Publications

Acar Ataman, Evrim N.; Kolda, Tamara G.; Dunlavy, Daniel D.

Abstract not provided.

Acar Ataman, Evrim N.; Kolda, Tamara G.; Dunlavy, Daniel D.

Abstract not provided.

Acar Ataman, Evrim N.; Kolda, Tamara G.; Dunlavy, Daniel D.

Abstract not provided.

Dunlavy, Daniel D.; Kolda, Tamara G.; Kegelmeyer, William P.

Link analysis typically focuses on a single type of connection, e.g., two journal papers are linked because they are written by the same author. However, often we want to analyze data that has multiple linkages between objects, e.g., two papers may have the same keywords and one may cite the other. The goal of this paper is to show that multilinear algebra provides a tool for multilink analysis. We analyze five years of publication data from journals published by the Society for Industrial and Applied Mathematics. We explore how papers can be grouped in the context of multiple link types using a tensor to represent all the links between them. A PARAFAC decomposition on the resulting tensor yields information similar to the SVD decomposition of a standard adjacency matrix. We show how the PARAFAC decomposition can be used to understand the structure of the document space and define paper-paper similarities based on multiple linkages. Examples are presented where the decomposed tensor data is used to find papers similar to a body of work (e.g., related by topic or similar to a particular author's papers), find related authors using linkages other than explicit co-authorship or citations, distinguish between papers written by different authors with the same name, and predict the journal in which a paper was published.

Kolda, Tamara G.; Acar Ataman, Evrim N.; Dunlavy, Daniel D.

Tensor decompositions (e.g., higher-order analogues of matrix decompositions) are powerful tools for data analysis. In particular, the CANDECOMP/PARAFAC (CP) model has proved useful in many applications such chemometrics, signal processing, and web analysis; see for details. The problem of computing the CP decomposition is typically solved using an alternating least squares (ALS) approach. We discuss the use of optimization-based algorithms for CP, including how to efficiently compute the derivatives necessary for the optimization methods. Numerical studies highlight the positive features of our CPOPT algorithms, as compared with ALS and Gauss-Newton approaches.

Dunlavy, Daniel D.; Kolda, Tamara G.; Kegelmeyer, William P.

Abstract not provided.

Brown, Shannon L.; Griffin, Joshua G.; Hough, Patricia D.; Kolda, Tamara G.; Martinez-Canales, Monica L.; Williams, Pamela J.; Adams, Brian M.; Dunlavy, Daniel D.; Swiler, Laura P.; Giunta, Anthony A.; Hart, William E.; Watson, Jean-Paul W.; Eddy, John P.

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. DAKOTA contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic finite element methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a developers manual for the DAKOTA software and describes the DAKOTA class hierarchies and their interrelationships. It derives directly from annotation of the actual source code and provides detailed class documentation, including all member functions and attributes.

Swiler, Laura P.; Giunta, Anthony A.; Hart, William E.; Watson, Jean-Paul W.; Eddy, John P.; Griffin, Joshua G.; Hough, Patricia D.; Kolda, Tamara G.; Martinez-Canales, Monica L.; Williams, Pamela J.; Eldred, Michael S.; Brown, Shannon L.; Adams, Brian M.; Dunlavy, Daniel D.

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. DAKOTA contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic finite element methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the DAKOTA software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

Brown, Shannon L.; Griffin, Joshua G.; Hough, Patricia D.; Kolda, Tamara G.; Martinez-Canales, Monica L.; Williams, Pamela J.; Adams, Brian M.; Dunlavy, Daniel D.; Swiler, Laura P.; Giunta, Anthony A.; Hart, William E.; Watson, Jean-Paul W.; Eddy, John P.

The DAKOTA (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. DAKOTA contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic finite element methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the DAKOTA toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a reference manual for the commands specification for the DAKOTA software, providing input overviews, option descriptions, and example specifications.

Kolda, Tamara G.; Dunlavy, Daniel D.; Kegelmeyer, William P.

We propose two new multilinear operators for expressing the matrix compositions that are needed in the Tucker and PARAFAC (CANDECOMP) decompositions. The first operator, which we call the Tucker operator, is shorthand for performing an n-mode matrix multiplication for every mode of a given tensor and can be employed to concisely express the Tucker decomposition. The second operator, which we call the Kruskal operator, is shorthand for the sum of the outer-products of the columns of N matrices and allows a divorce from a matricized representation and a very concise expression of the PARAFAC decomposition. We explore the properties of the Tucker and Kruskal operators independently of the related decompositions. Additionally, we provide a review of the matrix and tensor operations that are frequently used in the context of tensor decompositions.

Dunlavy, Daniel D.; Kolda, Tamara G.; Kegelmeyer, William P.

Abstract not provided.

Bader, Brett W.; Pawlowski, Roger P.; Kolda, Tamara G.

This report documents research to develop robust and efficient solution techniques for solving large-scale systems of nonlinear equations. The most widely used method for solving systems of nonlinear equations is Newton's method. While much research has been devoted to augmenting Newton-based solvers (usually with globalization techniques), little has been devoted to exploring the application of different models. Our research has been directed at evaluating techniques using different models than Newton's method: a lower order model, Broyden's method, and a higher order model, the tensor method. We have developed large-scale versions of each of these models and have demonstrated their use in important applications at Sandia. Broyden's method replaces the Jacobian with an approximation, allowing codes that cannot evaluate a Jacobian or have an inaccurate Jacobian to converge to a solution. Limited-memory methods, which have been successful in optimization, allow us to extend this approach to large-scale problems. We compare the robustness and efficiency of Newton's method, modified Newton's method, Jacobian-free Newton-Krylov method, and our limited-memory Broyden method. Comparisons are carried out for large-scale applications of fluid flow simulations and electronic circuit simulations. Results show that, in cases where the Jacobian was inaccurate or could not be computed, Broyden's method converged in some cases where Newton's method failed to converge. We identify conditions where Broyden's method can be more efficient than Newton's method. We also present modifications to a large-scale tensor method, originally proposed by Bouaricha, for greater efficiency, better robustness, and wider applicability. Tensor methods are an alternative to Newton-based methods and are based on computing a step based on a local quadratic model rather than a linear model. The advantage of Bouaricha's method is that it can use any existing linear solver, which makes it simple to write and easily portable. However, the method usually takes twice as long to solve as Newton-GMRES on general problems because it solves two linear systems at each iteration. In this paper, we discuss modifications to Bouaricha's method for a practical implementation, including a special globalization technique and other modifications for greater efficiency. We present numerical results showing computational advantages over Newton-GMRES on some realistic problems. We further discuss a new approach for dealing with singular (or ill-conditioned) matrices. In particular, we modify an algorithm for identifying a turning point so that an increasingly ill-conditioned Jacobian does not prevent convergence.

Pawlowski, Roger P.; Hooper, Russell H.; Kolda, Tamara G.; Phipps, Eric T.; Bader, Brett W.; Salinger, Andrew G.

Abstract not provided.

Keiter, Eric R.; Pawlowski, Roger P.; Hoekstra, Robert J.; Hutchinson, Scott A.; Russo, Thomas V.; Coffey, Todd S.; Kolda, Tamara G.

Abstract not provided.

Heroux, Michael A.; Kolda, Tamara G.; Long, Kevin R.; Hoekstra, Robert J.; Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.; Williams, Alan B.; Heroux, Michael A.; Hu, Jonathan J.; Lehoucq, Richard B.; Thornquist, Heidi K.; Tuminaro, Raymond S.; Willenbring, James M.; Bartlett, Roscoe B.; Howle, Victoria E.

The Trilinos Project is an effort to facilitate the design, development, integration and ongoing support of mathematical software libraries. In particular, our goal is to develop parallel solver algorithms and libraries within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific applications. Our emphasis is on developing robust, scalable algorithms in a software framework, using abstract interfaces for flexible interoperability of components while providing a full-featured set of concrete classes that implement all abstract interfaces. Trilinos uses a two-level software structure designed around collections of packages. A Trilinos package is an integral unit usually developed by a small team of experts in a particular algorithms area such as algebraic preconditioners, nonlinear solvers, etc. Packages exist underneath the Trilinos top level, which provides a common look-and-feel, including configuration, documentation, licensing, and bug-tracking. Trilinos packages are primarily written in C++, but provide some C and Fortran user interface support. We provide an open architecture that allows easy integration with other solver packages and we deliver our software to the outside community via the Gnu Lesser General Public License (LGPL). This report provides an overview of Trilinos, discussing the objectives, history, current development and future plans of the project.