Authors: Max Schölpple, Liu Fanghui, Ingo Steinwart
Organizations: Institute for Stochastics and Applications, University of Stuttgart · School of Mathematical Sciences, Institute of Natural Sciences and MOE-LSC, Shanghai Jiao Tong University
We introduce a general framework for analyzing learning algorithms based on the notion of self-regularization, which captures implicit complexity control without requiring explicit regularization. This is motivated by previous observations that many algorithms, such as gradient-descent based learning, exhibit implicit regularization. In a nutshell, for a self-regularized algorithm the complexity of the predictor is inherently controlled by that of the simplest comparator achieving the same empirical risk. This framework is sufficiently rich to cover both classical regularized empirical risk minimization and gradient descent. Building on self-regularization, we provide a thorough statistical analysis of such algorithms including minmax-optimal rates, where it suffices to show that the algorithm is self-regularized -- all further requirements stem from the learning problem itself. Finally, we discuss the problem of data-dependent hyperparameter selection, providing a general result which yields minmax-optimal rates up to a double logarithmic factor and covers data-driven early stopping for RKHS-based gradient descent.
A fundamental problem in machine learning is understanding the effect of early stopping on the parameters obtained and the generalization capabilities of the model. Even for linear models, the effect is not fully understood for arbitrary learning rates and data. In this paper, we analyze the dynamics of discrete full batch gradient descent for linear regression. With minimal distributional assumptions, we characterize the trajectory of the parameters and the expected excess risk. Using this characterization, we show that when training with any learning rate schedule and finite time horizon, the early stopped solution is equivalent to the minimum norm solution for a generalized ridge regression problem. We also prove that early stopping is beneficial for generic data with arbitrary spectrum and for a wide variety of learning rate schedules. We provide an estimate for the optimal stopping time and empirically demonstrate the accuracy of our estimate.
Rishi Sonthalia, Jackie Lok, Elizaveta Rebrova
Department of Mathematics, Boston College · ORFE Department, Princeton University
Deep learning systems are known to exhibit implicit regularization (alt. implicit bias), favoring simple solutions instead of merely minimizing the loss function. In some cases, we can analytically derive the implicit regularization -- connecting it to an equivalent penalty that augments the learning objective. However, modern deep learning systems are complex, carrying modifications to the training procedure and architecture (e.g. early stopping, minibatching, dropout) whose effects are not always directly interpretable. Although estimating the resulting implicit regularization could aid theorists in algorithm design and practitioners in interpreting their hyperparameter choices, this problem has received little direct attention. It is also tractable: regularization makes weight updates deviate from loss gradients, promising a signal for identifying implicit bias. Here we provide gradient matching methods that can be used to empirically estimate the implicit regularization. Our method works on networks with known regularization, recovering popular explicit penalties like ℓ1 and ℓ2. It also replicates known implicit effects, like the quadratic weight penalty induced by early stopping in gradient descent, demonstrating that it can be used to test theories of implicit regularization. Crucially, because our method is empirical, it can handle implicit regularization in arbitrary networks. We demonstrate this use by characterizing the effects of dropout in deep networks, showing implicit ℓ2 effects in this popular method. Our work shows that practitioners can use gradient matching to understand regularization in networks with implicit biases that are too complicated to derive analytically.
Random feature methods provide a scalable approximation to kernel ridge regression (KRR), but the regularization parameter that yields the oracle learning rate depends on unknown smoothness and capacity parameters. In this work, we propose a neighboring early-stopping rule for adaptive regularization in KRR with random features (KRR-RF). The method uses a grid that is uniform in inverse regularization and compares only adjacent estimators, reducing the number of discrepancy comparisons relative to standard all-pairs Lepskii-type procedures. Both the neighboring discrepancy and its empirical complexity term can be computed directly in the random feature space, without constructing the exact kernel Gram matrix. We establish a high-probability comparison bound for neighboring KRR-RF estimators and show that, under standard source and capacity conditions together with suitable grid and random feature budget conditions, the selected estimator attains the oracle polynomial learning rate up to logarithmic factors. The result allows the regularization parameter to be selected without prior knowledge of the source and capacity exponents and covers both well-specified and partially misspecified regimes. Our analysis is based on an empirical random feature effective dimension that connects the observable stopping threshold with the population complexity of the random feature model. Simulation and real-data experiments illustrate the prediction performance and computational behavior of the proposed method in comparison with standard tuning procedures.
Caixing Wang, Zhibo Chen, Yue Wang
School of Statistics and Data Science, Southeast University · Faculty of Business for Science and Technology, School of Management, University of Science and Technology of China