Lyapunov method. We define and present a method for constructing Lyapunov functions, which provide an effective way to guarantee the global safety of a behavior policy during training via a set of local linear constraints. Leveraging these theoretical underpinnings, we show how to use the Lyapunov approach to systematically transform dynamic programming (DP) and RL algorithms into their safe counterparts. To illustrate their effectiveness, we evaluate these algorithms in several CMDP planning and decision-making tasks on a safety benchmark domain. Our results show that our proposed method significantly outperforms existing baselines in balancing constraint satisfaction and performance.

Expectation-Maximization (EM) is a popular tool for learning latent variable models, but the vanilla batch EM does not scale to large data sets because the whole data set is needed at every E-step. Stochastic Expectation Maximization (sEM) reduces the cost of E-step by stochastic approximation. However, sEM has a slower asymptotic convergence rate than batch EM, and requires a decreasing sequence of step sizes, which is difficult to tune. In this paper, we propose a variance reduced stochastic EM (sEM-vr) algorithm inspired by variance reduced stochastic gradient descent algorithms. We show that sEM-vr has the same exponential asymptotic convergence rate as batch EM. Moreover, sEM-vr only requires a constant step size to achieve this rate, which alleviates the burden of parameter tuning. We compare sEM-vr with batch EM, sEM and other algorithms on Gaussian mixture models and probabilistic latent semantic analysis, and sEM-vr converges significantly faster than these baselines.

At their core, many unsupervised learning models provide a compact representation of homogeneous density mixtures, but their similarities and differences are not always clearly understood. In this work, we formally establish the relationships among latent tree graphical models (including special cases such as hidden Markov models and tensorial mixture models), hierarchical tensor formats and sum-product networks. Based on this connection, we then give a unified treatment of exponential separation in \emph{exact} representation size between deep mixture architectures and shallow ones. In contrast, for \emph{approximate} representation, we show that the conditional gradient algorithm can approximate any homogeneous mixture within $\epsilon$ accuracy by combining $O(1/\epsilon^2)$ ``shallow'' architectures, where the hidden constant may decrease (exponentially) with respect to the depth. Our experiments on both synthetic and real datasets confirm the benefits of depth in density estimation.

Implicit feedback is widely used in collaborative filtering methods for recommendation. It is well known that implicit feedback contains a large number of values that are \emph{missing not at random} (MNAR); and the missing data is a mixture of negative and unknown feedback, making it difficult to learn user's negative preferences. Recent studies modeled \emph{exposure}, a latent missingness variable which indicates whether an item is missing to a user, to give each missing entry a confidence of being negative feedback. However, these studies use static models and ignore the information in temporal dependencies among items, which seems to be a essential underlying factor to subsequent missingness. To model and exploit the dynamics of missingness, we propose a latent variable named ``\emph{user intent}'' to govern the temporal changes of item missingness, and a hidden Markov model to represent such a process. The resulting framework captures the dynamic item missingness and incorporate it into matrix factorization (MF) for recommendation. We also explore two types of constraints to achieve a more compact and interpretable representation of \emph{user intents}. Experiments on real-world datasets demonstrate the superiority of our method against state-of-the-art recommender systems.

A conjugate Gamma-Poisson model for Dynamic Matrix Factorization incorporated with metadata influence (mGDMF for short) is proposed to effectively and efficiently model massive, sparse and dynamic data in recommendations. Modeling recommendation problems with a massive number of ratings and very sparse or even no ratings on some users/items in a dynamic setting is very demanding and poses critical challenges to well-studied matrix factorization models due to the large-scale, sparse and dynamic nature of the data. Our proposed mGDMF tackles these challenges by introducing three strategies: (1) constructing a stable Gamma-Markov chain model that smoothly drifts over time by combining both static and dynamic latent features of data; (2) incorporating the user/item metadata into the model to tackle sparse ratings; and (3) undertaking stochastic variational inference to efficiently handle massive data. mGDMF is conjugate, dynamic and scalable. Experiments show that mGDMF significantly (both effectively and efficiently) outperforms the state-of-the-art static and dynamic models on large, sparse and dynamic data.

Boltzmann machines (BMs) are appealing candidates for powerful priors in variational autoencoders (VAEs), as they are capable of capturing nontrivial and multi-modal distributions over discrete variables. However, non-differentiability of the discrete units prohibits using the reparameterization trick, essential for low-noise back propagation. The Gumbel trick resolves this problem in a consistent way by relaxing the variables and distributions, but it is incompatible with BM priors. Here, we propose the GumBolt, a model that extends the Gumbel trick to BM priors in VAEs. GumBolt is significantly simpler than the recently proposed methods with BM prior and outperforms them by a considerable margin. It achieves state-of-the-art performance on permutation invariant MNIST and OMNIGLOT datasets in the scope of models with only discrete latent variables. Moreover, the performance can be further improved by allowing multi-sampled (importance-weighted) estimation of log-likelihood in training, which was not possible with previous models.

We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a probabilistic encoder that maps from high-dimensional configuration space to a small-sized vector indicating the membership to metastable (long-lived) states, (ii) a Markov chain that governs the transitions between metastable states and facilitates analysis of the long-time dynamics, and (iii) a generative part that samples the conditional distribution of configurations in the next time step. The model can be operated in a recursive fashion to generate trajectories to predict the system evolution from a defined starting state and propose new configurations. The DeepGenMSM is demonstrated to provide accurate estimates of the long-time kinetics and generate valid distributions for molecular dynamics (MD) benchmark systems. Remarkably, we show that DeepGenMSMs are able to make long time-steps in molecular configuration space and generate physically realistic structures in regions that were not seen in training data.

We present a unified framework to analyze the global convergence of Langevin dynamics based algorithms for nonconvex finite-sum optimization with $n$ component functions. At the core of our analysis is a direct analysis of the ergodicity of the numerical approximations to Langevin dynamics, which leads to faster convergence rates. Specifically, we show that gradient Langevin dynamics (GLD) and stochastic gradient Langevin dynamics (SGLD) converge to the \textit{almost minimizer}\footnote{Following \citet{raginsky2017non}, an almost minimizer is defined to be a point which is within the ball of the global minimizer with radius $O(d\log(\beta+1)/\beta)$, where $d$ is the problem dimension and $\beta$ is the inverse temperature parameter.} within $\tilde O\big(nd/(\lambda\epsilon) \big)$\footnote{$\tilde O(\cdot)$ notation hides polynomials of logarithmic terms and constants.} and $\tilde O\big(d^7/(\lambda^5\epsilon^5) \big)$ stochastic gradient evaluations respectively, where $d$ is the problem dimension, and $\lambda$ is the spectral gap of the Markov chain generated by GLD. Both results improve upon the best known gradient complexity\footnote{Gradient complexity is defined as the total number of stochastic gradient evaluations of an algorithm, which is the number of stochastic gradients calculated per iteration times the total number of iterations.} results \citep{raginsky2017non}. Furthermore, for the first time we prove the global convergence guarantee for variance reduced stochastic gradient Langevin dynamics (VR-SGLD) to the almost minimizer within $\tilde O\big(\sqrt{n}d^5/(\lambda^4\epsilon^{5/2})\big)$ stochastic gradient evaluations, which outperforms the gradient complexities of GLD and SGLD in a wide regime. Our theoretical analyses shed some light on using Langevin dynamics based algorithms for nonconvex optimization with provable guarantees.

We propose Differentiable Satisfiability and Differentiable Answer Set Programming (Differentiable SAT/ASP) for multi-model optimization. Models (answer sets or satisfying truth assignments) are sampled using a novel SAT/ASP solving approach which uses a gradient descent-based branching mechanism. Sampling proceeds until the value of a user-defined multi-model cost function reaches a given threshold. As major use cases for our approach we propose distribution-aware model sampling and expressive yet scalable probabilistic logic programming. As our main algorithmic approach to Differentiable SAT/ASP, we introduce an enhancement of the state-of-the-art CDNL/CDCL algorithm for SAT/ASP solving. Additionally, we present alternative algorithms which use an unmodified ASP solver (Clingo/clasp) and map the optimization task to conventional answer set optimization or use so-called propagators. We also report on the open source software DelSAT,a recent prototype implementation of our main algorithm, and on initial experimental results which indicate that DelSAT's performance is, when applied to the use case of probabilistic logic inference, on par with Markov Logic Network (MLN) inference performance, despite having advantageous properties compared to MLNs, such as the ability to express inductive definitions and to work with probabilities as weights directly in all cases. Our experiments also indicate that our main algorithm is strongly superior in terms of performance compared to the presented alternative approaches which reduce a common instance of the general problem to regular SAT/ASP.