Faster identification of optimal contraction sequences for tensor networks

Abstract

The efficient evaluation of tensor expressions involving sums over multiple indices is of significant importance to many fields of research, including quantum many-body physics, loop quantum gravity, and quantum chemistry. The computational cost of evaluating an expression may depend strongly upon the order in which the index sums are evaluated, and determination of the operation-minimising contraction sequence for a single tensor network (single term, in quantum chemistry) is known to be NP-hard. The current preferred solution is an exhaustive search, using either an iterative depth-first approach with pruning or dynamic programming and memoisation, but these approaches are impractical for many of the larger tensor network Ansaetze encountered in quantum many-body physics. We present a modified search algorithm with enhanced pruning which exhibits a performance increase of several orders of magnitude while still guaranteeing identification of an optimal operation-minimising contraction sequence for a single tensor network. A reference implementation for MATLAB, compatible with the ncon() and multienv() network contractors of arXiv:1402.0939 and arXiv:1310.8023 respectively, is supplied.Comment: 25 pages, 12 figs, 2 tables, includes reference implementation of algorithm, v2.01. Update corrects the display of contraction sequences involving single-tensor traces (i.e. where an index in the input appears twice on the same tensor