Optimal Classification-based Anomaly Detection with Neural Networks: Theory and Practice

Anomaly detection is an important problem in many application areas, such as network security. Many deep learning methods for unsupervised anomaly detection produce good empirical performance but lack theoretical guarantees. By casting anomaly detection into a binary classification problem, we establish non-asymptotic upper bounds and a convergence rate on the excess risk on rectified linear unit (ReLU) neural networks trained on synthetic anomalies. Our convergence rate on the excess risk matches the minimax optimal rate in the literature. Furthermore, we provide lower and upper bounds on the number of synthetic anomalies that can attain this optimality. For practical implementation, we relax some conditions to improve the search for the empirical risk minimizer, which leads to competitive performance to other classification-based methods for anomaly detection. Overall, our work provides the first theoretical guarantees of unsupervised neural network-based anomaly detectors and empirical insights on how to design them well.

A Concentration Inequality for Maximum Mean Discrepancy (MMD)-based Statistics and Its Application in Generative Models

Maximum Mean Discrepancy (MMD) is a probability metric that has found numerous applications in machine learning. In this work, we focus on its application in generative models, including the minimum MMD estimator, Generative Moment Matching Network (GMMN), and Generative Adversarial Network (GAN). In these cases, MMD is part of an objective function in a minimization or min-max optimization problem. Even if its empirical performance is competitive, the consistency and convergence rate analysis of the corresponding MMD-based estimators has yet to be carried out. We propose a uniform concentration inequality for a class of Maximum Mean Discrepancy (MMD)-based estimators, that is, a maximum deviation bound of empirical MMD values over a collection of generated distributions and adversarially learned kernels. Here, our inequality serves as an efficient tool in the theoretical analysis for MMD-based generative models. As elaborating examples, we applied our main result to provide the generalization error bounds for the MMD-based estimators in the context of the minimum MMD estimator and MMD GAN.

Approximation of RKHS Functionals by Neural Networks

Motivated by the abundance of functional data such as time series and images, there has been a growing interest in integrating such data into neural networks and learning maps from function spaces to R (i.e., functionals). In this paper, we study the approximation of functionals on reproducing kernel Hilbert spaces (RKHS's) using neural networks. We establish the universality of the approximation of functionals on the RKHS's. Specifically, we derive explicit error bounds for those induced by inverse multiquadric, Gaussian, and Sobolev kernels. Moreover, we apply our findings to functional regression, proving that neural networks can accurately approximate the regression maps in generalized functional linear models. Existing works on functional learning require integration-type basis function expansions with a set of pre-specified basis functions. By leveraging the interpolating orthogonal projections in RKHS's, our proposed network is much simpler in that we use point evaluations to replace basis function expansions.

Universal Consistency of Wide and Deep ReLU Neural Networks and Minimax Optimal Convergence Rates for Kolmogorov-Donoho Optimal Function Classes

In this paper, we prove the universal consistency of wide and deep ReLU neural network classifiers trained on the logistic loss. We also give sufficient conditions for a class of probability measures for which classifiers based on neural networks achieve minimax optimal rates of convergence. The result applies to a wide range of known function classes. In particular, while most previous works impose explicit smoothness assumptions on the regression function, our framework encompasses more general settings. The proposed neural networks are either the minimizers of the logistic loss or the $0$-$1$ loss. In the former case, they are interpolating classifiers that exhibit a benign overfitting behavior.

Asymptotic Behavior of Adversarial Training Estimator under $\ell_\infty$-Perturbation

Adversarial training has been proposed to hedge against adversarial attacks in machine learning and statistical models. This paper focuses on adversarial training under $\ell_\infty$-perturbation, which has recently attracted much research attention. The asymptotic behavior of the adversarial training estimator is investigated in the generalized linear model. The results imply that the limiting distribution of the adversarial training estimator under $\ell_\infty$-perturbation could put a positive probability mass at $0$ when the true parameter is $0$, providing a theoretical guarantee of the associated sparsity-recovery ability. Alternatively, a two-step procedure is proposed -- adaptive adversarial training, which could further improve the performance of adversarial training under $\ell_\infty$-perturbation. Specifically, the proposed procedure could achieve asymptotic unbiasedness and variable-selection consistency. Numerical experiments are conducted to show the sparsity-recovery ability of adversarial training under $\ell_\infty$-perturbation and to compare the empirical performance between classic adversarial training and adaptive adversarial training.

On Excess Risk Convergence Rates of Neural Network Classifiers

The recent success of neural networks in pattern recognition and classification problems suggests that neural networks possess qualities distinct from other more classical classifiers such as SVMs or boosting classifiers. This paper studies the performance of plug-in classifiers based on neural networks in a binary classification setting as measured by their excess risks. Compared to the typical settings imposed in the literature, we consider a more general scenario that resembles actual practice in two respects: first, the function class to be approximated includes the Barron functions as a proper subset, and second, the neural network classifier constructed is the minimizer of a surrogate loss instead of the $0$-$1$ loss so that gradient descent-based numerical optimizations can be easily applied. While the class of functions we consider is quite large that optimal rates cannot be faster than $n^{-\frac{1}{3}}$, it is a regime in which dimension-free rates are possible and approximation power of neural networks can be taken advantage of. In particular, we analyze the estimation and approximation properties of neural networks to obtain a dimension-free, uniform rate of convergence for the excess risk. Finally, we show that the rate obtained is in fact minimax optimal up to a logarithmic factor, and the minimax lower bound shows the effect of the margin assumption in this regime.

Classification of Data Generated by Gaussian Mixture Models Using Deep ReLU Networks

This paper studies the binary classification of unbounded data from ${\mathbb R}^d$ generated under Gaussian Mixture Models (GMMs) using deep ReLU neural networks. We obtain $\unicode{x2013}$ for the first time $\unicode{x2013}$ non-asymptotic upper bounds and convergence rates of the excess risk (excess misclassification error) for the classification without restrictions on model parameters. The convergence rates we derive do not depend on dimension $d$, demonstrating that deep ReLU networks can overcome the curse of dimensionality in classification. While the majority of existing generalization analysis of classification algorithms relies on a bounded domain, we consider an unbounded domain by leveraging the analyticity and fast decay of Gaussian distributions. To facilitate our analysis, we give a novel approximation error bound for general analytic functions using ReLU networks, which may be of independent interest. Gaussian distributions can be adopted nicely to model data arising in applications, e.g., speeches, images, and texts; our results provide a theoretical verification of the observed efficiency of deep neural networks in practical classification problems.

Conformalization of Sparse Generalized Linear Models

Given a sequence of observable variables $\{(x_1, y_1), \ldots, (x_n, y_n)\}$, the conformal prediction method estimates a confidence set for $y_{n+1}$ given $x_{n+1}$ that is valid for any finite sample size by merely assuming that the joint distribution of the data is permutation invariant. Although attractive, computing such a set is computationally infeasible in most regression problems. Indeed, in these cases, the unknown variable $y_{n+1}$ can take an infinite number of possible candidate values, and generating conformal sets requires retraining a predictive model for each candidate. In this paper, we focus on a sparse linear model with only a subset of variables for prediction and use numerical continuation techniques to approximate the solution path efficiently. The critical property we exploit is that the set of selected variables is invariant under a small perturbation of the input data. Therefore, it is sufficient to enumerate and refit the model only at the change points of the set of active features and smoothly interpolate the rest of the solution via a Predictor-Corrector mechanism. We show how our path-following algorithm accurately approximates conformal prediction sets and illustrate its performance using synthetic and real data examples.

Generalization Bounds for Magnitude-Based Pruning via Sparse Matrix Sketching

In this paper, we derive a novel bound on the generalization error of Magnitude-Based pruning of overparameterized neural networks. Our work builds on the bounds in Arora et al. [2018] where the error depends on one, the approximation induced by pruning, and two, the number of parameters in the pruned model, and improves upon standard norm-based generalization bounds. The pruned estimates obtained using our new Magnitude-Based compression algorithm are close to the unpruned functions with high probability, which improves the first criteria. Using Sparse Matrix Sketching, the space of the pruned matrices can be efficiently represented in the space of dense matrices of much smaller dimensions, thereby lowering the second criterion. This leads to stronger generalization bound than many state-of-the-art methods, thereby breaking new ground in the algorithm development for pruning and bounding generalization error of overparameterized models. Beyond this, we extend our results to obtain generalization bound for Iterative Pruning [Frankle and Carbin, 2018]. We empirically verify the success of this new method on ReLU-activated Feed Forward Networks on the MNIST and CIFAR10 datasets.

Adjusted Wasserstein Distributionally Robust Estimator in Statistical Learning

We propose an adjusted Wasserstein distributionally robust estimator -- based on a nonlinear transformation of the Wasserstein distributionally robust (WDRO) estimator in statistical learning. This transformation will improve the statistical performance of WDRO because the adjusted WDRO estimator is asymptotically unbiased and has an asymptotically smaller mean squared error. The adjusted WDRO will not mitigate the out-of-sample performance guarantee of WDRO. Sufficient conditions for the existence of the adjusted WDRO estimator are presented, and the procedure for the computation of the adjusted WDRO estimator is given. Specifically, we will show how the adjusted WDRO estimator is developed in the generalized linear model. Numerical experiments demonstrate the favorable practical performance of the adjusted estimator over the classic one.