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.
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.
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.
Abstract. The contraction cost of a tensor network depends on the contraction order. However, the optimal contraction ordering problem is known to be NP-hard. We show that the linear contraction ordering problem for tree tensor networks admits a polynomial-time algorithm, by drawing connections to database join ordering. The result relies on the adjacent sequence interchange property of the contraction cost, which enables a global decision of the contraction order based on local comparisons. Based on that, we specify a modified version of the IKKBZ database join ordering algorithm to find the optimal tree tensor network linear contraction order. Finally, we extend our algorithm as a heuristic to general contraction orders and arbitrary tensor network topologies. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/stoianmihail/netzwerk and in the supplementary materials ( Netzwerk-main.zip [352KB]). [Formula: see text]
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.
Simulating quantum circuits on classical computers is a notoriously hard, yet increasingly important task for the development and testing of quantum algorithms. In order to alleviate this inherent complexity, efficient data structures and methods, such as tensor networks and decision diagrams, have been proposed. However, their efficiency heavily depends on the order in which the individual computations are performed. For tensor networks, the order is defined by so-called contraction plans and a plethora of methods has been developed to determine suitable plans. On the other hand, simulation based on decision diagrams is mostly conducted in a straight-forward, i.e., sequential, fashion thus far. In this work, we study the importance of the path that is chosen when simulating quantum circuits using decision diagrams and show, conceptually and experimentally, that choosing the right simulation path can make a vast difference in the efficiency of classical simulations using decision diagrams. We propose an open-source framework (available at github.com/cda-tum/ddsim) that not only allows to investigate of dedicated simulation paths but also to reuse of existing findings, e.g., obtained from determining contraction plans for tensor networks. Experimental evaluations show that translating strategies from the domain of tensor networks may yield speedups of several factors compared to the state of the art. Furthermore, we design a dedicated simulation path heuristic that allows to improve the performance even further—frequently yielding speedups of several orders of magnitude. Finally, we provide an extensive discussion on what can be learned from tensor networks and what cannot.
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
Simulation of quantum computing on supercomputers is a significant research topic, which plays a vital role in quantum algorithm verification, error-tolerant verification, and other applications. Tensor-network contraction based on density matrix is an important single-amplitude simulation strategy, but it is hard to execute on the distributed computing systems. In this paper, we studied the problem in detail, and propose a scheme based on cutting edges of undirected graphs. This scheme cuts edges of undirected graphs with large tree width to obtain many undirected subgraphs with small tree width, and these subgraphs contracted on different computing cores. The contraction results of slave cores are summarized in the master node, which is consistent with the original tensor-network contraction. Thus, we can simulate the larger scale quantum circuit than single core. Moreover, it is an NP-hard problem to find the global optimum cutting edges, and we propose a search strategy based on a heuristic algorithm to approach it. In order to verify the effectiveness of our scheme, we conduct tests based on the quantum approximation optimization algorithm (QAOA) and Shor's algorithm, and it can simulate a 120-qubit three-regular QAOA algorithm on a 4096-core supercomputer, which greatly exceeds the simulation scale on a single core of 100 qubits.