Stochastic gradient methods are the workhorse (algorithms) of large-scale optimization problems in machine learning, signal processing, and other computational sciences and engineering. This paper studies Markov chain gradient descent, a variant of stochastic gradient descent where the random samples are taken on the trajectory of a Markov chain. Existing results of this method assume convex objectives and a reversible Markov chain and thus have their limitations. We establish new non-ergodic convergence under wider step sizes, for nonconvex problems, and for non-reversible finite-state Markov chains. Nonconvexity makes our method applicable to broader problem classes. Non-reversible finite-state Markov chains, on the other hand, can mix substatially faster. To obtain these results, we introduce a new technique that varies the mixing levels of the Markov chains. The reported numerical results validate our contributions.

Entropy estimation is one of the prototypical problems in distribution property testing. To consistently estimate the Shannon entropy of a distribution on $S$ elements with independent samples, the optimal sample complexity scales sublinearly with $S$ as $\Theta(\frac{S}{\log S})$ as shown by Valiant and Valiant \cite{Valiant--Valiant2011}. Extending the theory and algorithms for entropy estimation to dependent data, this paper considers the problem of estimating the entropy rate of a stationary reversible Markov chain with $S$ states from a sample path of $n$ observations. We show that \begin{itemize} \item Provided the Markov chain mixes not too slowly, \textit{i.e.}, the relaxation time is at most $O(\frac{S}{\ln^3 S})$, consistent estimation is achievable when $n \gg \frac{S^2}{\log S}$. \item Provided the Markov chain has some slight dependency, \textit{i.e.}, the relaxation time is at least $1+\Omega(\frac{\ln^2 S}{\sqrt{S}})$, consistent estimation is impossible when $n \lesssim \frac{S^2}{\log S}$. \end{itemize} Under both assumptions, the optimal estimation accuracy is shown to be $\Theta(\frac{S^2}{n \log S})$. In comparison, the empirical entropy rate requires at least $\Omega(S^2)$ samples to be consistent, even when the Markov chain is memoryless. In addition to synthetic experiments, we also apply the estimators that achieve the optimal sample complexity to estimate the entropy rate of the English language in the Penn Treebank and the Google One Billion Words corpora, which provides a natural benchmark for language modeling and relates it directly to the widely used perplexity measure.

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.

For many classic structured prediction problems, probability distributions over the dependent variables can be efficiently computed using widely-known algorithms and data structures (such as forward-backward, and its corresponding trellis for exact probability distributions in Markov models). However, we know of no previous work studying efficient representations of exact distributions over clusterings. This paper presents definitions and proofs for a dynamic-programming inference procedure that computes the partition function, the marginal probability of a cluster, and the MAP clustering---all exactly. Rather than the Nth Bell number, these exact solutions take time and space proportional to the substantially smaller powerset of N. Indeed, we improve upon the time complexity of the algorithm introduced by Kohonen and Corander (2016) for this problem by a factor of N. While still large, this previously unknown result is intellectually interesting in its own right, makes feasible exact inference for important real-world small data applications (such as medicine), and provides a natural stepping stone towards sparse-trellis approximations that enable further scalability (which we also explore). In experiments, we demonstrate the superiority of our approach over approximate methods in analyzing real-world gene expression data used in cancer treatment.

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.

We propose a Bayesian decision making framework for control of Markov Decision Processes (MDPs) with unknown dynamics and large, possibly continuous, state, action, and parameter spaces in data-poor environments. Most of the existing adaptive controllers for MDPs with unknown dynamics are based on the reinforcement learning framework and rely on large data sets acquired by sustained direct interaction with the system or via a simulator. This is not feasible in many applications, due to ethical, economic, and physical constraints. The proposed framework addresses the data poverty issue by decomposing the problem into an offline planning stage that does not rely on sustained direct interaction with the system or simulator and an online execution stage. In the offline process, parallel Gaussian process temporal difference (GPTD) learning techniques are employed for near-optimal Bayesian approximation of the expected discounted reward over a sample drawn from the prior distribution of unknown parameters. In the online stage, the action with the maximum expected return with respect to the posterior distribution of the parameters is selected. This is achieved by an approximation of the posterior distribution using a Markov Chain Monte Carlo (MCMC) algorithm, followed by constructing multiple Gaussian processes over the parameter space for efficient prediction of the means of the expected return at the MCMC sample. The effectiveness of the proposed framework is demonstrated using a simple dynamical system model with continuous state and action spaces, as well as a more complex model for a metastatic melanoma gene regulatory network observed through noisy synthetic gene expression data.

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 thesafety of an agent during training as well as deployment (e.g., a robot should avoid taking actions - exploratory or not - which irrevocably harm its hardware). Toincorporate 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 wayto 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 satisfactionand 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.

Monte-Carlo Tree Search (MCTS) has been successfully applied to very large POMDPs, a standard model for stochastic sequential decision-making problems. However, many real-world problems inherently have multiple goals, where multi-objective formulations are more natural. The constrained POMDP (CPOMDP) is such a model that maximizes the reward while constraining the cost, extending the standard POMDP model. To date, solution methods for CPOMDPs assume an explicit model of the environment, and thus are hardly applicable to large-scale real-world problems. In this paper, we present CC-POMCP (Cost-Constrained POMCP), an online MCTS algorithm for large CPOMDPs that leverages the optimization of LP-induced parameters and only requires a black-box simulator of the environment. In the experiments, we demonstrate that CC-POMCP converges to the optimal stochastic action selection in CPOMDP and pushes the state-of-the-art by being able to scale to very large problems.

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.