Generalization Guarantees for Neural Networks via Harnessing the Low-rank Structure of the Jacobian

Modern neural network architectures often generalize well despite containing many more parameters than the size of the training dataset. This paper explores the generalization capabilities of neural networks trained via gradient descent. We develop a data-dependent optimization and generalization theory which leverages the low-rank structure of the Jacobian matrix associated with the network. Our results help demystify why training and generalization is easier on clean and structured datasets and harder on noisy and unstructured datasets as well as how the network size affects the evolution of the train and test errors during training. Specifically, we use a control knob to split the Jacobian spectum into "information" and "nuisance" spaces associated with the large and small singular values. We show that over the information space learning is fast and one can quickly train a model with zero training loss that can also generalize well. Over the nuisance space training is slower and early stopping can help with generalization at the expense of some bias. We also show that the overall generalization capability of the network is controlled by how well the label vector is aligned with the information space. A key feature of our results is that even constant width neural nets can provably generalize for sufficiently nice datasets. We conduct various numerical experiments on deep networks that corroborate our theoretical findings and demonstrate that: (i) the Jacobian of typical neural networks exhibit low-rank structure with a few large singular values and many small ones leading to a low-dimensional information space, (ii) over the information space learning is fast and most of the label vector falls on this space, and (iii) label noise falls on the nuisance space and impedes optimization/generalization.

Quickly Finding the Best Linear Model in High Dimensions

We study the problem of finding the best linear model that can minimize least-squares loss given a data-set. While this problem is trivial in the low dimensional regime, it becomes more interesting in high dimensions where the population minimizer is assumed to lie on a manifold such as sparse vectors. We propose projected gradient descent (PGD) algorithm to estimate the population minimizer in the finite sample regime. We establish linear convergence rate and data dependent estimation error bounds for PGD. Our contributions include: 1) The results are established for heavier tailed sub-exponential distributions besides sub-gaussian. 2) We directly analyze the empirical risk minimization and do not require a realizable model that connects input data and labels. 3) Our PGD algorithm is augmented to learn the bias terms which boosts the performance. The numerical experiments validate our theoretical results.

Gradient Descent with Early Stopping is Provably Robust to Label Noise for Overparameterized Neural Networks

Modern neural networks are typically trained in an over-parameterized regime where the parameters of the model far exceed the size of the training data. Due to over-parameterization these neural networks in principle have the capacity to (over)fit any set of labels including pure noise. Despite this high fitting capacity, somewhat paradoxically, neural network models trained via first-order methods continue to predict well on yet unseen test data. In this paper we take a step towards demystifying this phenomena. In particular we show that first order methods such as gradient descent are provably robust to noise/corruption on a constant fraction of the labels despite over-parametrization under a rich dataset model. In particular: i) First, we show that in the first few iterations where the updates are still in the vicinity of the initialization these algorithms only fit to the correct labels essentially ignoring the noisy labels. ii) Secondly, we prove that to start to overfit to the noisy labels these algorithms must stray rather far from from the initial model which can only occur after many more iterations. Together, these show that gradient descent with early stopping is provably robust to label noise and shed light on empirical robustness of deep networks as well as commonly adopted heuristics to prevent overfitting.

Towards moderate overparameterization: global convergence guarantees for training shallow neural networks

Many modern neural network architectures are trained in an overparameterized regime where the parameters of the model exceed the size of the training dataset. Sufficiently overparameterized neural network architectures in principle have the capacity to fit any set of labels including random noise. However, given the highly nonconvex nature of the training landscape it is not clear what level and kind of overparameterization is required for first order methods to converge to a global optima that perfectly interpolate any labels. A number of recent theoretical works have shown that for very wide neural networks where the number of hidden units is polynomially large in the size of the training data gradient descent starting from a random initialization does indeed converge to a global optima. However, in practice much more moderate levels of overparameterization seems to be sufficient and in many cases overparameterized models seem to perfectly interpolate the training data as soon as the number of parameters exceed the size of the training data by a constant factor. Thus there is a huge gap between the existing theoretical literature and practical experiments. In this paper we take a step towards closing this gap. Focusing on shallow neural nets and smooth activations, we show that (stochastic) gradient descent when initialized at random converges at a geometric rate to a nearby global optima as soon as the square-root of the number of network parameters exceeds the size of the training data. Our results also benefit from a fast convergence rate and continue to hold for non-differentiable activations such as Rectified Linear Units (ReLUs).

Overparameterized Nonlinear Learning: Gradient Descent Takes the Shortest Path?

Many modern learning tasks involve fitting nonlinear models to data which are trained in an overparameterized regime where the parameters of the model exceed the size of the training dataset. Due to this overparameterization, the training loss may have infinitely many global minima and it is critical to understand the properties of the solutions found by first-order optimization schemes such as (stochastic) gradient descent starting from different initializations. In this paper we demonstrate that when the loss has certain properties over a minimally small neighborhood of the initial point, first order methods such as (stochastic) gradient descent have a few intriguing properties: (1) the iterates converge at a geometric rate to a global optima even when the loss is nonconvex, (2) among all global optima of the loss the iterates converge to one with a near minimal distance to the initial point, (3) the iterates take a near direct route from the initial point to this global optima. As part of our proof technique, we introduce a new potential function which captures the precise tradeoff between the loss function and the distance to the initial point as the iterations progress. For Stochastic Gradient Descent (SGD), we develop novel martingale techniques that guarantee SGD never leaves a small neighborhood of the initialization, even with rather large learning rates. We demonstrate the utility of our general theory for a variety of problem domains spanning low-rank matrix recovery to neural network training. Underlying our analysis are novel insights that may have implications for training and generalization of more sophisticated learning problems including those involving deep neural network architectures.

Stochastic Gradient Descent Learns State Equations with Nonlinear Activations

We study discrete time dynamical systems governed by the state equation $h_{t+1}=\phi(Ah_t+Bu_t)$. Here $A,B$ are weight matrices, $\phi$ is an activation function, and $u_t$ is the input data. This relation is the backbone of recurrent neural networks (e.g. LSTMs) which have broad applications in sequential learning tasks. We utilize stochastic gradient descent to learn the weight matrices from a finite input/state trajectory $(u_t,h_t)_{t=0}^N$. We prove that SGD estimate linearly converges to the ground truth weights while using near-optimal sample size. Our results apply to increasing activations whose derivatives are bounded away from zero. The analysis is based on i) a novel SGD convergence result with nonlinear activations and ii) careful statistical characterization of the state vector. Numerical experiments verify the fast convergence of SGD on ReLU and leaky ReLU in consistence with our theory.

High Dimensional Data Enrichment: Interpretable, Fast, and Data-Efficient

High dimensional structured data enriched model describes groups of observations by shared and per-group individual parameters, each with its own structure such as sparsity or group sparsity. In this paper, we consider the general form of data enrichment where data comes in a fixed but arbitrary number of groups G. Any convex function, e.g., norms, can characterize the structure of both shared and individual parameters. We propose an estimator for high dimensional data enriched model and provide conditions under which it consistently estimates both shared and individual parameters. We also delineate sample complexity of the estimator and present high probability non-asymptotic bound on estimation error of all parameters. Interestingly the sample complexity of our estimator translates to conditions on both per-group sample sizes and the total number of samples. We propose an iterative estimation algorithm with linear convergence rate and supplement our theoretical analysis with synthetic and real experimental results. Particularly, we show the predictive power of data-enriched model along with its interpretable results in anticancer drug sensitivity analysis.

Non-asymptotic Identification of LTI Systems from a Single Trajectory

We consider the problem of learning a realization for a linear time-invariant (LTI) dynamical system from input/output data. Given a single input/output trajectory, we provide finite time analysis for learning the system's Markov parameters, from which a balanced realization is obtained using the classical Ho-Kalman algorithm. By proving a stability result for the Ho-Kalman algorithm and combining it with the sample complexity results for Markov parameters, we show how much data is needed to learn a balanced realization of the system up to a desired accuracy with high probability.

Learning Compact Neural Networks with Regularization

Proper regularization is critical for speeding up training, improving generalization performance, and learning compact models that are cost efficient. We propose and analyze regularized gradient descent algorithms for learning shallow neural networks. Our framework is general and covers weight-sharing (convolutional networks), sparsity (network pruning), and low-rank constraints among others. We first introduce covering dimension to quantify the complexity of the constraint set and provide insights on the generalization properties. Then, we show that proposed algorithms become well-behaved and local linear convergence occurs once the amount of data exceeds the covering dimension. Overall, our results demonstrate that near-optimal sample complexity is sufficient for efficient learning and illustrate how regularization can be beneficial to learn over-parameterized networks.