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1. 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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2. Exploiting sparsity to improve the accuracy of Nyström-based large-scale spectral clustering

   https://doi.org/10.1109/IJCNN.2017.7965829  

   Mohan, Mohan; Monteleoni, Claire (May 2017, 2017 International Joint Conference on Neural Networks (IJCNN))

   The Nyström method is a matrix approximation technique that has shown great promise in speeding up spectral clustering. However, when the input matrix is sparse, we show that the traditional Nyström method requires a prohibitively large number of samples to obtain a good approximation. We propose a novel sampling approach to select the landmark points used to compute the Nyström approximation. We show that the proposed sampling approach obeys the same error bound as in Bouneffouf and Birol (2015). To control sample complexity, we propose a selective densification step based on breadth-first traversal. We show that the proposed densification does not change the optimal clustering. Results on real world datasets show that by combining the proposed sampling and densification schemes, we can obtain better accuracy compared to other techniques used for the Nyström method while using significantly fewer samples. 

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3. Solving Interpretable Kernel Dimensionality Reduction

   Wu, C.; Miller, J.; Sznaier, M.; Dy, J. (December 2019, Advances in Neural Information Processing Systems 32 (NIPS 2019))

   Kernel dimensionality reduction (KDR) algorithms find a low dimensional representation of the original data by optimizing kernel dependency measures that are capable of capturing nonlinear relationships. The standard strategy is to first map the data into a high dimensional feature space using kernels prior to a projection onto a low dimensional space. While KDR methods can be easily solved by keeping the most dominant eigenvectors of the kernel matrix, its features are no longer easy to interpret. Alternatively, Interpretable KDR (IKDR) is different in that it projects onto a subspace \textit{before} the kernel feature mapping, therefore, the projection matrix can indicate how the original features linearly combine to form the new features. Unfortunately, the IKDR objective requires a non-convex manifold optimization that is difficult to solve and can no longer be solved by eigendecomposition. Recently, an efficient iterative spectral (eigendecomposition) method (ISM) has been proposed for this objective in the context of alternative clustering. However, ISM only provides theoretical guarantees for the Gaussian kernel. This greatly constrains ISM's usage since any kernel method using ISM is now limited to a single kernel. This work extends the theoretical guarantees of ISM to an entire family of kernels, thereby empowering ISM to solve any kernel method of the same objective. In identifying this family, we prove that each kernel within the family has a surrogate Φ matrix and the optimal projection is formed by its most dominant eigenvectors. With this extension, we establish how a wide range of IKDR applications across different learning paradigms can be solved by ISM. To support reproducible results, the source code is made publicly available on \url{https://github.com/ANONYMIZED} 

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4. Randomized numerical linear algebra: Foundations and algorithms

   https://doi.org/10.1017/S0962492920000021  

   Martinsson, Per-Gunnar; Tropp, Joel A. (May 2020, Acta Numerica)

   null (Ed.)

   This survey describes probabilistic algorithms for linear algebraic computations, such as factorizing matrices and solving linear systems. It focuses on techniques that have a proven track record for real-world problems. The paper treats both the theoretical foundations of the subject and practical computational issues. Topics include norm estimation, matrix approximation by sampling, structured and unstructured random embeddings, linear regression problems, low-rank approximation, subspace iteration and Krylov methods, error estimation and adaptivity, interpolatory and CUR factorizations, Nyström approximation of positive semidefinite matrices, single-view (‘streaming’) algorithms, full rank-revealing factorizations, solvers for linear systems, and approximation of kernel matrices that arise in machine learning and in scientific computing. 

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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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