Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Challenges and Opportunities in Using Automatic Differentiation with Object-Oriented Toolkits for Scientific Computing

Conference ·
; ; ; ;
The increased use of object-oriented toolkits in large-scale scientific simulation presents new opportunities and challenges for the use of automatic (or algorithmic) differentiation (AD) techniques, especially in the context of optimization. Because object-oriented toolkits use well-defined interfaces and data structures, there is potential for simplifying the AD process. Furthermore, derivative computation can be improved by exploiting high-level information about numerical and computational abstractions. However, challenges to the successful use of AD with these toolkits also exist. Among the greatest challenges is balancing the desire to limit the scope of the AD process with the desire to minimize the work required of a user. They discuss their experiences in integrating AD with the PETSc, PVODE, and TAO toolkits and the plans for future research and development in this area.
Research Organization:
Lawrence Livermore National Lab., CA (US)
Sponsoring Organization:
US Department of Energy (US)
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
15005668
Report Number(s):
UCRL-JC-143410
Country of Publication:
United States
Language:
English

References (14)

Optimal estimation of Jacobian and Hessian matrices that arise in finite difference calculations journal September 1984
Efficient Management of Parallelism in Object-Oriented Numerical Software Libraries book January 1997
Making Automatic Differentiation Truly Automatic: Coupling PETSc with ADIC book April 2002
Integrating AD with Object-Oriented Toolkits for High-Performance Scientific Computing book January 2002
Globalized Newton-Krylov-Schwarz Algorithms and Software for Parallel Implicit CFD journal May 2000
A case study in the performance and scalability of optimization algorithms journal September 2001
PVODE, an ODE Solver for Parallel Computers journal November 1999
NEOS and Condor: solving optimization problems over the Internet journal March 2000
Projection techniques for iterative solution of with successive right-hand sides journal September 1998
ADIC: an extensible automatic differentiation tool for ANSI-C journal December 1997
Adifor 2.0: automatic differentiation of Fortran 77 programs journal January 1996
On Combining Computational Differentiation and Toolkits for Parallel Scientific Computing
  • Bischof, Christian H.; Bücker, H. Martin; Hovland, Paul D.
  • Euro-Par 2000 Parallel Processing: 6th International Euro-Par Conference Munich, Germany, August 29 – September 1, 2000 Proceedings, p. 86-94 https://doi.org/10.1007/3-540-44520-X_12
book August 2000
Parallel simulation of compressible flow using automatic differentiation and PETSc journal March 2001
The block conjugate gradient algorithm and related methods journal February 1980

Similar Records

Integrating automatic differentiation with object-oriented toolkits for high-performance scientific computing.
Conference · Tue Oct 31 23:00:00 EST 2000 · OSTI ID:768594
Developing a derivative-enhanced object-oriented toolkit for scientific computations.
Conference · Tue Jan 12 23:00:00 EST 1999 · OSTI ID:11206
Making automatic differentiation truly automatic : coupling PETSc with ADIC.
Conference · Wed Jan 09 23:00:00 EST 2002 · OSTI ID:793902

Related Subjects

99 GENERAL AND MISCELLANEOUS
COMPUTER CALCULATIONS
COMPUTERIZED SIMULATION
OPTIMIZATION