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ICCS
2005
Springer

Automated Operation Minimization of Tensor Contraction Expressions in Electronic Structure Calculations

8 years 9 months ago
Automated Operation Minimization of Tensor Contraction Expressions in Electronic Structure Calculations
Abstract. Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the Coupled Cluster method. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions, but the optimization problem is NP-hard. Operation minimization is an important optimization step for the Tensor Contraction Engine, a tool being developed for the automatic transformation of high-level tensor contraction expressions into efficient programs. In this paper, we develop an effective heuristic approach to the operation minimization problem, and demonstrate its effectiveness on tensor contraction expressions for coupled cluster equations.
Albert Hartono, Alexander Sibiryakov, Marcel Nooij
Added 27 Jun 2010
Updated 27 Jun 2010
Type Conference
Year 2005
Where ICCS
Authors Albert Hartono, Alexander Sibiryakov, Marcel Nooijen, Gerald Baumgartner, David E. Bernholdt, So Hirata, Chi-Chung Lam, Russell M. Pitzer, J. Ramanujam, P. Sadayappan
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