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Implicit Regularization in Matrix Factorization

Suriya Gunasekar, Blake E. Woodworth, Srinadh Bhojanapalli, Behnam Neyshabur, Nati Srebro

Neural Information Processing Systems

This generalization ability cannot be explained by the capacity of the explicitly specified model class (namely, the functions representable in the chosen architecture). Instead, it seems that the optimization algorithm biases us toward a "simple" model, minimizing


Catastrophic Overfitting, Entropy Gap and Participation Ratio: A Noiseless $l^p$ Norm Solution for Fast Adversarial Training

Mehouachi, Fares B., Jabari, Saif Eddin

arXiv.org Artificial Intelligence

Adversarial training is a cornerstone of robust deep learning, but fast methods like the Fast Gradient Sign Method (FGSM) often suffer from Catastrophic Overfitting (CO), where models become robust to single-step attacks but fail against multi-step variants. While existing solutions rely on noise injection, regularization, or gradient clipping, we propose a novel solution that purely controls the $l^p$ training norm to mitigate CO. Our study is motivated by the empirical observation that CO is more prevalent under the $l^{\infty}$ norm than the $l^2$ norm. Leveraging this insight, we develop a framework for generalized $l^p$ attack as a fixed point problem and craft $l^p$-FGSM attacks to understand the transition mechanics from $l^2$ to $l^{\infty}$. This leads to our core insight: CO emerges when highly concentrated gradients where information localizes in few dimensions interact with aggressive norm constraints. By quantifying gradient concentration through Participation Ratio and entropy measures, we develop an adaptive $l^p$-FGSM that automatically tunes the training norm based on gradient information. Extensive experiments demonstrate that this approach achieves strong robustness without requiring additional regularization or noise injection, providing a novel and theoretically-principled pathway to mitigate the CO problem.


Implicit Regularization in Matrix Factorization

Neural Information Processing Systems

We study implicit regularization when optimizing an underdetermined quadratic objective over a matrix X with gradient descent on a factorization of X. We conjecture and provide empirical and theoretical evidence that with small enough step sizes and initialization close enough to the origin, gradient descent on a full dimensional factorization converges to the minimum nuclear norm solution.


On the Role of Initialization on the Implicit Bias in Deep Linear Networks

Gruber, Oria, Avron, Haim

arXiv.org Artificial Intelligence

Despite Deep Learning's (DL) empirical success, our theoretical understanding of its efficacy remains limited. One notable paradox is that while conventional wisdom discourages perfect data fitting, deep neural networks are designed to do just that, yet they generalize effectively. This study focuses on exploring this phenomenon attributed to the implicit bias at play. Various sources of implicit bias have been identified, such as step size, weight initialization, optimization algorithm, and number of parameters. In this work, we focus on investigating the implicit bias originating from weight initialization. To this end, we examine the problem of solving underdetermined linear systems in various contexts, scrutinizing the impact of initialization on the implicit regularization when using deep networks to solve such systems. Our findings elucidate the role of initialization in the optimization and generalization paradoxes, contributing to a more comprehensive understanding of DL's performance characteristics.


Understanding the double descent curve in Machine Learning

Sa-Couto, Luis, Ramos, Jose Miguel, Almeida, Miguel, Wichert, Andreas

arXiv.org Artificial Intelligence

The theory of bias-variance used to serve as a guide for model selection when applying Machine Learning algorithms. However, modern practice has shown success with over-parameterized models that were expected to overfit but did not. This led to the proposal of the double descent curve of performance by Belkin et al. Although it seems to describe a real, representative phenomenon, the field is lacking a fundamental theoretical understanding of what is happening, what are the consequences for model selection and when is double descent expected to occur. In this paper we develop a principled understanding of the phenomenon, and sketch answers to these important questions. Furthermore, we report real experimental results that are correctly predicted by our proposed hypothesis.


Do Deeper Convolutional Networks Perform Better?

Nichani, Eshaan, Radhakrishnan, Adityanarayanan, Uhler, Caroline

arXiv.org Machine Learning

Over-parameterization is a recent topic of much interest in the machine learning community. While over-parameterized neural networks are capable of perfectly fitting (interpolating) training data, these networks often perform well on test data, thereby contradicting classical learning theory. Recent work provided an explanation for this phenomenon by introducing the double descent curve, showing that increasing model capacity past the interpolation threshold can lead to a decrease in test error. In line with this, it was recently shown empirically and theoretically that increasing neural network capacity through width leads to double descent. In this work, we analyze the effect of increasing depth on test performance. In contrast to what is observed for increasing width, we demonstrate through a variety of classification experiments on CIFAR10 and ImageNet32 using ResNets and fully-convolutional networks that test performance worsens beyond a critical depth. We posit an explanation for this phenomenon by drawing intuition from the principle of minimum norm solutions in linear networks.


For interpolating kernel machines, minimizing the norm of the ERM solution minimizes stability

Rangamani, Akshay, Rosasco, Lorenzo, Poggio, Tomaso

arXiv.org Machine Learning

We study the average $\mbox{CV}_{loo}$ stability of kernel ridge-less regression and derive corresponding risk bounds. We show that the interpolating solution with minimum norm minimizes a bound on $\mbox{CV}_{loo}$ stability, which in turn is controlled by the condition number of the empirical kernel matrix. The latter can be characterized in the asymptotic regime where both the dimension and cardinality of the data go to infinity. Under the assumption of random kernel matrices, the corresponding test error should be expected to follow a double descent curve.


Implicit Regularization of Normalization Methods

Wu, Xiaoxia, Dobriban, Edgar, Ren, Tongzheng, Wu, Shanshan, Li, Zhiyuan, Gunasekar, Suriya, Ward, Rachel, Liu, Qiang

arXiv.org Machine Learning

Normalization methods such as batch normalization are commonly used in overparametrized models like neural networks. Here, we study the weight normalization (WN) method (Salimans & Kingma, 2016) and a variant called reparametrized projected gradient descent (rPGD) for overparametrized least squares regression and some more general loss functions. WN and rPGD reparametrize the weights with a scale $g$ and a unit vector such that the objective function becomes \emph{non-convex}. We show that this non-convex formulation has beneficial regularization effects compared to gradient descent on the original objective. We show that these methods adaptively regularize the weights and \emph{converge with exponential rate} to the minimum $\ell_2$ norm solution (or close to it) even for initializations \emph{far from zero}. This is different from the behavior of gradient descent, which only converges to the min norm solution when started at zero, and is more sensitive to initialization. Some of our proof techniques are different from many related works; for instance we find explicit invariants along the gradient flow paths. We verify our results experimentally and suggest that there may be a similar phenomenon for nonlinear problems such as matrix sensing.


Kernel and Deep Regimes in Overparametrized Models

Woodworth, Blake, Gunasekar, Suriya, Lee, Jason, Soudry, Daniel, Srebro, Nathan

arXiv.org Machine Learning

A recent line of work studies overparametrized neural networks in the ``kernel regime,'' i.e.~when the network behaves during training as a kernelized linear predictor, and thus training with gradient descent has the effect of finding the minimum RKHS norm solution. This stands in contrast to other studies which demonstrate how gradient descent on overparametrized multilayer networks can induce rich implicit biases that are not RKHS norms. Building on an observation by Chizat and Bach, we show how the scale of the initialization controls the transition between the ``kernel'' (aka lazy) and ``deep'' (aka active) regimes and affects generalization properties in multilayer homogeneous models. We provide a complete and detailed analysis for a simple two-layer model that already exhibits an interesting and meaningful transition between the kernel and deep regimes, and we demonstrate the transition for more complex matrix factorization models.


Minnorm training: an algorithm for training overcomplete deep neural networks

Bansal, Yamini, Advani, Madhu, Cox, David D, Saxe, Andrew M

arXiv.org Machine Learning

In this work, we propose a new training method for finding minimum weight norm solutions in over-parameterized neural networks (NNs). This method seeks to improve training speed and generalization performance by framing NN training as a constrained optimization problem wherein the sum of the norm of the weights in each layer of the network is minimized, under the constraint of exactly fitting training data. It draws inspiration from support vector machines (SVMs), which are able to generalize well, despite often having an infinite number of free parameters in their primal form, and from recent theoretical generalization bounds on NNs which suggest that lower norm solutions generalize better. To solve this constrained optimization problem, our method employs Lagrange multipliers that act as integrators of error over training and identify `support vector'-like examples. The method can be implemented as a wrapper around gradient based methods and uses standard back-propagation of gradients from the NN for both regression and classification versions of the algorithm. We provide theoretical justifications for the effectiveness of this algorithm in comparison to early stopping and $L_2$-regularization using simple, analytically tractable settings. In particular, we show faster convergence to the max-margin hyperplane in a shallow network (compared to vanilla gradient descent); faster convergence to the minimum-norm solution in a linear chain (compared to $L_2$-regularization); and initialization-independent generalization performance in a deep linear network. Finally, using the MNIST dataset, we demonstrate that this algorithm can boost test accuracy and identify difficult examples in real-world datasets.