This dissertation studies a fundamental open challenge in deep learning theory: why do deep networks generalize well even while being overparameterized, unregularized and fitting the training data to zero error? In the first part of the thesis, we will empirically study how training deep networks via stochastic gradient descent implicitly controls the networks' capacity. Subsequently, to show how this leads to better generalization, we will derive {\em data-dependent} {\em uniform-convergence-based} generalization bounds with improved dependencies on the parameter count. Uniform convergence has in fact been the most widely used tool in deep learning literature, thanks to its simplicity and generality. Given its popularity, in this thesis, we will also take a step back to identify the fundamental limits of uniform convergence as a tool to explain generalization. In particular, we will show that in some example overparameterized settings, {\em any} uniform convergence bound will provide only a vacuous generalization bound. With this realization in mind, in the last part of the thesis, we will change course and introduce an {\em empirical} technique to estimate generalization using unlabeled data. Our technique does not rely on any notion of uniform-convergece-based complexity and is remarkably precise. We will theoretically show why our technique enjoys such precision. We will conclude by discussing how future work could explore novel ways to incorporate distributional assumptions in generalization bounds (such as in the form of unlabeled data) and explore other tools to derive bounds, perhaps by modifying uniform convergence or by developing completely new tools altogether.
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Inspired by recent strides in empirical efficacy of implicit learning in many robotics tasks, we seek to understand the theoretical benefits of implicit formulations in the face of nearly discontinuous functions, common characteristics for systems that make and break contact with the environment such as in legged locomotion and manipulation. We present and motivate three formulations for learning a function: one explicit and two implicit. We derive generalization bounds for each of these three approaches, exposing where explicit and implicit methods alike based on prediction error losses typically fail to produce tight bounds, in contrast to other implicit methods with violation-based loss definitions that can be fundamentally more robust to steep slopes. Furthermore, we demonstrate that this violation implicit loss can tightly bound graph distance, a quantity that often has physical roots and handles noise in inputs and outputs alike, instead of prediction losses which consider output noise only. Our insights into the generalizability and physical relevance of violation implicit formulations match evidence from prior works and are validated through a toy problem, inspired by rigid-contact models and referenced throughout our theoretical analysis.
Inspired by recent strides in empirical efficacy of implicit learning in many robotics tasks, we seek to understand the theoretical benefits of implicit formulations in the face of nearly discontinuous functions, common characteristics for systems that make and break contact with the environment such as in legged locomotion and manipulation. We present and motivate three formulations for learning a function: one explicit and two implicit. We derive generalization bounds for each of these three approaches, exposing where explicit and implicit methods alike based on prediction error losses typically fail to produce tight bounds, in contrast to other implicit methods with violation-based loss definitions that can be fundamentally more robust to steep slopes. Furthermore, we demonstrate that this violation implicit loss can tightly bound graph distance, a quantity that often has physical roots and handles noise in inputs and outputs alike, instead of prediction losses which consider output noise only. Our insights into the generalizability and physical relevance of violation implicit formulations match evidence from prior works and are validated through a toy problem, inspired by rigid-contact models and referenced throughout our theoretical analysis.
Interval analysis (or interval bound propagation, IBP) is a popular technique for verifying and training provably robust deep neural networks, a fundamental challenge in the area of reliable machine learning. However, despite substantial efforts, progress on addressing this key challenge has stagnated, calling into question whether interval arithmetic is a viable path forward. In this paper we present two fundamental results on the limitations of interval arithmetic for analyzing neural networks. Our main impossibility theorem states that for any neural network classifying just three points, there is a valid specification over these points that interval analysis can not prove. Further, in the restricted case of one-hidden-layer neural networks we show a stronger impossibility result: given any radius $\alpha < 1$, there is a set of $O(\alpha^{-1})$ points with robust radius $\alpha$, separated by distance $2$, that no one-hidden-layer network can be proven to classify robustly via interval analysis.
Fine-grained image analysis (FGIA) is a longstanding and fundamental problem in computer vision and pattern recognition, and underpins a diverse set of real-world applications. The task of FGIA targets analyzing visual objects from subordinate categories, e.g., species of birds or models of cars. The small inter-class and large intra-class variation inherent to fine-grained image analysis makes it a challenging problem. Capitalizing on advances in deep learning, in recent years we have witnessed remarkable progress in deep learning powered FGIA. In this paper we present a systematic survey of these advances, where we attempt to re-define and broaden the field of FGIA by consolidating two fundamental fine-grained research areas -- fine-grained image recognition and fine-grained image retrieval. In addition, we also review other key issues of FGIA, such as publicly available benchmark datasets and related domain-specific applications. We conclude by highlighting several research directions and open problems which need further exploration from the community.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.
The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.
Self-training algorithms, which train a model to fit pseudolabels predicted by another previously-learned model, have been very successful for learning with unlabeled data using neural networks. However, the current theoretical understanding of self-training only applies to linear models. This work provides a unified theoretical analysis of self-training with deep networks for semi-supervised learning, unsupervised domain adaptation, and unsupervised learning. At the core of our analysis is a simple but realistic ``expansion'' assumption, which states that a low-probability subset of the data must expand to a neighborhood with large probability relative to the subset. We also assume that neighborhoods of examples in different classes have minimal overlap. We prove that under these assumptions, the minimizers of population objectives based on self-training and input-consistency regularization will achieve high accuracy with respect to ground-truth labels. By using off-the-shelf generalization bounds, we immediately convert this result to sample complexity guarantees for neural nets that are polynomial in the margin and Lipschitzness. Our results help explain the empirical successes of recently proposed self-training algorithms which use input consistency regularization.
This paper surveys the field of transfer learning in the problem setting of Reinforcement Learning (RL). RL has been the key solution to sequential decision-making problems. Along with the fast advance of RL in various domains. including robotics and game-playing, transfer learning arises as an important technique to assist RL by leveraging and transferring external expertise to boost the learning process. In this survey, we review the central issues of transfer learning in the RL domain, providing a systematic categorization of its state-of-the-art techniques. We analyze their goals, methodologies, applications, and the RL frameworks under which these transfer learning techniques would be approachable. We discuss the relationship between transfer learning and other relevant topics from an RL perspective and also explore the potential challenges as well as future development directions for transfer learning in RL.
We present a continuous formulation of machine learning, as a problem in the calculus of variations and differential-integral equations, very much in the spirit of classical numerical analysis and statistical physics. We demonstrate that conventional machine learning models and algorithms, such as the random feature model, the shallow neural network model and the residual neural network model, can all be recovered as particular discretizations of different continuous formulations. We also present examples of new models, such as the flow-based random feature model, and new algorithms, such as the smoothed particle method and spectral method, that arise naturally from this continuous formulation. We discuss how the issues of generalization error and implicit regularization can be studied under this framework.
Deep learning is the mainstream technique for many machine learning tasks, including image recognition, machine translation, speech recognition, and so on. It has outperformed conventional methods in various fields and achieved great successes. Unfortunately, the understanding on how it works remains unclear. It has the central importance to lay down the theoretic foundation for deep learning. In this work, we give a geometric view to understand deep learning: we show that the fundamental principle attributing to the success is the manifold structure in data, namely natural high dimensional data concentrates close to a low-dimensional manifold, deep learning learns the manifold and the probability distribution on it. We further introduce the concepts of rectified linear complexity for deep neural network measuring its learning capability, rectified linear complexity of an embedding manifold describing the difficulty to be learned. Then we show for any deep neural network with fixed architecture, there exists a manifold that cannot be learned by the network. Finally, we propose to apply optimal mass transportation theory to control the probability distribution in the latent space.
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