Hypothesis testing for graphs has been an important tool in applied research fields for more than two decades, and still remains a challenging problem as one often needs to draw inference from few replicates of large graphs. Recent studies in statistics and learning theory have provided some theoretical insights about such high-dimensional graph testing problems, but the practicality of the developed theoretical methods remains an open question. In this paper, we consider the problem of two-sample testing of large graphs. We demonstrate the practical merits and limitations of existing theoretical tests and their bootstrapped variants. We also propose two new tests based on asymptotic distributions. We show that these tests are computationally less expensive and, in some cases, more reliable than the existing methods.

Object-oriented representations in reinforcement learning have shown promise in transfer learning, with previous research introducing a propositional object-oriented framework that has provably efficient learning bounds with respect to sample complexity. However, this framework has limitations in terms of the classes of tasks it can efficiently learn. In this paper we introduce a novel deictic object-oriented framework that has provably efficient learning bounds and can solve a broader range of tasks. Additionally, we show that this framework is capable of zero-shot transfer of transition dynamics across tasks and demonstrate this empirically for the Taxi and Sokoban domains.

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.

Variational inference is increasingly being addressed with stochastic optimization. In this setting, the gradient's variance plays a crucial role in the optimization procedure, since high variance gradients lead to poor convergence. A popular approach used to reduce gradient's variance involves the use of control variates. Despite the good results obtained, control variates developed for variational inference are typically looked at in isolation. In this paper we clarify the large number of control variates that are available by giving a systematic view of how they are derived. We also present a Bayesian risk minimization framework in which the quality of a procedure for combining control variates is quantified by its effect on optimization convergence rates, which leads to a very simple combination rule. Results show that combining a large number of control variates this way significantly improves the convergence of inference over using the typical gradient estimators or a reduced number of control variates.

An important class of distance metrics proposed for training generative adversarial networks (GANs) is the integral probability metric (IPM), in which the neural net distance captures the practical GAN training via two neural networks. This paper investigates the minimax estimation problem of the neural net distance based on samples drawn from the distributions. We develop the first known minimax lower bound on the estimation error of the neural net distance, and an upper bound tighter than an existing bound on the estimator error for the empirical neural net distance. Our lower and upper bounds match not only in the order of the sample size but also in terms of the norm of the parameter matrices of neural networks, which justifies the empirical neural net distance as a good approximation of the true neural net distance for training GANs in practice.

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 (PWLC) of the optimal value function in this new state space (the belief simplex). This approach has been extended to solving ρ-POMDPs--i.e., for information-oriented criteria--when the reward ρ is convex in . General ρ-POMDPs can also be turned into "fully observable" problems, but with no means to exploit the PWLC property. In this paper, we focus on POMDPs and ρ-POMDPs with λ ρ -Lipschitz reward function, and demonstrate that, for finite horizons, the optimal value function is Lipschitz-continuous. Then, value function approximators are proposed for both upper-and lower-bounding the optimal value function, which are shown to provide uniformly improvable bounds. This allows proposing two algorithms derived from HSVI which are empirically evaluated on various benchmark problems.

Online learning to rank is a sequential decision-making problem where in each round the learning agent chooses a list of items and receives feedback in the form of clicks from the user. Many sample-efficient algorithms have been proposed for this problem that assume a specific click model connecting rankings and user behavior. We propose a generalized click model that encompasses many existing models, including the position-based and cascade models. Our generalization motivates a novel online learning algorithm based on topological sort, which we call TopRank. TopRank is (a) more natural than existing algorithms, (b) has stronger regret guarantees than existing algorithms with comparable generality, (c) has a more insightful proof that leaves the door open to many generalizations, (d) outperforms existing algorithms empirically.

We consider the off-policy estimation problem of estimating the expected reward of a target policy using samples collected by a different behavior policy. Importance sampling (IS) has been a key technique to derive (nearly) unbiased estimators, but is known to suffer from an excessively high variance in long-horizon problems. In the extreme case of in infinite-horizon problems, the variance of an IS-based estimator may even be unbounded. In this paper, we propose a new off-policy estimation method that applies IS directly on the stationary state-visitation distributions to avoid the exploding variance issue faced by existing estimators.Our key contribution is a novel approach to estimating the density ratio of two stationary distributions, with trajectories sampled from only the behavior distribution. We develop a mini-max loss function for the estimation problem, and derive a closed-form solution for the case of RKHS. We support our method with both theoretical and empirical analyses.

Neural models operating over structured spaces such as knowledge graphs require a continuous embedding of the discrete elements of this space (such as entities) as well as the relationships between them. Relational embeddings with high expressivity, however, have high model complexity, making them computationally difficult to train. We propose a new family of embeddings for knowledge graphs that interpolate between a method with high model complexity and one, namely Holographic embeddings (HolE), with low dimensionality and high training efficiency. This interpolation, termed HolEx, is achieved by concatenating several linearly perturbed copies of original HolE. We formally characterize the number of perturbed copies needed to provably recover the full entity-entity or entity-relation interaction matrix, leveraging ideas from Haar wavelets and compressed sensing.

Deep image translation methods have recently shown excellent results, outputting high-quality images covering multiple modes of the data distribution. There has also been increased interest in disentangling the internal representations learned by deep methods to further improve their performance and achieve a finer control. In this paper, we bridge these two objectives and introduce the concept of cross-domain disentanglement. We aim to separate the internal representation into three parts. The shared part contains information for both domains.