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 Learning Graphical Models


Learning Energy-Based Prior Model with Diffusion-Amortized MCMC

arXiv.org Machine Learning

Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in the field of generative modeling due to its flexibility in the formulation and strong modeling power of the latent space. However, the common practice of learning latent space EBMs with non-convergent short-run MCMC for prior and posterior sampling is hindering the model from further progress; the degenerate MCMC sampling quality in practice often leads to degraded generation quality and instability in training, especially with highly multi-modal and/or high-dimensional target distributions. To remedy this sampling issue, in this paper we introduce a simple but effective diffusion-based amortization method for long-run MCMC sampling and develop a novel learning algorithm for the latent space EBM based on it. We provide theoretical evidence that the learned amortization of MCMC is a valid long-run MCMC sampler. Experiments on several image modeling benchmark datasets demonstrate the superior performance of our method compared with strong counterparts


Hoeffding's Inequality for Markov Chains under Generalized Concentrability Condition

arXiv.org Machine Learning

This paper studies Hoeffding's inequality for Markov chains under the generalized concentrability condition defined via integral probability metric (IPM). The generalized concentrability condition establishes a framework that interpolates and extends the existing hypotheses of Markov chain Hoeffding-type inequalities. The flexibility of our framework allows Hoeffding's inequality to be applied beyond the ergodic Markov chains in the traditional sense. We demonstrate the utility by applying our framework to several non-asymptotic analyses arising from the field of machine learning, including (i) a generalization bound for empirical risk minimization with Markovian samples, (ii) a finite sample guarantee for Ployak-Ruppert averaging of SGD, and (iii) a new regret bound for rested Markovian bandits with general state space. Keywords: Hoeffding's inequality, Markov chains, Dobrushin coefficient, integral probability metric, concentration of measures, ergodicity, empirical risk minimization, stochastic gradient descent, rested bandit


Beyond Stationarity: Convergence Analysis of Stochastic Softmax Policy Gradient Methods

arXiv.org Machine Learning

Markov Decision Processes (MDPs) are a formal framework for modeling and solving sequential decision-making problems. In finite-time horizons such problems are relevant for instance for optimal stopping or specific supply chain problems, but also in the training of large language models. In contrast to infinite horizon MDPs optimal policies are not stationary, policies must be learned for every single epoch. In practice all parameters are often trained simultaneously, ignoring the inherent structure suggested by dynamic programming. This paper introduces a combination of dynamic programming and policy gradient called dynamic policy gradient, where the parameters are trained backwards in time. For the tabular softmax parametrisation we carry out the convergence analysis for simultaneous and dynamic policy gradient towards global optima, both in the exact and sampled gradient settings without regularisation. It turns out that the use of dynamic policy gradient training much better exploits the structure of finite-time problems which is reflected in improved convergence bounds.


Probabilistic Block Term Decomposition for the Modelling of Higher-Order Arrays

arXiv.org Machine Learning

Tensors or multi-way arrays naturally occur in practically all areas of science including psychology (i.e., human responses to questionnaire data according to scoring criteria of different objects), chemometrics (i.e., excitation and emission spectra across samples), biology (i.e., genetic expression of cell proles across time and experimental conditions), and knowledge representations (i.e., entity-entity relationships across predicates), see also [1] and references therein. To analyze these multi-way arrays accounting for their higher order structure tensor decompositions have become important tools to characterize and discover structure in these data, see [2, 1] for details. Tensor decompositions have historically focused on maximum likelihood estimation methods to obtain a point estimate to decompose the data, most predominately based on Gaussian likelihood (least squares estimation). Recently, there has been a rise in the development of Bayesian inference for tensor data, initially focusing on binary or count data, but now applied more broadly to various types of data, for an overview see [3, 4]. The benets of a Bayesian approach are that it characterizes the decomposition solution as a distribution, the so-called posterior distribution, which allows characterization of the uncertainty whereas priors acts as regularizers adding robustness and preventing issues of degeneracy. Additionally, it provides a principled way to incorporate a priori information. For a review on maximum likelihood based and Bayesian tensor decomposition, see [2] and [3], respectively. The two most common tensor decomposition methods are the Canonical Polyadic Decomposition/PARAFAC (CPD) and Tucker model. The CPD model represents the data through a sum of outer product rank-1 terms (i.e., separate multi-linear structures), whereas Tucker uses a multi-linear rank decomposition (i.e., with "connected" multi-linear structures).



On the Unlikelihood of D-Separation

arXiv.org Artificial Intelligence

Causal discovery aims to recover a causal graph from data generated by it; constraint based methods do so by searching for a d-separating conditioning set of nodes in the graph via an oracle. In this paper, we provide analytic evidence that on large graphs, d-separation is a rare phenomenon, even when guaranteed to exist, unless the graph is extremely sparse. We then provide an analytic average case analysis of the PC Algorithm for causal discovery, as well as a variant of the SGS Algorithm we call UniformSGS. We consider a set $V=\{v_1,\ldots,v_n\}$ of nodes, and generate a random DAG $G=(V,E)$ where $(v_a, v_b) \in E$ with i.i.d. probability $p_1$ if $a b$. We provide upper bounds on the probability that a subset of $V-\{x,y\}$ d-separates $x$ and $y$, conditional on $x$ and $y$ being d-separable; our upper bounds decay exponentially fast to $0$ as $|V| \rightarrow \infty$. For the PC Algorithm, while it is known that its worst-case guarantees fail on non-sparse graphs, we show that the same is true for the average case, and that the sparsity requirement is quite demanding: for good performance, the density must go to $0$ as $|V| \rightarrow \infty$ even in the average case. For UniformSGS, while it is known that the running time is exponential for existing edges, we show that in the average case, that is the expected running time for most non-existing edges as well.


Rollout Heuristics for Online Stochastic Contingent Planning

arXiv.org Artificial Intelligence

Partially observable Markov decision processes (POMDP) are a useful model for decision-making under partial observability and stochastic actions. Partially Observable Monte-Carlo Planning is an online algorithm for deciding on the next action to perform, using a Monte-Carlo tree search approach, based on the UCT (UCB applied to trees) algorithm for fully observable Markov-decision processes. POMCP develops an action-observation tree, and at the leaves, uses a rollout policy to provide a value estimate for the leaf. As such, POMCP is highly dependent on the rollout policy to compute good estimates, and hence identify good actions. Thus, many practitioners who use POMCP are required to create strong, domain-specific heuristics. In this paper, we model POMDPs as stochastic contingent planning problems. This allows us to leverage domain-independent heuristics that were developed in the planning community. We suggest two heuristics, the first is based on the well-known h_add heuristic from classical planning, and the second is computed in belief space, taking the value of information into account.


Learning quantum Hamiltonians at any temperature in polynomial time

arXiv.org Artificial Intelligence

We study the problem of learning a local quantum Hamiltonian $H$ given copies of its Gibbs state $\rho = e^{-\beta H}/\textrm{tr}(e^{-\beta H})$ at a known inverse temperature $\beta>0$. Anshu, Arunachalam, Kuwahara, and Soleimanifar (arXiv:2004.07266) gave an algorithm to learn a Hamiltonian on $n$ qubits to precision $\epsilon$ with only polynomially many copies of the Gibbs state, but which takes exponential time. Obtaining a computationally efficient algorithm has been a major open problem [Alhambra'22 (arXiv:2204.08349)], [Anshu, Arunachalam'22 (arXiv:2204.08349)], with prior work only resolving this in the limited cases of high temperature [Haah, Kothari, Tang'21 (arXiv:2108.04842)] or commuting terms [Anshu, Arunachalam, Kuwahara, Soleimanifar'21]. We fully resolve this problem, giving a polynomial time algorithm for learning $H$ to precision $\epsilon$ from polynomially many copies of the Gibbs state at any constant $\beta > 0$. Our main technical contribution is a new flat polynomial approximation to the exponential function, and a translation between multi-variate scalar polynomials and nested commutators. This enables us to formulate Hamiltonian learning as a polynomial system. We then show that solving a low-degree sum-of-squares relaxation of this polynomial system suffices to accurately learn the Hamiltonian.


Towards a Unified Framework for Sequential Decision Making

arXiv.org Artificial Intelligence

In recent years, the integration of Automated Planning (AP) and Reinforcement Learning (RL) has seen a surge of interest. To perform this integration, a general framework for Sequential Decision Making (SDM) would prove immensely useful, as it would help us understand how AP and RL fit together. In this preliminary work, we attempt to provide such a framework, suitable for any method ranging from Classical Planning to Deep RL, by drawing on concepts from Probability Theory and Bayesian inference. We formulate an SDM task as a set of training and test Markov Decision Processes (MDPs), to account for generalization. We provide a general algorithm for SDM which we hypothesize every SDM method is based on. According to it, every SDM algorithm can be seen as a procedure that iteratively improves its solution estimate by leveraging the task knowledge available. Finally, we derive a set of formulas and algorithms for calculating interesting properties of SDM tasks and methods, which make possible their empirical evaluation and comparison.


Finite-Time Analysis of Whittle Index based Q-Learning for Restless Multi-Armed Bandits with Neural Network Function Approximation

arXiv.org Artificial Intelligence

Whittle index policy is a heuristic to the intractable restless multi-armed bandits (RMAB) problem. Although it is provably asymptotically optimal, finding Whittle indices remains difficult. In this paper, we present Neural-Q-Whittle, a Whittle index based Q-learning algorithm for RMAB with neural network function approximation, which is an example of nonlinear two-timescale stochastic approximation with Q-function values updated on a faster timescale and Whittle indices on a slower timescale. Despite the empirical success of deep Q-learning, the non-asymptotic convergence rate of Neural-Q-Whittle, which couples neural networks with two-timescale Q-learning largely remains unclear. This paper provides a finite-time analysis of Neural-Q-Whittle, where data are generated from a Markov chain, and Q-function is approximated by a ReLU neural network. Our analysis leverages a Lyapunov drift approach to capture the evolution of two coupled parameters, and the nonlinearity in value function approximation further requires us to characterize the approximation error. Combing these provide Neural-Q-Whittle with $\mathcal{O}(1/k^{2/3})$ convergence rate, where $k$ is the number of iterations.