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arXiv:2002.01935 · Quantum

Hyper-optimized tensor network contraction

Johnnie Gray, Stefanos Kourtis

Published Mar 15, 2021• 213 citations
arXivHTMLPDF

Abstract

Tensor networks represent the state-of-the-art in computational methods across many disciplines, including the classical simulation of quantum many-body systems and quantum circuits. Several applications of current interest give rise to tensor networks with irregular geometries. Finding the best possible contraction path for such networks is a central problem, with an exponential effect on computation time and memory footprint. In this work, we implement new randomized protocols that find very high quality contraction paths for arbitrary and large tensor networks. We test our methods on a variety of benchmarks, including the random quantum circuit instances recently implemented on Google quantum chips. We find that the paths obtained can be very close to optimal, and often many orders or magnitude better than the most established approaches. As different underlying geometries suit different methods, we also introduce a hyper-optimization approach, where both the method applied and its algorithmic parameters are tuned during the path finding. The increase in quality of contraction schemes found has significant practical implications for the simulation of quantum many-body systems and particularly for the benchmarking of new quantum chips. Concretely, we estimate a speed-up of over 10,000 × compared to the original expectation for the classical simulation of the Sycamore `supremacy' circuits.

DOI
10.22331/q-2021-03-15-410

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Tensor networks represent the state-of-the-art in computational methods across many disciplines, including the classical simulation of quantum many-body systems and quantum circuits. Several applications of current interest give rise to tensor networks with irregular geometries. Finding the best possible contraction path for such networks is a central problem, with an exponential effect on computation time and memory footprint. In this work, we implement new randomized protocols that find very high quality contraction paths for arbitrary and large tensor networks. We test our methods on a variety of benchmarks, including the random quantum circuit instances recently implemented on Google quantum chips. We find that the paths obtained can be very close to optimal, and often many orders or magnitude better than the most established approaches. As different underlying geometries suit different methods, we also introduce a hyper-optimization approach, where both the method applied and its algorithmic parameters are tuned during the path finding. The increase in quality of contraction schemes found has significant practical implications for the simulation of quantum many-body systems and particularly for the benchmarking of new quantum chips. Concretely, we estimate a speed-up of over 10,000 × compared to the original expectation for the classical simulation of the Sycamore `supremacy' circuits.
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.
Tensors are a natural generalization of matrices, and tensor networks are a natural generalization of matrix products. Despite the simple definition of tensor networks, they are versatile enough to represent many different kinds of "products" that arise in various theoretical and practical problems. In particular, the powerful computational model of quantum computation can be defined almost entirely in terms of matrix products and tensor products, both of which are special cases of tensor networks. As such, (classical) algorithms for evaluating tensor networks have profound importance in the study of quantum computation. In this thesis, we design and implement a parallel algorithm for tensor network contraction. In addition to finding efficient contraction orders for a tensor network, we also dynamically slice it into multiple sub-tasks with lower space and time costs, in order to evaluate the tensor network in parallel. We refer to such an evaluation strategy as a contraction scheme for the tensor network. In addition, we introduce a local optimization procedure that improves the efficiency of the contraction schemes we find. We also investigate the applications of our parallel tensor network contraction algorithm in quantum computation. The most ready application is the simulation of random quantum supremacy circuits, where we benchmark our algorithm to demonstrate its advantage over other similar tensor network based simulators. Other applications we found include evaluating the energy function of a Quantum Approximate Optimization Algorithm (QAOA), and simulating surface codes under a realistic error model with crosstalk.
The ability to efficiently simulate random quantum circuits using a classical computer is increasingly important for developing noisy intermediate-scale quantum devices. Here, we present a tensor network states based algorithm specifically designed to compute amplitudes for random quantum circuits with arbitrary geometry. Singular value decomposition based compression together with a two-sided circuit evolution algorithm are used to further compress the resulting tensor network. To further accelerate the simulation, we also propose a heuristic algorithm to compute the optimal tensor contraction path. We demonstrate that our algorithm is up to 2 orders of magnitudes faster than the Schrödinger-Feynman algorithm for verifying random quantum circuits on the 53-qubit Sycamore processor, with circuit depths below 12. We also simulate larger random quantum circuits with up to 104 qubits, showing that this algorithm is an ideal tool to verify relatively shallow quantum circuits on near-term quantum computers.
Parallel tensor network contraction algorithms have emerged as the pivotal benchmarks for assessing the classical limits of computation, exemplified by Google's demonstration of quantum supremacy through random circuit sampling. However, the massive parallelization of the algorithm makes it vulnerable to computer node failures. In this work, we apply coded computing to a practical parallel tensor network contraction algorithm. To the best of our knowledge, this is the first attempt to code tensor network contractions. Inspired by matrix multiplication codes, we provide two coding schemes: 2-node code for practicality in quantum simulation and hyperedge code for generality. Our 2-node code successfully achieves significant gain for f-resilient number compared to naive replication, proportional to both the number of node failures and the dimension product of sliced indices. Our hyperedge code can cover tensor networks out of the scope of quantum, with degraded gain in the exchange of its generality.
Tensor Networks are graph representations of summation expressions in which vertices represent tensors and edges represent tensor indices or vector spaces. In this work, we present EinExprs.jl, a Julia package for contraction path optimization that offers state-of-art optimizers. We propose a representation of the contraction path of a Tensor Network based on symbolic expressions. Using this package the user may choose among a collection of different methods such as Greedy algorithms, or an approach based on the hypergraph partitioning problem. We benchmark this library with examples obtained from the simulation of Random Quantum Circuits (RQC), a well known example where Tensor Networks provide state-of-the-art methods.
We derive a rigorous upper bound on the classical computation time of finite-ranged tensor network contractions in d≥2 dimensions. Consequently, we show that quantum circuits of single-qubit and finite-ranged two-qubit gates can be classically simulated in subexponential time in the number of gates. Moreover, we present and implement an algorithm guaranteed to meet our bound and which finds contraction orders with vastly lower computational times in practice. In practically relevant cases this beats standard simulation schemes and, for certain quantum circuits, also a state-of-the-art method. Specifically, our algorithm leads to speedups of several orders of magnitude over naive contraction schemes for two-dimensional quantum circuits on as little as an 8×8 lattice. We obtain similarly efficient contraction schemes for Google's Sycamore-type quantum circuits, instantaneous quantum polynomial-time circuits, and nonhomogeneous (2+1)-dimensional random quantum circuits.