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Knowledge distillation has been widely-used to improve the performance of a "student" network by hoping to mimic soft probabilities of a "teacher" network. Yet, for self-distillation to work, the student must somehow deviate from the teacher (Stanton et al., 2021). But what is the nature of these deviations, and how do they relate to gains in generalization? We investigate these questions through a series of experiments across image and language classification datasets. First, we observe that distillation consistently deviates in a characteristic way: on points where the teacher has low confidence, the student achieves even lower confidence than the teacher. Secondly, we find that deviations in the initial dynamics of training are not crucial -- simply switching to distillation loss in the middle of training can recover much of its gains. We then provide two parallel theoretical perspectives to understand the role of student-teacher deviations in our experiments, one casting distillation as a regularizer in eigenspace, and another as a gradient denoiser. Our analysis bridges several gaps between existing theory and practice by (a) focusing on gradient-descent training, (b) by avoiding label noise assumptions, and (c) by unifying several disjoint empirical and theoretical findings.

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g. a neural network) by fitting the model's residuals with a $k$-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. Empirically, we show that ResMem consistently improves the test set generalization of the original prediction model across various standard vision and natural language processing benchmarks. Theoretically, we formulate a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over the base predictor.

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., arXiv admin note: text overlap with arXiv:1902.04742

We empirically show that the test error of deep networks can be estimated by simply training the same architecture on the same training set but with a different run of Stochastic Gradient Descent (SGD), and measuring the disagreement rate between the two networks on unlabeled test data. This builds on -- and is a stronger version of -- the observation in Nakkiran & Bansal '20, which requires the second run to be on an altogether fresh training set. We further theoretically show that this peculiar phenomenon arises from the \emph{well-calibrated} nature of \emph{ensembles} of SGD-trained models. This finding not only provides a simple empirical measure to directly predict the test error using unlabeled test data, but also establishes a new conceptual connection between generalization and calibration.

A key challenge in applying reinforcement learning to safety-critical domains is understanding how to balance exploration (needed to attain good performance on the task) with safety (needed to avoid catastrophic failure). Although a growing line of work in reinforcement learning has investigated this area of "safe exploration," most existing techniques either 1) do not guarantee safety during the actual exploration process; and/or 2) limit the problem to a priori known and/or deterministic transition dynamics with strong smoothness assumptions. Addressing this gap, we propose Analogous Safe-state Exploration (ASE), an algorithm for provably safe exploration in MDPs with unknown, stochastic dynamics. Our method exploits analogies between state-action pairs to safely learn a near-optimal policy in a PAC-MDP sense. Additionally, ASE also guides exploration towards the most task-relevant states, which empirically results in significant improvements in terms of sample efficiency, when compared to existing methods., Comment: 10 pages, 3 figures, In proceedings of the 24th International Conference on Artificial Intelligence and Statistics (AISTATS) 2021

The ability of overparameterized deep networks to generalize well has been linked to the fact that stochastic gradient descent (SGD) finds solutions that lie in flat, wide minima in the training loss -- minima where the output of the network is resilient to small random noise added to its parameters. So far this observation has been used to provide generalization guarantees only for neural networks whose parameters are either \textit{stochastic} or \textit{compressed}. In this work, we present a general PAC-Bayesian framework that leverages this observation to provide a bound on the original network learned -- a network that is deterministic and uncompressed. What enables us to do this is a key novelty in our approach: our framework allows us to show that if on training data, the interactions between the weight matrices satisfy certain conditions that imply a wide training loss minimum, these conditions themselves {\em generalize} to the interactions between the matrices on test data, thereby implying a wide test loss minimum. We then apply our general framework in a setup where we assume that the pre-activation values of the network are not too small (although we assume this only on the training data). In this setup, we provide a generalization guarantee for the original (deterministic, uncompressed) network, that does not scale with product of the spectral norms of the weight matrices -- a guarantee that would not have been possible with prior approaches., Published as a conference paper at ICLR 2019

Why does training deep neural networks using stochastic gradient descent (SGD) result in a generalization error that does not worsen with the number of parameters in the network? To answer this question, we advocate a notion of effective model capacity that is dependent on {\em a given random initialization of the network} and not just the training algorithm and the data distribution. We provide empirical evidences that demonstrate that the model capacity of SGD-trained deep networks is in fact restricted through implicit regularization of {\em the $\ell_2$ distance from the initialization}. We also provide theoretical arguments that further highlight the need for initialization-dependent notions of model capacity. We leave as open questions how and why distance from initialization is regularized, and whether it is sufficient to explain generalization., Spotlight paper at NeurIPS 2017 workshop on Deep Learning: Bridging Theory and Practice

Despite the growing prominence of generative adversarial networks (GANs), optimization in GANs is still a poorly understood topic. In this paper, we analyze the "gradient descent" form of GAN optimization i.e., the natural setting where we simultaneously take small gradient steps in both generator and discriminator parameters. We show that even though GAN optimization does not correspond to a convex-concave game (even for simple parameterizations), under proper conditions, equilibrium points of this optimization procedure are still \emph{locally asymptotically stable} for the traditional GAN formulation. On the other hand, we show that the recently proposed Wasserstein GAN can have non-convergent limit cycles near equilibrium. Motivated by this stability analysis, we propose an additional regularization term for gradient descent GAN updates, which \emph{is} able to guarantee local stability for both the WGAN and the traditional GAN, and also shows practical promise in speeding up convergence and addressing mode collapse.

Max-cut, clustering, and many other partitioning problems that are of significant importance to machine learning and other scientific fields are NP-hard, a reality that has motivated researchers to develop a wealth of approximation algorithms and heuristics. Although the best algorithm to use typically depends on the specific application domain, a worst-case analysis is often used to compare algorithms. This may be misleading if worst-case instances occur infrequently, and thus there is a demand for optimization methods which return the algorithm configuration best suited for the given application's typical inputs. We address this problem for clustering, max-cut, and other partitioning problems, such as integer quadratic programming, by designing computationally efficient and sample efficient learning algorithms which receive samples from an application-specific distribution over problem instances and learn a partitioning algorithm with high expected performance. Our algorithms learn over common integer quadratic programming and clustering algorithm families: SDP rounding algorithms and agglomerative clustering algorithms with dynamic programming. For our sample complexity analysis, we provide tight bounds on the pseudodimension of these algorithm classes, and show that surprisingly, even for classes of algorithms parameterized by a single parameter, the pseudo-dimension is superconstant. In this way, our work both contributes to the foundations of algorithm configuration and pushes the boundaries of learning theory, since the algorithm classes we analyze consist of multi-stage optimization procedures and are significantly more complex than classes typically studied in learning theory.