Scikit-learn is a Python module integrating a wide range of state-of-the-art machine learning algorithms for medium-scale supervised and unsupervised problems. This package focuses on bringing machine learning to non-specialists using a general-purpose high-level language. Emphasis is put on ease of use, performance, documentation, and API consistency. It has minimal dependencies and is distributed under the simplified BSD license, encouraging its use in both academic and commercial settings. Source code, binaries, and documentation can be downloaded from http://scikit-learn.sourceforge.net.

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Scikit-learn: Machine Learning in Python

Scikit-learn is a Python module integrating a wide range of state-of-the-art machine learning algorithms for medium-scale supervised and unsupervised problems. This package focuses on bringing machine learning to non-specialists using a general-purpose high-level language. Emphasis is put on ease of use, performance, documentation, and API consistency. It has minimal dependencies and is distributed under the simplified BSD license, encouraging its use in both academic and commercial settings. Source code, binaries, and documentation can be downloaded from this http URL.

This paper introduces a novel algorithm to approximate the matrix with minimum nuclear norm among all matrices obeying a set of convex constraints. This problem may be understood as the convex relaxation of a rank minimization problem and arises in many important applications as in the task of recovering a large matrix from a small subset of its entries (the famous Netflix problem). Off-the-shelf algorithms such as interior point methods are not directly amenable to large problems of this kind with over a million unknown entries. This paper develops a simple first-order and easy-to-implement algorithm that is extremely efficient at addressing problems in which the optimal solution has low rank. The algorithm is iterative, produces a sequence of matrices $\{\boldsymbol{X}^k,\boldsymbol{Y}^k\}$, and at each step mainly performs a soft-thresholding operation on the singular values of the matrix $\boldsymbol{Y}^k$. There are two remarkable features making this attractive for low-rank matrix completion problems. The first is that the soft-thresholding operation is applied to a sparse matrix; the second is that the rank of the iterates $\{\boldsymbol{X}^k\}$ is empirically nondecreasing. Both these facts allow the algorithm to make use of very minimal storage space and keep the computational cost of each iteration low. On the theoretical side, we provide a convergence analysis showing that the sequence of iterates converges. On the practical side, we provide numerical examples in which $1,000\times1,000$ matrices are recovered in less than a minute on a modest desktop computer. We also demonstrate that our approach is amenable to very large scale problems by recovering matrices of rank about 10 with nearly a billion unknowns from just about 0.4% of their sampled entries. Our methods are connected with the recent literature on linearized Bregman iterations for $\ell_1$ minimization, and we develop a framework in which one can understand these algorithms in terms of well-known Lagrange multiplier algorithms.

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A Singular Value Thresholding Algorithm for Matrix Completion

Low-rank matrix approximations, such as the truncated singular value decomposition and the rank-revealing QR decomposition, play a central role in data analysis and scientific computing. This work surveys and extends recent research which demonstrates that randomization offers a powerful tool for performing low-rank matrix approximation. These techniques exploit modern computational architectures more fully than classical methods and open the possibility of dealing with truly massive data sets. This paper presents a modular framework for constructing randomized algorithms that compute partial matrix decompositions. These methods use random sampling to identify a subspace that captures most of the action of a matrix. The input matrix is then compressed—either explicitly or implicitly—to this subspace, and the reduced matrix is manipulated deterministically to obtain the desired low-rank factorization. In many cases, this approach beats its classical competitors in terms of accuracy, robustness, and/or speed. These claims are supported by extensive numerical experiments and a detailed error analysis. The specific benefits of randomized techniques depend on the computational environment. Consider the model problem of finding the $k$ dominant components of the singular value decomposition of an $m \times n$ matrix. (i) For a dense input matrix, randomized algorithms require $\bigO(mn \log(k))$ floating-point operations (flops) in contrast to $ \bigO(mnk)$ for classical algorithms. (ii) For a sparse input matrix, the flop count matches classical Krylov subspace methods, but the randomized approach is more robust and can easily be reorganized to exploit multiprocessor architectures. (iii) For a matrix that is too large to fit in fast memory, the randomized techniques require only a constant number of passes over the data, as opposed to $\bigO(k)$ passes for classical algorithms. In fact, it is sometimes possible to perform matrix approximation with a single pass over the data.

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Finding Structure with Randomness: Probabilistic Algorithms for Constructing Approximate Matrix Decompositions

Many scientific fields study data with an underlying structure that is non-Euclidean. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging, regulatory networks in genetics, and meshed surfaces in computer graphics. In many applications, such geometric data are large and complex (in the case of social networks, on the scale of billions) and are natural targets for machine-learning techniques. In particular, we would like to use deep neural networks, which have recently proven to be powerful tools for a broad range of problems from computer vision, natural-language processing, and audio analysis. However, these tools have been most successful on data with an underlying Euclidean or grid-like structure and in cases where the invariances of these structures are built into networks used to model them.

Geometric Deep Learning: Going beyond Euclidean data

We describe two recently proposed randomized algorithms for the construction of low-rank approximations to matrices, and demonstrate their application (inter alia) to the evaluation of the singular value decompositions of numerically low-rank matrices. Being probabilistic, the schemes described here have a finite probability of failure; in most cases, this probability is rather negligible (10−17 is a typical value). In many situations, the new procedures are considerably more efficient and reliable than the classical (deterministic) ones; they also parallelize naturally. We present several numerical examples to illustrate the performance of the schemes.

https://www.pnas.org/content/pnas/104/51/20167.full.pdf

Randomized algorithms for the low-rank approximation of matrices

Principal component analysis (PCA) requires the computation of a low-rank approximation to a matrix containing the data being analyzed. In many applications of PCA, the best possible accuracy of any rank-deficient approximation is at most a few digits (measured in the spectral norm, relative to the spectral norm of the matrix being approximated). In such circumstances, efficient algorithms have not come with guarantees of good accuracy, unless one or both dimensions of the matrix being approximated are small. We describe an efficient algorithm for the low-rank approximation of matrices that produces accuracy that is very close to the best possible accuracy, for matrices of arbitrary sizes. We illustrate our theoretical results via several numerical examples.

A Randomized Algorithm for Principal Component Analysis

We introduce a randomized procedure that, given an m × n matrix A and a positive integer k, approximates A with a matrix Z of rank k. The algorithm relies on applying a structured l × m random matrix R to each column of A ,w herel is an integer near to, but greater than, k. The structure of R allows us to apply it to an arbitrary m × 1 vector at a cost proportional to m log(l); the resulting procedure can construct a rank-k approximation Z from the entries of A at a cost proportional to mn log(k) + l 2 (m + n). We prove

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A randomized algorithm for the approximation of matrices

A randomized algorithm for the decomposition of matrices

Principal component analysis (PCA) requires the computation of a low-rank approximation to a matrix containing the data being analyzed. In many applications of PCA, the best possible accuracy of any rank-deficient approximation is at most a few digits (measured in the spectral norm, relative to the spectral norm of the matrix being approximated). In such circumstances, efficient algorithms have not come with guarantees of good accuracy, unless one or both dimensions of the matrix being approximated are small. We describe an efficient algorithm for the low-rank approximation of matrices that produces accuracy very close to the best possible, for matrices of arbitrary sizes. We illustrate our theoretical results via several numerical examples.

Mark Tygert

Papers

Randomized algorithms for the low-rank approximation of matrices

A Randomized Algorithm for Principal Component Analysis

A randomized algorithm for the approximation of matrices

A randomized algorithm for the decomposition of matrices

A randomized algorithm for principal component analysis