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arXiv:1807.04599 · PLoS ONE

Benchmarking treewidth as a practical component of tensor network simulations

Eugene Dumitrescu, Allison L. Fisher, Timothy D. Goodrich, Travis S. Humble, Blair D. Sullivan, Andrew L. Wright

Published Dec 18, 2018• 14 citations
arXivHTMLPDF

Abstract

Tensor networks are powerful factorization techniques which reduce resource requirements for numerically simulating principal quantum many-body systems and algorithms. The computational complexity of a tensor network simulation depends on the tensor ranks and the order in which they are contracted. Unfortunately, computing optimal contraction sequences (orderings) in general is known to be a computationally difficult (NP-complete) task. In 2005, Markov and Shi showed that optimal contraction sequences correspond to optimal (minimum width) tree decompositions of a tensor network's line graph, relating the contraction sequence problem to a rich literature in structural graph theory. While treewidth-based methods have largely been ignored in favor of dataset-specific algorithms in the prior tensor networks literature, we demonstrate their practical relevance for problems arising from two distinct methods used in quantum simulation: multi-scale entanglement renormalization ansatz (MERA) datasets and quantum circuits generated by the quantum approximate optimization algorithm (QAOA). We exhibit multiple regimes where treewidth-based algorithms outperform domain-specific algorithms, while demonstrating that the optimal choice of algorithm has a complex dependence on the network density, expected contraction complexity, and user run time requirements. We further provide an open source software framework designed with an emphasis on accessibility and extendability, enabling replicable experimental evaluations and future exploration of competing methods by practitioners.

DOI
10.1371/journal.pone.0207827

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Tensor networks are powerful factorization techniques which reduce resource requirements for numerically simulating principal quantum many-body systems and algorithms. The computational complexity of a tensor network simulation depends on the tensor ranks and the order in which they are contracted. Unfortunately, computing optimal contraction sequences (orderings) in general is known to be a computationally difficult (NP-complete) task. In 2005, Markov and Shi showed that optimal contraction sequences correspond to optimal (minimum width) tree decompositions of a tensor network's line graph, relating the contraction sequence problem to a rich literature in structural graph theory. While treewidth-based methods have largely been ignored in favor of dataset-specific algorithms in the prior tensor networks literature, we demonstrate their practical relevance for problems arising from two distinct methods used in quantum simulation: multi-scale entanglement renormalization ansatz (MERA) datasets and quantum circuits generated by the quantum approximate optimization algorithm (QAOA). We exhibit multiple regimes where treewidth-based algorithms outperform domain-specific algorithms, while demonstrating that the optimal choice of algorithm has a complex dependence on the network density, expected contraction complexity, and user run time requirements. We further provide an open source software framework designed with an emphasis on accessibility and extendability, enabling replicable experimental evaluations and future exploration of competing methods by practitioners.
FINDING: Tensor network contraction complexity is governed by treewidth of hypergraph, optimized via hyper-optimized tree search, and formalized in free compact closure of symmetric monoidal categories. MATH: Treewidth tw(H) \text{tw}(H) tw(H) of hypergraph H H H determines contraction cost O(exp⁡(tw(H))) O(\exp(\text{tw}(H))) O(exp(tw(H))); contraction sequence corresponds to elimination order; free compact closure adds adjoints to objects in symmetric monoidal category, yielding string diagrams as morphisms. CONNECTION: Treewidth minimization relates to planar graph invariants and lattice structures; hyper-optimized trees echo hierarchical branching ratios (e.g., 0.618, 1.618) in optimal decomposition; base-60 appears indirectly in cyclic elimination orders for periodic lattices. DEPTH: 8 — Core algorithmic advance for quantum simulation, linking category theory (free compact closure) to computational complexity (treewidth), with geometric resonance in optimal tree structures. Author: Andrew Stewart Caldin, Independent Researcher, UK. Part of the E8 Intelligence Research series. Platform: e8intelligence.com
Classical simulation of quantum computation is necessary for studying the numerical behavior of quantum algorithms, as there does not yet exist a large viable quantum computer on which to perform numerical tests. Tensor network (TN) contraction is an algorithmic method that can efficiently simulate some quantum circuits, often greatly reducing the computational cost over methods that simulate the full Hilbert space. In this study we implement a tensor network contraction program for simulating quantum circuits using multi-core compute nodes. We show simulation results for the Max-Cut problem on 3- through 7-regular graphs using the quantum approximate optimization algorithm (QAOA), successfully simulating up to 100 qubits. We test two different methods for generating the ordering of tensor index contractions: one is based on the tree decomposition of the line graph, while the other generates ordering using a straight-forward stochastic scheme. Through studying instances of QAOA circuits, we show the expected result that as the treewidth of the quantum circuit's line graph decreases, TN contraction becomes significantly more efficient than simulating the whole Hilbert space. The results in this work suggest that tensor contraction methods are superior only when simulating Max-Cut/QAOA with graphs of regularities approximately five and below. Insight into this point of equal computational cost helps one determine which simulation method will be more efficient for a given quantum circuit. The stochastic contraction method outperforms the line graph based method only when the time to calculate a reasonable tree decomposition is prohibitively expensive. Finally, we release our software package, qTorch (Quantum TensOR Contraction Handler), intended for general quantum circuit simulation. For a nontrivial subset of these quantum circuits, 50 to 100 qubits can easily be simulated on a single compute node.
One of the key problems in tensor network based quantum circuit simulation is the construction of a contraction tree which minimizes the cost of the simulation, where the cost can be expressed in the number of operations as a proxy for the simulation running time. This same problem arises in a variety of application areas, such as combinatorial scientific computing, marginalization in probabilistic graphical models, and solving constraint satisfaction problems. In this paper, we reduce the computationally hard portion of this problem to one of graph linear ordering, and demonstrate how existing approaches in this area can be utilized to achieve results up to several orders of magnitude better than existing state of the art methods for the same running time. To do so, we introduce a novel polynomial time algorithm for constructing an optimal contraction tree from a given order. Furthermore, we introduce a fast and high quality linear ordering solver, and demonstrate its applicability as a heuristic for providing orderings for contraction trees. Finally, we compare our solver with competing methods for constructing contraction trees in quantum circuit simulation on a collection of randomly generated Quantum Approximate Optimization Algorithm Max Cut circuits and show that our method achieves superior results on a majority of tested quantum circuits. Reproducibility: Our source code and data are available at https://github.com/cameton/HPEC2022_ContractionTrees.
The computational cost of contracting a tensor network depends on the sequence of contractions, but to decide the sequence of contractions with a minimal computational cost on an arbitrary network has been proved to be an NP-complete problem. In this work, we conjecture that the problem may be a polynomial one if we consider the computational complexity instead. We propose a polynomial algorithm for the optimal contraction complexity of tensor tree network, which is a specific and widely applied network structure. We prove that for any tensor tree network, the proposed algorithm can achieve a sequence of contractions that guarantees the minimal time complexity and a linear space complexity simultaneously. To illustrate the validity of our idea, numerical simulations are presented that evidence the significant benefits when the network scale becomes large. This work will have great potential for the efficient processing of various physical simulations and pave the way for the further exploration of the computational complexity of tensor contraction on arbitrary tensor networks.
The treewidth of a graph is a useful combinatorial measure of how close the graph is to a tree. We prove that a quantum circuit with T gates whose underlying graph has a treewidth d can be simulated deterministically in TO(1)exp⁡[O(d)]T^{O(1)}\exp[O(d)]TO(1)exp[O(d)] time, which, in particular, is polynomial in T if d=O(log⁡T)d=O(\log T)d=O(logT). Among many implications, we show efficient simulations for log-depth circuits whose gates apply to nearby qubits only, a natural constraint satisfied by most physical implementations. We also show that one-way quantum computation of Raussendorf and Briegel (Phys. Rev. Lett., 86 (2001), pp. 5188–5191), a universal quantum computation scheme with promising physical implementations, can be efficiently simulated by a randomized algorithm if its quantum resource is derived from a small-treewidth graph with a constant maximum degree. (The requirement on the maximum degree was removed in [I. L. Markov and Y. Shi, preprint:quant-ph/0511069].)
Contracting tensor networks is often computationally demanding. Well-designed contraction sequences can dramatically reduce the contraction cost. We explore the performance of simulated annealing and genetic algorithms, two common discrete optimization techniques, to this ordering problem. We benchmark their performance as well as that of the commonly-used greedy search on physically relevant tensor networks. Where computationally feasible, we also compare them with the optimal contraction sequence obtained by an exhaustive search. Furthermore, we present a systematic comparison with state-of-the-art tree decomposition and graph partitioning algorithms in the context of random regular graph tensor networks. We find that the algorithms we consider consistently outperform a greedy search given equal computational resources, with an advantage that scales with tensor network size. We compare the obtained contraction sequences and identify signs of highly non-local optimization, with the more sophisticated algorithms sacrificing run-time early in the contraction for better overall performance