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.

This paper considers a number of related inverse filtering problems for hidden Markov models (HMMs).

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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.

Many state-of-the-art algorithms for solving Partially Observable Markov Decision Processes (POMDPs) rely on turning the problem into a "fully observable" problem--a belief MDP--and exploiting the piece-wise linearity and convexity

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"shallow" architectures, where the hidden constant may decrease (exponentially) with respect to the depth.

Our algorithm termed deterministic schedule PSRL (DS-PSRL) is efficient in terms of time, sample, and space complexity. We prove a Bayesian regret bound under mild assumptions. Our result is more generally applicable to multiple parameters and continuous state action problems. We compare our algorithm with state-of-the-art PSRL algorithms on standard discrete and continuous problems from the literature.

As a case study, we present such a system that learns to parse Newtonian physics problems in textbooks.

However, sEM has a slow asymptotic convergence rate due to the high variance of each update.