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 Learning Graphical Models


Regret Bounds for Information-Directed Reinforcement Learning

Neural Information Processing Systems

Information-directed sampling (IDS) has revealed its potential as a data-efficient algorithm for reinforcement learning (RL). However, theoretical understanding of IDS for Markov Decision Processes (MDPs) is still limited. We develop novel information-theoretic tools to bound the information ratio and cumulative information gain about the learning target. Our theoretical results shed light on the importance of choosing the learning target such that the practitioners can balance the computation and regret bounds. As a consequence, we derive prior-free Bayesian regret bounds for vanilla-IDS which learns the whole environment under tabular finite-horizon MDPs.


Variational Gaussian processes for linear inverse problems

Neural Information Processing Systems

By now Bayesian methods are routinely used in practice for solving inverse problems. In inverse problems the parameter or signal of interest is observed only indirectly, as an image of a given map, and the observations are typically further corrupted with noise. Bayes offers a natural way to regularize these problems via the prior distribution and provides a probabilistic solution, quantifying the remaining uncertainty in the problem. However, the computational costs of standard, sampling based Bayesian approaches can be overly large in such complex models. Therefore, in practice variational Bayes is becoming increasingly popular. Nevertheless, the theoretical understanding of these methods is still relatively limited, especially in context of inverse problems.In our analysis we investigate variational Bayesian methods for Gaussian process priors to solve linear inverse problems.


Learning Energy-based Model via Dual-MCMC Teaching

Neural Information Processing Systems

This paper studies the fundamental learning problem of the energy-based model (EBM). Learning the EBM can be achieved using the maximum likelihood estimation (MLE), which typically involves the Markov Chain Monte Carlo (MCMC) sampling, such as the Langevin dynamics. However, the noise-initialized Langevin dynamics can be challenging in practice and hard to mix. This motivates the exploration of joint training with the generator model where the generator model serves as a complementary model to bypass MCMC sampling. However, such a method can be less accurate than the MCMC and result in biased EBM learning.


The best of both worlds: stochastic and adversarial episodic MDPs with unknown transition

Neural Information Processing Systems

We consider the best-of-both-worlds problem for learning an episodic Markov Decision Process through T episodes, with the goal of achieving \widetilde{\mathcal{O}}(\sqrt{T}) regret when the losses are adversarial and simultaneously \mathcal{O}(\log T) regret when the losses are (almost) stochastic. Recent work by [Jin and Luo, 2020] achieves this goal when the fixed transition is known, and leaves the case of unknown transition as a major open question. In this work, we resolve this open problem by using the same Follow-the-Regularized-Leader (FTRL) framework together with a set of new techniques. Specifically, we first propose a loss-shifting trick in the FTRL analysis, which greatly simplifies the approach of [Jin and Luo, 2020] and already improves their results for the known transition case. Then, we extend this idea to the unknown transition case and develop a novel analysis which upper bounds the transition estimation error by the regret itself in the stochastic setting, a key property to ensure \mathcal{O}(\log T) regret.


Hedging as Reward Augmentation in Probabilistic Graphical Models

Neural Information Processing Systems

We argue that hedging is an activity that human and machine agents should engage in more broadly, even when the agent's value is not necessarily in monetary units. In this paper, we propose a decision-theoretic view of hedging based on augmenting a probabilistic graphical model -- specifically a Bayesian network or an influence diagram -- with a reward. Hedging is therefore posed as a particular kind of graph manipulation, and can be viewed as analogous to control/intervention and information gathering related analysis. Effective hedging occurs when a risk-averse agent finds opportunity to balance uncertain rewards in their current situation. We illustrate the concepts with examples and counter-examples, and conduct experiments to demonstrate the properties and applicability of the proposed computational tools that enable agents to proactively identify potential hedging opportunities in real-world situations.


On the Consistency of Maximum Likelihood Estimation of Probabilistic Principal Component Analysis

Neural Information Processing Systems

Probabilistic principal component analysis (PPCA) is currently one of the most used statistical tools to reduce the ambient dimension of the data. From multidimensional scaling to the imputation of missing data, PPCA has a broad spectrum of applications ranging from science and engineering to quantitative finance.\Despite In fact, it is well known that the maximum likelihood estimation (MLE) can only recover the true model parameters up to a rotation. The main obstruction is posed by the inherent identifiability nature of the PPCA model resulting from the rotational symmetry of the parameterization. To resolve this ambiguity, we propose a novel approach using quotient topological spaces and in particular, we show that the maximum likelihood solution is consistent in an appropriate quotient Euclidean space.


Nested Variational Inference

Neural Information Processing Systems

We develop nested variational inference (NVI), a family of methods that learn proposals for nested importance samplers by minimizing an forward or reverse KL divergence at each level of nesting. NVI is applicable to many commonly-used importance sampling strategies and provides a mechanism for learning intermediate densities, which can serve as heuristics to guide the sampler. Our experiments apply NVI to (a) sample from a multimodal distribution using a learned annealing path (b) learn heuristics that approximate the likelihood of future observations in a hidden Markov model and (c) to perform amortized inference in hierarchical deep generative models. We observe that optimizing nested objectives leads to improved sample quality in terms of log average weight and effective sample size.


Reliable Causal Discovery with Improved Exact Search and Weaker Assumptions

Neural Information Processing Systems

Many of the causal discovery methods rely on the faithfulness assumption to guarantee asymptotic correctness. However, the assumption can be approximately violated in many ways, leading to sub-optimal solutions. Although there is a line of research in Bayesian network structure learning that focuses on weakening the assumption, such as exact search methods with well-defined score functions, they do not scale well to large graphs. In this work, we introduce several strategies to improve the scalability of exact score-based methods in the linear Gaussian setting. In particular, we develop a super-structure estimation method based on the support of inverse covariance matrix which requires assumptions that are strictly weaker than faithfulness, and apply it to restrict the search space of exact search.


NodeFormer: A Scalable Graph Structure Learning Transformer for Node Classification

Neural Information Processing Systems

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge incompleteness and particularly, the absence of graphs altogether. While a plausible solution is to learn new adaptive topology for message passing, issues concerning quadratic complexity hinder simultaneous guarantees for scalability and precision in large networks. In this paper, we introduce a novel all-pair message passing scheme for efficiently propagating node signals between arbitrary nodes, as an important building block for a new class of Transformer networks for node classification on large graphs, dubbed as NodeFormer. Specifically, the efficient computation is enabled by a kernerlized Gumbel-Softmax operator that reduces the algorithmic complexity to linearity w.r.t.


First Hitting Diffusion Models for Generating Manifold, Graph and Categorical Data

Neural Information Processing Systems

We propose a family of First Hitting Diffusion Models (FHDM), deep generative models that generate data with a diffusion process that terminates at a random first hitting time. This yields an extension of the standard fixed-time diffusion models that terminate at a pre-specified deterministic time. Although standard diffusion models are designed for continuous unconstrained data, FHDM is naturally designed to learn distributions on continuous as well as a range of discrete and structure domains. Moreover, FHDM enables instance-dependent terminate time and accelerates the diffusion process to sample higher quality data with fewer diffusion steps. Technically, we train FHDM by maximum likelihood estimation on diffusion trajectories augmented from observed data with conditional first hitting processes (i.e., bridge) derived based on Doob's h -transform, deviating from the commonly used time-reversal mechanism.