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 Statistical Learning


Beyond Lazy Training for Over-parameterized Tensor Decomposition

Neural Information Processing Systems

Over-parametrization is an important technique in training neural networks. In both theory and practice, training a larger network allows the optimization algorithm to avoid bad local optimal solutions. In this paper we study a closely related tensor decomposition problem: given an $l$-th order tensor in $(R^d)^{\otimes l}$ of rank $r$ (where $r\ll d$), can variants of gradient descent find a rank $m$ decomposition where $m > r$? We show that in a lazy training regime (similar to the NTK regime for neural networks) one needs at least $m = \Omega(d^{l-1})$, while a variant of gradient descent can find an approximate tensor when $m = O^*(r^{2.5l}\log


Benign Overfitting in Multiclass Classification: All Roads Lead to Interpolation

Neural Information Processing Systems

The growing literature on benign overfitting in overparameterized models has been mostly restricted to regression or binary classification settings; however, most success stories of modern machine learning have been recorded in multiclass settings. Motivated by this discrepancy, we study benign overfitting in multiclass linear classification. Specifically, we consider the following popular training algorithms on separable data: (i) empirical risk minimization (ERM) with cross-entropy loss, which converges to the multiclass support vector machine (SVM) solution; (ii) ERM with least-squares loss, which converges to the min-norm interpolating (MNI) solution; and, (iii) the one-vs-all SVM classifier. Our first key finding is that under a simple sufficient condition, all three algorithms lead to classifiers that interpolate the training data and have equal accuracy. When the data is generated from Gaussian mixtures or a multinomial logistic model, this condition holds under high enough effective overparameterization. Second, we derive novel error bounds on the accuracy of the MNI classifier, thereby showing that all three training algorithms lead to benign overfitting under sufficient overparameterization. Ultimately, our analysis shows that good generalization is possible for SVM solutions beyond the realm in which typical margin-based bounds apply.


Nonparametric estimation of continuous DPPs with kernel methods

Neural Information Processing Systems

Determinantal Point Process (DPPs) are statistical models for repulsive point patterns. Both sampling and inference are tractable for DPPs, a rare feature among models with negative dependence that explains their popularity in machine learning and spatial statistics. Parametric and nonparametric inference methods have been proposed in the finite case, i.e. when the point patterns live in a finite ground set. In the continuous case, only parametric methods have been investigated, while nonparametric maximum likelihood for DPPs -- an optimization problem over trace-class operators -- has remained an open question. In this paper, we show that a restricted version of this maximum likelihood (MLE) problem falls within the scope of a recent representer theorem for nonnegative functions in an RKHS. This leads to a finite-dimensional problem, with strong statistical ties to the original MLE. Moreover, we propose, analyze, and demonstrate a fixed point algorithm to solve this finite-dimensional problem. Finally, we also provide a controlled estimate of the correlation kernel of the DPP, thus providing more interpretability.


High-dimensional limit theorems for SGD: Effective dynamics and critical scaling

Neural Information Processing Systems

We study the scaling limits of stochastic gradient descent (SGD) with constant step-size in the high-dimensional regime. We prove limit theorems for the trajectories of summary statistics (i.e., finite-dimensional functions) of SGD as the dimension goes to infinity. Our approach allows one to choose the summary statistics that are tracked, the initialization, and the step-size. It yields both ballistic (ODE) and diffusive (SDE) limits, with the limit depending dramatically on the former choices. We find a critical scaling regime for the step-size below which this ``effective dynamics matches gradient flow for the population loss, but at which, a new correction term appears which changes the phase diagram. About the fixed points of this effective dynamics, the corresponding diffusive limits can be quite complex and even degenerate. We demonstrate our approach on popular examples including estimation for spiked matrix and tensor models and classification via two-layer networks for binary and XOR-type Gaussian mixture models.


Non-parametric classification via expand-and-sparsify representation

Neural Information Processing Systems

In *expand-and-sparsify* (EaS) representation, a data point in $\mathcal{S}^{d-1}$ is first randomly mapped to higher dimension $\mathbb{R}^m$, where $m> d$, followed by a sparsification operation where the informative $k \ll m$ of the $m$ coordinates are set to one and the rest are set to zero. We propose two algorithms for non-parametric classification using such EaS representation. For our first algorithm, we use *winners-take-all* operation for the sparsification step and show that the proposed classifier admits the form of a locally weighted average classifier and establish its consistency via Stone's Theorem. Further, assuming that the conditional probability function $P(y=1|x)=\eta(x)$ is H\{o}lder continuous and for optimal choice of $m$, we show that the convergence rate of this classifier is minimax-optimal. For our second algorithm, we use *empirical $k$-thresholding* operation for the sparsification step, and under the assumption that data lie on a low dimensional manifold of dimension $d_0\ll d$, we show that the convergence rate of this classifier depends only on $d_0$ and is again minimax-optimal. Empirical evaluations performed on real-world datasets corroborate our theoretical results.


Small random initialization is akin to spectral learning: Optimization and generalization guarantees for overparameterized low-rank matrix reconstruction

Neural Information Processing Systems

Recently there has been significant theoretical progress on understanding the convergence and generalization of gradient-based methods on nonconvex losses with overparameterized models. Nevertheless, many aspects of optimization and generalization and in particular the critical role of small random initialization are not fully understood. In this paper, we take a step towards demystifying this role by proving that small random initialization followed by a few iterations of gradient descent behaves akin to popular spectral methods. We also show that this implicit spectral bias from small random initialization, which is provably more prominent for overparameterized models, also puts the gradient descent iterations on a particular trajectory towards solutions that are not only globally optimal but also generalize well. Concretely, we focus on the problem of reconstructing a low-rank matrix from a few measurements via a natural nonconvex formulation. In this setting, we show that the trajectory of the gradient descent iterations from small random initialization can be approximately decomposed into three phases: (I) a spectral or alignment phase where we show that that the iterates have an implicit spectral bias akin to spectral initialization allowing us to show that at the end of this phase the column space of the iterates and the underlying low-rank matrix are sufficiently aligned, (II) a saddle avoidance/refinement phase where we show that the trajectory of the gradient iterates moves away from certain degenerate saddle points, and (III) a local refinement phase where we show that after avoiding the saddles the iterates converge quickly to the underlying low-rank matrix. Underlying our analysis are insights for the analysis of overparameterized nonconvex optimization schemes that may have implications for computational problems beyond low-rank reconstruction.


Hamiltonian Monte Carlo Inference of Marginalized Linear Mixed-Effects Models

Neural Information Processing Systems

Bayesian reasoning in linear mixed-effects models (LMMs) is challenging and often requires advanced sampling techniques like Markov chain Monte Carlo (MCMC).A common approach is to write the model in a probabilistic programming language and then sample via Hamiltonian Monte Carlo (HMC).However, there are many ways a user can transform a model that make inference more or less efficient.In particular, marginalizing some variables can greatly improve inference but is difficult for users to do manually.We develop an algorithm to easily marginalize random effects in LMMs.A naive approach introduces cubic time operations within an inference algorithm like HMC, but we reduce the running time to linear using fast linear algebra techniques.We show that marginalization is always beneficial when applicable and highlight improvements in various models, especially ones from cognitive sciences.


Asymptotics of \ell_2 Regularized Network Embeddings

Neural Information Processing Systems

A common approach to solving prediction tasks on large networks, such as node classification or link prediction, begin by learning a Euclidean embedding of the nodes of the network, from which traditional machine learning methods can then be applied. This includes methods such as DeepWalk and node2vec, which learn embeddings by optimizing stochastic losses formed over subsamples of the graph at each iteration of stochastic gradient descent. In this paper, we study the effects of adding an $\ell_2$ penalty of the embedding vectors to the training loss of these types of methods. We prove that, under some exchangeability assumptions on the graph, this asymptotically leads to learning a graphon with a nuclear-norm-type penalty, and give guarantees for the asymptotic distribution of the learned embedding vectors. In particular, the exact form of the penalty depends on the choice of subsampling method used as part of stochastic gradient descent. We also illustrate empirically that concatenating node covariates to $\ell_2$ regularized node2vec embeddings leads to comparable, when not superior, performance to methods which incorporate node covariates and the network structure in a non-linear manner..


Efficient Clustering for Stretched Mixtures: Landscape and Optimality

Neural Information Processing Systems

This paper considers a canonical clustering problem where one receives unlabeled samples drawn from a balanced mixture of two elliptical distributions and aims for a classifier to estimate the labels. Many popular methods including PCA and k-means require individual components of the mixture to be somewhat spherical, and perform poorly when they are stretched. To overcome this issue, we propose a non-convex program seeking for an affine transform to turn the data into a one-dimensional point cloud concentrating around -1 and 1, after which clustering becomes easy. Our theoretical contributions are two-fold: (1) we show that the non-convex loss function exhibits desirable geometric properties when the sample size exceeds some constant multiple of the dimension, and (2) we leverage this to prove that an efficient first-order algorithm achieves near-optimal statistical precision without good initialization. We also propose a general methodology for clustering with flexible choices of feature transforms and loss objectives.


On the Equivalence between Neural Network and Support Vector Machine

Neural Information Processing Systems

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) \citep{jacot2018neural}. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK \citep{arora2019exact}. However, the equivalence is only known for ridge regression currently \citep{arora2019harnessing}, while the equivalence between NN and other kernel machines (KMs), e.g.