Tighter risk certificates for neural networks

This paper presents an empirical study regarding training probabilistic neural networks using training objectives derived from PAC-Bayes bounds. In the context of probabilistic neural networks, the output of training is a probability distribution over network weights. We present two training objectives, used here for the first time in connection with training neural networks. These two training objectives are derived from tight PAC-Bayes bounds. We also re-implement a previously used training objective based on a classical PAC-Bayes bound, to compare the properties of the predictors learned using the different training objectives. We compute risk certificates that are valid on any unseen examples for the learnt predictors. We further experiment with different types of priors on the weights (both data-free and data-dependent priors) and neural network architectures. Our experiments on MNIST and CIFAR-10 show that our training methods produce competitive test set errors and non-vacuous risk bounds with much tighter values than previous results in the literature, showing promise not only to guide the learning algorithm through bounding the risk but also for model selection. These observations suggest that the methods studied here might be good candidates for self-certified learning, in the sense of certifying the risk on any unseen data without the need for data-splitting protocols.Comment: Preprint under revie

Tighter risk certificates for neural networks

This paper presents an empirical study regarding training probabilistic neural networks using training objectives derived from PAC-Bayes bounds. In the context of probabilistic neural networks, the output of training is a probability distribution over network weights. We present two training objectives, used here for the first time in connection with training neural networks. These two training objectives are derived from tight PAC-Bayes bounds. We also re-implement a previously used training objective based on a classical PAC-Bayes bound, to compare the properties of the predictors learned using the different training objectives. We compute risk certificates for the learnt predictors, based on part of the data used to learn the predictors. We further experiment with different types of priors on the weights (both data-free and data-dependent priors) and neural network architectures. Our experiments on MNIST and CIFAR-10 show that our training methods produce competitive test set errors and non-vacuous risk bounds with much tighter values than previous results in the literature, showing promise not only to guide the learning algorithm through bounding the risk but also for model selection. These observations suggest that the methods studied here might be good candidates for self-certified learning, in the sense of using the whole data set for learning a predictor and certifying its risk on any unseen data (from the same distribution as the training data) potentially without the need for holding out test data

Stronger Generalization Guarantees for Robot Learning by Combining Generative Models and Real-World Data

We are motivated by the problem of learning policies for robotic systems with rich sensory inputs (e.g., vision) in a manner that allows us to guarantee generalization to environments unseen during training. We provide a framework for providing such generalization guarantees by leveraging a finite dataset of real-world environments in combination with a (potentially inaccurate) generative model of environments. The key idea behind our approach is to utilize the generative model in order to implicitly specify a prior over policies. This prior is updated using the real-world dataset of environments by minimizing an upper bound on the expected cost across novel environments derived via Probably Approximately Correct (PAC)-Bayes generalization theory. We demonstrate our approach on two simulated systems with nonlinear/hybrid dynamics and rich sensing modalities: (i) quadrotor navigation with an onboard vision sensor, and (ii) grasping objects using a depth sensor. Comparisons with prior work demonstrate the ability of our approach to obtain stronger generalization guarantees by utilizing generative models. We also present hardware experiments for validating our bounds for the grasping task

Still no free lunches: the price to pay for tighter PAC-Bayes bounds

“No free lunch” results state the impossibility of obtaining meaningful bounds on the error of a learning algorithm without prior assumptions and modelling, which is more or less realistic for a given problem. Some models are “expensive” (strong assumptions, such as sub-Gaussian tails), others are “cheap” (simply finite variance). As it is well known, the more you pay, the more you get: in other words, the most expensive models yield the more interesting bounds. Recent advances in robust statistics have investigated procedures to obtain tight bounds while keeping the cost of assumptions minimal. The present paper explores and exhibits what the limits are for obtaining tight probably approximately correct (PAC)-Bayes bounds in a robust setting for cheap models

On Certified Generalization in Structured Prediction

In structured prediction, target objects have rich internal structure which does not factorize into independent components and violates common i.i.d. assumptions. This challenge becomes apparent through the exponentially large output space in applications such as image segmentation or scene graph generation. We present a novel PAC-Bayesian risk bound for structured prediction wherein the rate of generalization scales not only with the number of structured examples but also with their size. The underlying assumption, conforming to ongoing research on generative models, is that data are generated by the Knothe-Rosenblatt rearrangement of a factorizing reference measure. This allows to explicitly distill the structure between random output variables into a Wasserstein dependency matrix. Our work makes a preliminary step towards leveraging powerful generative models to establish generalization bounds for discriminative downstream tasks in the challenging setting of structured prediction

Wide stochastic networks: Gaussian limit and PAC-Bayesian training

The limit of infinite width allows for substantial simplifications in the analytical study of overparameterized neural networks. With a suitable random initialization, an extremely large network is well approximated by a Gaussian process, both before and during training. In the present work, we establish a similar result for a simple stochastic architecture whose parameters are random variables. The explicit evaluation of the output distribution allows for a PAC-Bayesian training procedure that directly optimizes the generalization bound. For a large but finite-width network, we show empirically on MNIST that this training approach can outperform standard PAC-Bayesian methods.Comment: 20 pages, 2 figure

PAC-Bayes Bounds for Bandit Problems: A Survey and Experimental Comparison

PAC-Bayes has recently re-emerged as an effective theory with which one can derive principled learning algorithms with tight performance guarantees. However, applications of PAC-Bayes to bandit problems are relatively rare, which is a great misfortune. Many decision-making problems in healthcare, finance and natural sciences can be modelled as bandit problems. In many of these applications, principled algorithms with strong performance guarantees would be very much appreciated. This survey provides an overview of PAC-Bayes bounds for bandit problems and an experimental comparison of these bounds. On the one hand, we found that PAC-Bayes bounds are a useful tool for designing offline bandit algorithms with performance guarantees. In our experiments, a PAC-Bayesian offline contextual bandit algorithm was able to learn randomised neural network polices with competitive expected reward and non-vacuous performance guarantees. On the other hand, the PAC-Bayesian online bandit algorithms that we tested had loose cumulative regret bounds. We conclude by discussing some topics for future work on PAC-Bayesian bandit algorithms.Comment: 32 pages, 8 figure

Generalization Bounds: Perspectives from Information Theory and PAC-Bayes

A fundamental question in theoretical machine learning is generalization. Over the past decades, the PAC-Bayesian approach has been established as a flexible framework to address the generalization capabilities of machine learning algorithms, and design new ones. Recently, it has garnered increased interest due to its potential applicability for a variety of learning algorithms, including deep neural networks. In parallel, an information-theoretic view of generalization has developed, wherein the relation between generalization and various information measures has been established. This framework is intimately connected to the PAC-Bayesian approach, and a number of results have been independently discovered in both strands. In this monograph, we highlight this strong connection and present a unified treatment of generalization. We present techniques and results that the two perspectives have in common, and discuss the approaches and interpretations that differ. In particular, we demonstrate how many proofs in the area share a modular structure, through which the underlying ideas can be intuited. We pay special attention to the conditional mutual information (CMI) framework; analytical studies of the information complexity of learning algorithms; and the application of the proposed methods to deep learning. This monograph is intended to provide a comprehensive introduction to information-theoretic generalization bounds and their connection to PAC-Bayes, serving as a foundation from which the most recent developments are accessible. It is aimed broadly towards researchers with an interest in generalization and theoretical machine learning.Comment: 222 page