Learning Graphical Models
The Plug-in Approach for Average-Reward and Discounted MDPs: Optimal Sample Complexity Analysis
We study the sample complexity of the plug-in approach for learning $\varepsilon$-optimal policies in average-reward Markov decision processes (MDPs) with a generative model. The plug-in approach constructs a model estimate then computes an average-reward optimal policy in the estimated model. Despite representing arguably the simplest algorithm for this problem, the plug-in approach has never been theoretically analyzed. Unlike the more well-studied discounted MDP reduction method, the plug-in approach requires no prior problem information or parameter tuning. Our results fill this gap and address the limitations of prior approaches, as we show that the plug-in approach is optimal in several well-studied settings without using prior knowledge. Specifically it achieves the optimal diameter- and mixing-based sample complexities of $\widetilde{O}\left(SA \frac{D}{\varepsilon^2}\right)$ and $\widetilde{O}\left(SA \frac{\tau_{\mathrm{unif}}}{\varepsilon^2}\right)$, respectively, without knowledge of the diameter $D$ or uniform mixing time $\tau_{\mathrm{unif}}$. We also obtain span-based bounds for the plug-in approach, and complement them with algorithm-specific lower bounds suggesting that they are unimprovable. Our results require novel techniques for analyzing long-horizon problems which may be broadly useful and which also improve results for the discounted plug-in approach, removing effective-horizon-related sample size restrictions and obtaining the first optimal complexity bounds for the full range of sample sizes without reward perturbation.
Learning under Model Misspecification: Applications to Variational and Ensemble methods
Virtually any model we use in machine learning to make predictions does not perfectly represent reality. So, most of the learning happens under model misspecification. In this work, we present a novel analysis of the generalization performance of Bayesian model averaging under model misspecification and i.i.d. This analysis shows, in simple and intuitive terms, that Bayesian model averaging provides suboptimal generalization performance when the model is misspecified. In consequence, we provide strong theoretical arguments showing that Bayesian methods are not optimal for learning predictive models, unless the model class is perfectly specified.
Noise-Contrastive Estimation for Multivariate Point Processes
The log-likelihood of a generative model often involves both positive and negative terms. As a result, maximum likelihood estimation is expensive. We show how to instead apply a version of noise-contrastive estimation---a general parameter estimation method with a less expensive stochastic objective. Our specific instantiation of this general idea works out in an interestingly non-trivial way and has provable guarantees for its optimality, consistency and efficiency. On several synthetic and real-world datasets, our method shows benefits: for the model to achieve the same level of log-likelihood on held-out data, our method needs considerably fewer function evaluations and less wall-clock time.
Learning non-Markovian Decision-Making from State-only Sequences
Conventional imitation learning assumes access to the actions of demonstrators, but these motor signals are often non-observable in naturalistic settings. To address these challenges, we explore deep generative modeling of state-only sequences with non-Markov Decision Process (nMDP), where the policy is an energy-based prior in the latent space of the state transition generator. We develop maximum likelihood estimation to achieve model-based imitation, which involves short-run MCMC sampling from the prior and importance sampling for the posterior. The learned model enables \textit{decision-making as inference}: model-free policy execution is equivalent to prior sampling, model-based planning is posterior sampling initialized from the policy. We demonstrate the efficacy of the proposed method in a prototypical path planning task with non-Markovian constraints and show that the learned model exhibits strong performances in challenging domains from the MuJoCo suite.
FreeAnchor: Learning to Match Anchors for Visual Object Detection
Modern CNN-based object detectors assign anchors for ground-truth objects under the restriction of object-anchor Intersection-over-Unit (IoU). In this study, we propose a learning-to-match approach to break IoU restriction, allowing objects to match anchors in a flexible manner. Our approach, referred to as FreeAnchor, updates hand-crafted anchor assignment to "free" anchor matching by formulating detector training as a maximum likelihood estimation (MLE) procedure. FreeAnchor targets at learning features which best explain a class of objects in terms of both classification and localization. FreeAnchor is implemented by optimizing detection customized likelihood and can be fused with CNN-based detectors in a plug-and-play manner.
Bayesian Deep Learning and a Probabilistic Perspective of Generalization
The key distinguishing property of a Bayesian approach is marginalization, rather than using a single setting of weights. Bayesian marginalization can particularly improve the accuracy and calibration of modern deep neural networks, which are typically underspecified by the data, and can represent many compelling but different solutions. We show that deep ensembles provide an effective mechanism for approximate Bayesian marginalization, and propose a related approach that further improves the predictive distribution by marginalizing within basins of attraction, without significant overhead. We also investigate the prior over functions implied by a vague distribution over neural network weights, explaining the generalization properties of such models from a probabilistic perspective. From this perspective, we explain results that have been presented as mysterious and distinct to neural network generalization, such as the ability to fit images with random labels, and show that these results can be reproduced with Gaussian processes.
Equilibrium and non-Equilibrium regimes in the learning of Restricted Boltzmann Machines
Training Restricted Boltzmann Machines (RBMs) has been challenging for a long time due to the difficulty of computing precisely the log-likelihood gradient. Over the past decades, many works have proposed more or less successful recipes but without studying systematically the crucial quantity of the problem: the mixing time i.e. the number of MCMC iterations needed to sample completely new configurations from a model. In this work, we show that this mixing time plays a crucial role in the behavior and stability of the trained model, and that RBMs operate in two well-defined distinct regimes, namely equilibrium and out-of-equilibrium, depending on the interplay between this mixing time of the model and the number of MCMC steps, k, used to approximate the gradient. We further show empirically that this mixing time increases along the learning, which often implies a transition from one regime to another as soon as k becomes smaller than this time.In particular, we show that using the popular k (persistent) contrastive divergence approaches, with k small, the dynamics of the fitted model are extremely slow and often dominated by strong out-of-equilibrium effects. On the contrary, RBMs trained in equilibrium display much faster dynamics, and a smooth convergence to dataset-like configurations during the sampling.Finally, we discuss how to exploit in practice both regimes depending on the task one aims to fulfill: (i) short k s can be used to generate convincing samples in short learning times, (ii) large k (or increasingly large) must be used to learn the correct equilibrium distribution of the RBM.
On Fenchel Mini-Max Learning
Inference, estimation, sampling and likelihood evaluation are four primary goals of probabilistic modeling. Practical considerations often force modeling approaches to make compromises between these objectives. We present a novel probabilistic learning framework, called Fenchel Mini-Max Learning (FML), that accommodates all four desiderata in a flexible and scalable manner. Our derivation is rooted in classical maximum likelihood estimation, and it overcomes a longstanding challenge that prevents unbiased estimation of unnormalized statistical models. By reformulating MLE as a mini-max game, FML enjoys an unbiased training objective that (i) does not explicitly involve the intractable normalizing constant and (ii) is directly amendable to stochastic gradient descent optimization.
Cause-Effect Inference in Location-Scale Noise Models: Maximum Likelihood vs. Independence Testing
A fundamental problem of causal discovery is cause-effect inference, to learn the correct causal direction between two random variables. Significant progress has been made through modelling the effect as a function of its cause and a noise term, which allows us to leverage assumptions about the generating function class. The recently introduced heteroscedastic location-scale noise functional models (LSNMs) combine expressive power with identifiability guarantees. LSNM model selection based on maximizing likelihood achieves state-of-the-art accuracy, when the noise distributions are correctly specified. However, through an extensive empirical evaluation, we demonstrate that the accuracy deteriorates sharply when the form of the noise distribution is misspecified by the user.
DAGs with No Fears: A Closer Look at Continuous Optimization for Learning Bayesian Networks
This paper re-examines a continuous optimization framework dubbed NOTEARS for learning Bayesian networks. We first generalize existing algebraic characterizations of acyclicity to a class of matrix polynomials. Next, focusing on a one-parameter-per-edge setting, it is shown that the Karush-Kuhn-Tucker (KKT) optimality conditions for the NOTEARS formulation cannot be satisfied except in a trivial case, which explains a behavior of the associated algorithm. We then derive the KKT conditions for an equivalent reformulation, show that they are indeed necessary, and relate them to explicit constraints that certain edges be absent from the graph. If the score function is convex, these KKT conditions are also sufficient for local minimality despite the non-convexity of the constraint.