Michael A. Saunders

Jason D. Lee, Yuekai Sun, Michael A. Saunders

We generalize Newton-type methods for minimizing smooth functions to handle a sum of two convex functions: a smooth function and a nonsmooth function with a simple proximal mapping. We show that the resulting proximal Newton-type methods inherit the desirable convergence behavior of Newton-type methods for minimizing smooth functions, even when search directions are computed inexactly. Many popular methods tailored to problems arising in bioinformatics, signal processing, and statistical learning are special cases of proximal Newton-type methods, and our analysis yields new convergence results for some of these methods.

Xiangrui Meng, Michael A. Saunders, Michael W. Mahoney

We describe a parallel iterative least squares solver named \texttt{LSRN} that is based on random normal projection. \texttt{LSRN} computes the min-length solution to $\min_{x \in \mathbb{R}^n} \|A x - b\|_2$, where $A \in \mathbb{R}^{m \times n}$ with $m \gg n$ or $m \ll n$, and where $A$ may be rank-deficient. Tikhonov regularization may also be included. Since $A$ is only involved in matrix-matrix and matrix-vector multiplications, it can be a dense or sparse matrix or a linear operator, and \texttt{LSRN} automatically speeds up when $A$ is sparse or a fast linear operator. The preconditioning phase consists of a random normal projection, which is embarrassingly parallel, and a singular value decomposition of size $\lceil γ\min(m,n) \rceil \times \min(m,n)$, where $γ$ is moderately larger than 1, e.g., $γ= 2$. We prove that the preconditioned system is well-conditioned, with a strong concentration result on the extreme singular values, and hence that the number of iterations is fully predictable when we apply LSQR or the Chebyshev semi-iterative method. As we demonstrate, the Chebyshev method is particularly efficient for solving large problems on clusters with high communication cost. Numerical results demonstrate that on a shared-memory machine, \texttt{LSRN} outperforms LAPACK's DGELSD on large dense problems, and MATLAB's backslash (SuiteSparseQR) on sparse problems. Further experiments demonstrate that \texttt{LSRN} scales well on an Amazon Elastic Compute Cloud cluster.

Sou-Cheng T. Choi, Michael A. Saunders

We describe algorithm MINRES-QLP and its FORTRAN 90 implementation for solving symmetric or Hermitian linear systems or least-squares problems. If the system is singular, MINRES-QLP computes the unique minimum-length solution (also known as the pseudoinverse solution), which generally eludes MINRES. In all cases, it overcomes a potential instability in the original MINRES algorithm. A positive-definite preconditioner may be supplied. Our FORTRAN 90 implementation illustrates a design pattern that allows users to make problem data known to the solver but hidden and secure from other program units. In particular, we circumvent the need for reverse communication. While we focus here on a FORTRAN 90 implementation, we also provide and maintain MATLAB versions of MINRES and MINRES-QLP.

Johannes J. Brust, Michael A. Saunders

For a datastream, the change over a short interval is often of low rank. For high throughput information arranged in matrix format, recomputing an optimal SVD approximation after each step is typically prohibitive. Instead, incremental and truncated updating strategies are used, which may not scale for large truncation ranks. Therefore, we propose a set of efficient new algorithms that update a bidiagonal factorization, and which are similarly accurate as the SVD methods. In particular, we develop a compact Householder-type algorithm that decouples a sparse part from a low-rank update and has about half the memory requirements of standard bidiagonalization methods. A second algorithm based on Givens rotations has only about 10 flops per rotation and scales quadratically with the problem size, compared to a typical cubic scaling. The algorithm is therefore effective for processing high-throughput updates, as we demonstrate in tracking large subspaces of recommendation systems and networks, and when compared to well known software such as LAPACK or the incremental SVD.

Ali Eshragh, Oliver Di Pietro, Michael A. Saunders

In time series analysis, when fitting an autoregressive model, one must solve a Toeplitz ordinary least squares problem numerous times to find an appropriate model, which can severely affect computational times with large data sets. Two recent algorithms (LSAR and Repeated Halving) have applied randomized numerical linear algebra (RandNLA) techniques to fitting an autoregressive model to big time-series data. We investigate and compare the quality of these two approximation algorithms on large-scale synthetic and real-world data. While both algorithms display comparable results for synthetic datasets, the LSAR algorithm appears to be more robust when applied to real-world time series data. We conclude that RandNLA is effective in the context of big-data time series.

Laurence Yang, Michael A. Saunders, Jean-Christophe Lachance et al.

Optimization-based models have been used to predict cellular behavior for over 25 years. The constraints in these models are derived from genome annotations, measured macro-molecular composition of cells, and by measuring the cell's growth rate and metabolism in different conditions. The cellular goal (the optimization problem that the cell is trying to solve) can be challenging to derive experimentally for many organisms, including human or mammalian cells, which have complex metabolic capabilities and are not well understood. Existing approaches to learning goals from data include (a) estimating a linear objective function, or (b) estimating linear constraints that model complex biochemical reactions and constrain the cell's operation. The latter approach is important because often the known/observed biochemical reactions are not enough to explain observations, and hence there is a need to extend automatically the model complexity by learning new chemical reactions. However, this leads to nonconvex optimization problems, and existing tools cannot scale to realistically large metabolic models. Hence, constraint estimation is still used sparingly despite its benefits for modeling cell metabolism, which is important for developing novel antimicrobials against pathogens, discovering cancer drug targets, and producing value-added chemicals. Here, we develop the first approach to estimating constraint reactions from data that can scale to realistically large metabolic models. Previous tools have been used on problems having less than 75 biochemical reactions and 60 metabolites, which limits real-life-size applications. We perform extensive experiments using 75 large-scale metabolic network models for different organisms (including bacteria, yeasts, and mammals) and show that our algorithm can recover cellular constraint reactions, even when some measurements are missing.

Jason D. Lee, Yuekai Sun, Michael A. Saunders

We generalize Newton-type methods for minimizing smooth functions to handle a sum of two convex functions: a smooth function and a nonsmooth function with a simple proximal mapping. We show that the resulting proximal Newton-type methods inherit the desirable convergence behavior of Newton-type methods for minimizing smooth functions, even when search directions are computed inexactly. Many popular methods tailored to problems arising in bioinformatics, signal processing, and statistical learning are special cases of proximal Newton-type methods, and our analysis yields new convergence results for some of these methods.