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Generalization Bounds: Perspectives from Information Theory and PAC-Bayes (2309.04381v2)

Published 8 Sep 2023 in cs.LG, cs.AI, cs.IT, math.IT, math.ST, stat.ML, and stat.TH

Abstract: 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 PAC-Bayesian and information-theoretic generalization bounds. 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.

Citations (24)

Summary

  • The paper demonstrates that combining information theory and PAC-Bayes yields tight error bounds in machine learning.
  • It introduces conditional mutual information to refine bounds and enhance the predictability of model generalization.
  • The work provides a unified framework supporting the development of algorithms with robust theoretical guarantees.

Generalization Bounds: Perspectives from Information Theory and PAC-Bayes

The paper "Generalization Bounds: Perspectives from Information Theory and PAC-Bayes" offers a comprehensive exploration of the theoretical underpinnings of generalization in machine learning, with a particular focus on the convergence of information theory and PAC-Bayesian approaches. This work elucidates how these frameworks can be used to both interpret and bound the generalization error of learning algorithms. The discussion spans various technical results, involving probabilistic inequalities, information measures, and statistical learning considerations, thereby providing researchers with a well-rounded understanding of current advancements and methodologies in theoretical machine learning.

Overview of Generalization

Generalization in machine learning is the ability of an algorithm to perform well on unseen data. The crux of the problem lies in understanding and bounding the difference between a model's performance on the training data and its performance on new, unseen data. Two major strands have emerged in tackling this issue: information-theoretic methods, which leverage concepts like mutual information and entropy, and PAC-Bayes methods, which involve a Bayesian-style analysis of learning algorithms.

Information-Theoretic Approaches

The information-theoretic perspective on generalization considers the mutual information between the training data and the model parameters. This viewpoint originates from the classic Shannon’s information theory, where mutual information is interpreted as the reduction in uncertainty about one random variable given knowledge of another. In the domain of learning algorithms, this variance translates into an upper bound on the difference between training and test errors. Notably, the paper discusses how these methods can derive bounds that are particularly relevant for understanding the complexity and learnability of the model.

For instance, the notion of conditional mutual information (CMI) is introduced as a way to refine generalization bounds by focusing only on the information that is truly relevant for the learning process. This helps in scenarios where mutual information might naturally blow up, such as when continuous models are developed based on finite sample data.

PAC-Bayesian Framework

Parallel to information-theoretic methods, the PAC-Bayesian approach provides another lens through which to assess generalization. PAC-Bayes combines the probabilistic guarantees of PAC (Probably Approximately Correct) learning with the Bayesian framework’s flexibility in handling uncertainty. The bounds derived in this framework often provide guarantees on the expected generalization error with high probability, allowing for a probabilistic interpretation of learning performance. A pivotal result discussed is how PAC-Bayesian bounds uniformly hold across all possible datasets and model hypotheses, thereby providing robust guarantees even in small sample sizes.

Unified Treatment and Implications

The convergence of information theory and PAC-Bayesian methods under a unified theoretical framework offers significant insights. The paper discusses several key advances in which these seemingly separate approaches address different facets of generalization and learning. For example, results like Donsker-Varadhan’s variational representation bridge the gap between information measures and generalization error estimates, elucidating how information-theoretic quantities such as relative entropy can quantifiably predict learning stability and efficiency.

Practical and Theoretical Implications

The theoretical insights derived using these methodologies present far-reaching implications. Practically, they offer a foundation for developing new algorithms with inbuilt guarantees on their ability to generalize, especially for models like deep neural networks which often operate on the edge of large datasets with complex structures. Theoretically, they provide a rigorous framework supporting further exploration into how sub-symbolic computation models (such as neural networks) manage to generalize successfully, notwithstanding their complexity and the potential for overfitting.

Future Directions

The exploration posited by this paper paves the way for future research. One promising direction is the extension of current bounds to non-IID settings and developing methodologies to deal with biased data distributions effectively. Another avenue is advancing adaptive learning algorithms that inherently account for and minimize generalization error based on real-time data feeding simulations, thereby offering potential improvements in AI safety and reliability.

In conclusion, the paper provides a broad yet insightful survey of generalization bounds in machine learning through the dual lenses of information theory and PAC-Bayesian approaches. It highlights the delicate balance between algorithmic complexity, probabilistic assurance, and empirical performance, casting a spotlight on the fundamental theory necessary for advancing machine learning’s capability to learn from and adapt to the myriad of data environments it encounters.