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Infinite width limit has shed light on generalization and optimization aspects of deep learning by establishing connections between neural networks and kernel methods. Despite their importance, the utility of these kernel methods was limited in large-scale learning settings due to their (super-)quadratic runtime and memory complexities. Moreover, most prior works on neural kernels have focused on the ReLU activation, mainly due to its popularity but also due to the difficulty of computing such kernels for general activations. In this work, we overcome such difficulties by providing methods to work with general activations. First, we compile and expand the list of activation functions admitting exact dual activation expressions to compute neural kernels. When the exact computation is unknown, we present methods to effectively approximate them. We propose a fast sketching method that approximates any multi-layered Neural Network Gaussian Process (NNGP) kernel and Neural Tangent Kernel (NTK) matrices for a wide range of activation functions, going beyond the commonly analyzed ReLU activation. This is done by showing how to approximate the neural kernels using the truncated Hermite expansion of any desired activation functions. While most prior works require data points on the unit sphere, our methods do not suffer from such limitations and are applicable to any dataset of points in $\mathbb{R}^d$. Furthermore, we provide a subspace embedding for NNGP and NTK matrices with near input-sparsity runtime and near-optimal target dimension which applies to any \emph{homogeneous} dual activation functions with rapidly convergent Taylor expansion. Empirically, with respect to exact convolutional NTK (CNTK) computation, our method achieves $106\times$ speedup for approximate CNTK of a 5-layer Myrtle network on CIFAR-10 dataset.

A determinantal point process (DPP) on a collection of $M$ items is a model, parameterized by a symmetric kernel matrix, that assigns a probability to every subset of those items. Recent work shows that removing the kernel symmetry constraint, yielding nonsymmetric DPPs (NDPPs), can lead to significant predictive performance gains for machine learning applications. However, existing work leaves open the question of scalable NDPP sampling. There is only one known DPP sampling algorithm, based on Cholesky decomposition, that can directly apply to NDPPs as well. Unfortunately, its runtime is cubic in $M$, and thus does not scale to large item collections. In this work, we first note that this algorithm can be transformed into a linear-time one for kernels with low-rank structure. Furthermore, we develop a scalable sublinear-time rejection sampling algorithm by constructing a novel proposal distribution. Additionally, we show that imposing certain structural constraints on the NDPP kernel enables us to bound the rejection rate in a way that depends only on the kernel rank. In our experiments we compare the speed of all of these samplers for a variety of real-world tasks., Comment: ICLR 2022

A determinantal point process (DPP) is an elegant model that assigns a probability to every subset of a collection of $n$ items. While conventionally a DPP is parameterized by a symmetric kernel matrix, removing this symmetry constraint, resulting in nonsymmetric DPPs (NDPPs), leads to significant improvements in modeling power and predictive performance. Recent work has studied an approximate Markov chain Monte Carlo (MCMC) sampling algorithm for NDPPs restricted to size-$k$ subsets (called $k$-NDPPs). However, the runtime of this approach is quadratic in $n$, making it infeasible for large-scale settings. In this work, we develop a scalable MCMC sampling algorithm for $k$-NDPPs with low-rank kernels, thus enabling runtime that is sublinear in $n$. Our method is based on a state-of-the-art NDPP rejection sampling algorithm, which we enhance with a novel approach for efficiently constructing the proposal distribution. Furthermore, we extend our scalable $k$-NDPP sampling algorithm to NDPPs without size constraints. Our resulting sampling method has polynomial time complexity in the rank of the kernel, while the existing approach has runtime that is exponential in the rank. With both a theoretical analysis and experiments on real-world datasets, we verify that our scalable approximate sampling algorithms are orders of magnitude faster than existing sampling approaches for $k$-NDPPs and NDPPs., Comment: ICML 2022

The Neural Tangent Kernel (NTK) has discovered connections between deep neural networks and kernel methods with insights of optimization and generalization. Motivated by this, recent works report that NTK can achieve better performances compared to training neural networks on small-scale datasets. However, results under large-scale settings are hardly studied due to the computational limitation of kernel methods. In this work, we propose an efficient feature map construction of the NTK of fully-connected ReLU network which enables us to apply it to large-scale datasets. We combine random features of the arc-cosine kernels with a sketching-based algorithm which can run in linear with respect to both the number of data points and input dimension. We show that dimension of the resulting features is much smaller than other baseline feature map constructions to achieve comparable error bounds both in theory and practice. We additionally utilize the leverage score based sampling for improved bounds of arc-cosine random features and prove a spectral approximation guarantee of the proposed feature map to the NTK matrix of two-layer neural network. We benchmark a variety of machine learning tasks to demonstrate the superiority of the proposed scheme. In particular, our algorithm can run tens of magnitude faster than the exact kernel methods for large-scale settings without performance loss.

Determinantal point processes (DPPs) have attracted significant attention in machine learning for their ability to model subsets drawn from a large item collection. Recent work shows that nonsymmetric DPP (NDPP) kernels have significant advantages over symmetric kernels in terms of modeling power and predictive performance. However, for an item collection of size $M$, existing NDPP learning and inference algorithms require memory quadratic in $M$ and runtime cubic (for learning) or quadratic (for inference) in $M$, making them impractical for many typical subset selection tasks. In this work, we develop a learning algorithm with space and time requirements linear in $M$ by introducing a new NDPP kernel decomposition. We also derive a linear-complexity NDPP maximum a posteriori (MAP) inference algorithm that applies not only to our new kernel but also to that of prior work. Through evaluation on real-world datasets, we show that our algorithms scale significantly better, and can match the predictive performance of prior work., ICLR 2021

This paper studies how to sketch element-wise functions of low-rank matrices. Formally, given low-rank matrix A = [Aij] and scalar non-linear function f, we aim for finding an approximated low-rank representation of the (possibly high-rank) matrix [f(Aij)]. To this end, we propose an efficient sketching-based algorithm whose complexity is significantly lower than the number of entries of A, i.e., it runs without accessing all entries of [f(Aij)] explicitly. The main idea underlying our method is to combine a polynomial approximation of f with the existing tensor sketch scheme for approximating monomials of entries of A. To balance the errors of the two approximation components in an optimal manner, we propose a novel regression formula to find polynomial coefficients given A and f. In particular, we utilize a coreset-based regression with a rigorous approximation guarantee. Finally, we demonstrate the applicability and superiority of the proposed scheme under various machine learning tasks.

A large class of machine learning techniques requires the solution of optimization problems involving spectral functions of parametric matrices, e.g. log-determinant and nuclear norm. Unfortunately, computing the gradient of a spectral function is generally of cubic complexity, as such gradient descent methods are rather expensive for optimizing objectives involving the spectral function. Thus, one naturally turns to stochastic gradient methods in hope that they will provide a way to reduce or altogether avoid the computation of full gradients. However, here a new challenge appears: there is no straightforward way to compute unbiased stochastic gradients for spectral functions. In this paper, we develop unbiased stochastic gradients for spectral-sums, an important subclass of spectral functions. Our unbiased stochastic gradients are based on combining randomized trace estimators with stochastic truncation of the Chebyshev expansions. A careful design of the truncation distribution allows us to offer distributions that are variance-optimal, which is crucial for fast and stable convergence of stochastic gradient methods. We further leverage our proposed stochastic gradients to devise stochastic methods for objective functions involving spectral-sums, and rigorously analyze their convergence rate. The utility of our methods is demonstrated in numerical experiments.