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1. Accumulations of Projections—A Unified Framework for Random Sketches in Kernel Ridge Regression

   Chen, Yifan ; Yang, Yun. ( January 2021 , Proceedings of Machine Learning Research)

   null (Ed.)

   Building a sketch of an n-by-n empirical kernel matrix is a common approach to accelerate the computation of many kernel methods. In this paper, we propose a unified framework of constructing sketching methods in kernel ridge regression (KRR), which views the sketching matrix S as an accumulation of m rescaled sub-sampling matrices with independent columns. Our framework incorporates two commonly used sketching methods, sub-sampling sketches (known as the Nyström method) and sub-Gaussian sketches, as special cases with m=1 and m=infinity respectively. Under the new framework, we provide a unified error analysis of sketching approximation and show that our accumulation scheme improves the low accuracy of sub-sampling sketches when certain incoherence characteristic is high, and accelerates the more accurate but computationally heavier sub-Gaussian sketches. By optimally choosing the number m of accumulations, we show that a best trade-off between computational efficiency and statistical accuracy can be achieved. In practice, the sketching method can be as efficiently implemented as the sub-sampling sketches, as only minor extra matrix additions are needed. Our empirical evaluations also demonstrate that the proposed method may attain the accuracy close to sub-Gaussian sketches, while is as efficient as sub-sampling-based sketches. 

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2. Fast Statistical Leverage Score Approximation in Kernel Ridge Regression

   Chen, Yifan ; Yang, Yun ( January 2021 , Proceedings of Machine Learning Research)

   null (Ed.)

   Nyström approximation is a fast randomized method that rapidly solves kernel ridge regression (KRR) problems through sub-sampling the n-by-n empirical kernel matrix appearing in the objective function. However, the performance of such a sub-sampling method heavily relies on correctly estimating the statistical leverage scores for forming the sampling distribution, which can be as costly as solving the original KRR. In this work, we propose a linear time (modulo poly-log terms) algorithm to accurately approximate the statistical leverage scores in the stationary-kernel-based KRR with theoretical guarantees. Particularly, by analyzing the first-order condition of the KRR objective, we derive an analytic formula, which depends on both the input distribution and the spectral density of stationary kernels, for capturing the non-uniformity of the statistical leverage scores. Numerical experiments demonstrate that with the same prediction accuracy our method is orders of magnitude more efficient than existing methods in selecting the representative sub-samples in the Nyström approximation. 

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3. Statistical Optimality and Computational Efficiency of Nystrom Kernel PCA

   Sterge, N ; Sriperumbudur, Bharath K. ( January 2022 , Journal of machine learning research)

   Kernel methods provide an elegant framework for developing nonlinear learning algorithms from simple linear methods. Though these methods have superior empirical performance in several real data applications, their usefulness is inhibited by the significant computational burden incurred in large sample situations. Various approximation schemes have been proposed in the literature to alleviate these computational issues, and the approximate kernel machines are shown to retain the empirical performance. However, the theoretical properties of these approximate kernel machines are less well understood. In this work, we theoretically study the trade-off between computational complexity and statistical accuracy in Nystrom approximate kernel principal component analysis (KPCA), wherein we show that the Nystrom approximate KPCA matches the statistical performance of (non-approximate) KPCA while remaining computationally beneficial. Additionally, we show that Nystrom approximate KPCA outperforms the statistical behavior of another popular approximation scheme, the random feature approximation, when applied to KPCA. 

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4. Sub-exponential time Sum-of-Squares lower bounds for Principal Components Analysis

   Potechin, Aaron ; Rajendran, Goutham ( December 2022 , Advances in neural information processing systems)

   Principal Components Analysis (PCA) is a dimension-reduction technique widely used in machine learning and statistics. However, due to the dependence of the principal components on all the dimensions, the components are notoriously hard to interpret. Therefore, a variant known as sparse PCA is often preferred. Sparse PCA learns principal components of the data but enforces that such components must be sparse. This has applications in diverse fields such as computational biology and image processing. To learn sparse principal components, it’s well known that standard PCA will not work, especially in high dimensions, and therefore algorithms for sparse PCA are often studied as a separate endeavor. Various algorithms have been proposed for Sparse PCA over the years, but given how fundamental it is for applications in science, the limits of efficient algorithms are only partially understood. In this work, we study the limits of the powerful Sum of Squares (SoS) family of algorithms for Sparse PCA. SoS algorithms have recently revolutionized robust statistics, leading to breakthrough algorithms for long-standing open problems in machine learning, such as optimally learning mixtures of gaussians, robust clustering, robust regression, etc. Moreover, it is believed to be the optimal robust algorithm for many statistical problems. Therefore, for sparse PCA, it’s plausible that it can beat simpler algorithms such as diagonal thresholding that have been traditionally used. In this work, we show that this is not the case, by exhibiting strong tradeoffs between the number of samples required, the sparsity and the ambient dimension, for which SoS algorithms, even if allowed sub-exponential time, will fail to optimally recover the component. Our results are complemented by known algorithms in literature, thereby painting an almost complete picture of the behavior of efficient algorithms for sparse PCA. Since SoS algorithms encapsulate many algorithmic techniques such as spectral or statistical query algorithms, this solidifies the message that known algorithms are optimal for sparse PCA. Moreover, our techniques are strong enough to obtain similar tradeoffs for Tensor PCA, another important higher order variant of PCA with applications in topic modeling, video processing, etc. 

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5. Skyformer: Remodel Self-Attention with Gaussian Kernel and Nyström Method

   Chen, Yifan ; Zeng, Qi ; Ji, Heng ; Yang, Yun. ( January 2021 , Advances in neural information processing systems)

   null (Ed.)

   Transformers are expensive to train due to the quadratic time and space complexity in the self-attention mechanism. On the other hand, although kernel machines suffer from the same computation bottleneck in pairwise dot products, several approximation schemes have been successfully incorporated to considerably reduce their computational cost without sacrificing too much accuracy. In this work, we leverage the computation methods for kernel machines to alleviate the high computational cost and introduce Skyformer, which replaces the softmax structure with a Gaussian kernel to stabilize the model training and adapts the Nyström method to a non-positive semidefinite matrix to accelerate the computation. We further conduct theoretical analysis by showing that the matrix approximation error of our proposed method is small in the spectral norm. Experiments on Long Range Arena benchmark show that the proposed method is sufficient in getting comparable or even better performance than the full self-attention while requiring fewer computation resources. 

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