Fast Parallel Randomized QR with Column Pivoting Algorithms for Reliable Low-rank Matrix Approximations

Factorizing large matrices by QR with column pivoting (QRCP) is substantially more expensive than QR without pivoting, owing to communication costs required for pivoting decisions. In contrast, randomized QRCP (RQRCP) algorithms have proven themselves empirically to be highly competitive with high-performance implementations of QR in processing time, on uniprocessor and shared memory machines, and as reliable as QRCP in pivot quality. We show that RQRCP algorithms can be as reliable as QRCP with failure probabilities exponentially decaying in oversampling size. We also analyze efficiency differences among different RQRCP algorithms. More importantly, we develop distributed memory implementations of RQRCP that are significantly better than QRCP implementations in ScaLAPACK. As a further development, we introduce the concept of and develop algorithms for computing spectrum-revealing QR factorizations for low-rank matrix approximations, and demonstrate their effectiveness against leading low-rank approximation methods in both theoretical and numerical reliability and efficiency.Comment: 11 pages, 14 figures, accepted by 2017 IEEE 24th International Conference on High Performance Computing (HiPC), awarded the best paper priz

An efficient null space inexact Newton method for hydraulic simulation of water distribution networks

Null space Newton algorithms are efficient in solving the nonlinear equations arising in hydraulic analysis of water distribution networks. In this article, we propose and evaluate an inexact Newton method that relies on partial updates of the network pipes' frictional headloss computations to solve the linear systems more efficiently and with numerical reliability. The update set parameters are studied to propose appropriate values. Different null space basis generation schemes are analysed to choose methods for sparse and well-conditioned null space bases resulting in a smaller update set. The Newton steps are computed in the null space by solving sparse, symmetric positive definite systems with sparse Cholesky factorizations. By using the constant structure of the null space system matrices, a single symbolic factorization in the Cholesky decomposition is used multiple times, reducing the computational cost of linear solves. The algorithms and analyses are validated using medium to large-scale water network models.Comment: 15 pages, 9 figures, Preprint extension of Abraham and Stoianov, 2015 (https://dx.doi.org/10.1061/(ASCE)HY.1943-7900.0001089), September 2015. Includes extended exposition, additional case studies and new simulations and analysi

A Shift Selection Strategy for Parallel Shift-invert Spectrum Slicing in Symmetric Self-consistent Eigenvalue Computation

© 2020 ACM. The central importance of large-scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine treatment of eigenvalue problems with dimensions on the order of hundreds of thousands on the world's largest supercomputers. In cases where dense treatments are not feasible, Krylov subspace methods offer an attractive alternative due to the fact that they do not require storage of the problem matrices. However, demonstration of scalability of either of these classes of eigenvalue algorithms on computing architectures capable of expressing massive parallelism is non-trivial due to communication requirements and serial bottlenecks, respectively. In this work, we introduce the SISLICE method: a parallel shift-invert algorithm for the solution of the symmetric self-consistent field (SCF) eigenvalue problem. The SISLICE method drastically reduces the communication requirement of current parallel shift-invert eigenvalue algorithms through various shift selection and migration techniques based on density of states estimation and k-means clustering, respectively. This work demonstrates the robustness and parallel performance of the SISLICE method on a representative set of SCF eigenvalue problems and outlines research directions that will be explored in future work

Curriculum Guidelines for Undergraduate Programs in Data Science

The Park City Math Institute (PCMI) 2016 Summer Undergraduate Faculty Program met for the purpose of composing guidelines for undergraduate programs in Data Science. The group consisted of 25 undergraduate faculty from a variety of institutions in the U.S., primarily from the disciplines of mathematics, statistics and computer science. These guidelines are meant to provide some structure for institutions planning for or revising a major in Data Science

On the Equivalence Between Deep NADE and Generative Stochastic Networks

Neural Autoregressive Distribution Estimators (NADEs) have recently been shown as successful alternatives for modeling high dimensional multimodal distributions. One issue associated with NADEs is that they rely on a particular order of factorization for $P(\mathbf{x})$. This issue has been recently addressed by a variant of NADE called Orderless NADEs and its deeper version, Deep Orderless NADE. Orderless NADEs are trained based on a criterion that stochastically maximizes $P(\mathbf{x})$ with all possible orders of factorizations. Unfortunately, ancestral sampling from deep NADE is very expensive, corresponding to running through a neural net separately predicting each of the visible variables given some others. This work makes a connection between this criterion and the training criterion for Generative Stochastic Networks (GSNs). It shows that training NADEs in this way also trains a GSN, which defines a Markov chain associated with the NADE model. Based on this connection, we show an alternative way to sample from a trained Orderless NADE that allows to trade-off computing time and quality of the samples: a 3 to 10-fold speedup (taking into account the waste due to correlations between consecutive samples of the chain) can be obtained without noticeably reducing the quality of the samples. This is achieved using a novel sampling procedure for GSNs called annealed GSN sampling, similar to tempering methods that combines fast mixing (obtained thanks to steps at high noise levels) with accurate samples (obtained thanks to steps at low noise levels).Comment: ECML/PKDD 201