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IEEE Transactions on Quantum Engineering

Parallelizing Quantum Simulation With Decision Diagrams

Shaowen Li, Yusuke Kimura, Hiroyuki Satō, Masahiro Fujita

Published Jan 1, 2024• 7 citations
Publisher

Abstract

Since people became aware of the power of quantum phenomena in the domain of traditional computation, a great number of complex problems that were once considered intractable in the classical world have been tackled. The downsides of quantum supremacy are its high cost and unpredictability. In order to obtain a stronger control over quantum interactions(by reducing its noise) and reduce its cost, numerous researchers are relying on quantum simulators running on classical computers. The critical obstacle facing classical computers in the task of quantum simulation is its limited memory space. Quantum simulation intrinsically models the state evolution of quantum subsystems, i.e., qubits. Qubits are mathematically constructed in Hilbert space whose size grows exponentially with its number. Consequently, the scalability of the straightforward statevector approach is limited. It has been proven effective to adopt decision diagrams to mitigate the memory cost issue in various fields. In recent years, researchers have adapted decision diagrams into different forms for representing quantum states and performing quantum calculations efficiently. This leads to the study of decision diagram based quantum simulation. However, their advantage of memory efficiency does not let it replace the mainstream statevector and tensor network based approaches. We argue the reason is the lack of effective parallelization strategies in performing calculations on decision diagrams. In this work, we explore several strategies for parallelizing decision diagram operations with the focus on leveraging them for quantum simulations. The target is to find the optimal parallelization strategies and improve the performance of decision diagram based quantum simulation. Based on the experiment results, our proposed strategy achieves a 2-3 times faster simulation of Grover's algorithm and random circuits than the state-of-the-art single-thread DD-based simulator DDSIM.

DOI
10.1109/tqe.2024.3364546

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Since people became aware of the power of quantum phenomena in the domain of traditional computation, a great number of complex problems that were once considered intractable in the classical world have been tackled. The downsides of quantum supremacy are its high cost and unpredictability. In order to obtain a stronger control over quantum interactions(by reducing its noise) and reduce its cost, numerous researchers are relying on quantum simulators running on classical computers. The critical obstacle facing classical computers in the task of quantum simulation is its limited memory space. Quantum simulation intrinsically models the state evolution of quantum subsystems, i.e., qubits. Qubits are mathematically constructed in Hilbert space whose size grows exponentially with its number. Consequently, the scalability of the straightforward statevector approach is limited. It has been proven effective to adopt decision diagrams to mitigate the memory cost issue in various fields. In recent years, researchers have adapted decision diagrams into different forms for representing quantum states and performing quantum calculations efficiently. This leads to the study of decision diagram based quantum simulation. However, their advantage of memory efficiency does not let it replace the mainstream statevector and tensor network based approaches. We argue the reason is the lack of effective parallelization strategies in performing calculations on decision diagrams. In this work, we explore several strategies for parallelizing decision diagram operations with the focus on leveraging them for quantum simulations. The target is to find the optimal parallelization strategies and improve the performance of decision diagram based quantum simulation. Based on the experiment results, our proposed strategy achieves a 2-3 times faster simulation of Grover's algorithm and random circuits than the state-of-the-art single-thread DD-based simulator DDSIM.
Recent technological advancements show promise in leveraging quantum mechanical phenomena for computation. This brings substantial speed-ups to problems that are once considered to be intractable in the classical world. However, the physical realization of quantum computers is still far away from us, and a majority of research work is done using quantum simulators running on classical computers. Classical computers face a critical obstacle in simulating quantum algorithms. Quantum states reside in a Hilbert space whose size grows exponentially to the number of subsystems, i.e., qubits. As a result, the straightforward statevector approach does not scale due to the exponential growth of the memory requirement. Decision diagrams have gained attention in recent years for representing quantum states and operations in quantum simulations. The main advantage of this approach is its ability to exploit redundancy. However, mainstream quantum simulators still rely on statevectors or tensor networks. We consider the absence of decision diagrams due to the lack of parallelization strategies. This work explores several strategies for parallelizing decision diagram operations, specifically for quantum simulations. We propose optimal parallelization strategies. Based on the experiment results, our parallelization strategy achieves a 2-3 times faster simulation of Grover’s algorithm and random circuits than the state-of-the-art single-thread DD-based simulator DDSIM.
Quantum computers promise to solve important problems faster than conventional computers ever could. Underneath is a fundamentally different computational primitive that introduces new challenges for the development of software tools that aid designers of corresponding quantum algorithms. The different computational primitives render classical simulation of quantum circuits particularly challenging. While the logic simulation of conventional circuits is comparatively simple with linear complexity with respect to the number of gates, quantum circuit simulation has to deal with the exponential memory requirements to represent quantum states on non-quantum hardware with respect to the number of qubits. Decision Diagrams (DDs) address this challenge through exploitation of redundancies in matrices and vectors to provide significantly more compact representations in many cases. Moreover, the probabilistic nature of quantum computations enables another angle to tackle the complexity: Quantum algorithms are resistant to some degree against small inaccuracies in the quantum state as these only lead to small changes in the outcome probabilities. We propose to exploit this resistance against (small) errors to gain even more compact decision diagrams. In this work, we investigate the potential of approximation in quantum circuit simulation in detail. To this end, we first present four dedicated schemes that exploit the error resistance and efficiently approximate quantum states represented by decision diagrams. Subsequently, we propose two simulation strategies that utilize those approximations schemes in order to improve the efficiency of DD-based quantum circuit simulation, while, at the same time, allowing the user to control the resulting degradation in accuracy. We empirically show that the proposed approximation schemes reduce the size of decision diagrams substantially and also analytically prove the effect of multiple approximations on the attained accuracy. Eventually, this enables speed-ups of the resulting approximate quantum circuit simulation of up to several orders of magnitudes—again, while controlling the fidelity of the result.
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.
Classical simulation remains essential for the development of quantum algorithms; however, traditional matrix-based methods struggle with scalability. While the Fast Tensor Decision Diagram (FTDD) framework offers a hybrid approach by combining the strengths of Tensor Networks and Decision Diagrams (DDs) for memory-efficient simulation, its core operations are often bottlenecked by memory management structures. Our primary motivation is to address the high computational and spatial cost associated with the hash tables, as well as to simplify the complexity of the simulation workflow. This work introduces systematic, low-level optimizations to the framework. Our main contribution is the enhancement of the memory management layer for the internal tables. We implemented a node reuse mechanism and designed a controlled strategy for hash table growth. These improvements minimize the memory footprint and reduce the costly hashing overhead inherent in DD-based simulators. We performed a thorough experimental analysis using a diverse set of quantum circuits, which were characterized by well-established metrics. Experimental results demonstrate that our enhancements improve the tool's performance and scalability. Notably, these advancements enable the simulation of complex circuits, such as Quantum Fourier Transform, with hundreds of qubits, on a standard server with 2-Tb of memory.
Since quantum computers can solve important problems faster than classical computers, many resources have gone into the development of this technology in recent decades. Despite the tremendous progress that has already been made toward the development of quantum computers, they are still an emerging technology, which restricts access and reliability. Thus, research on quantum algorithms still heavily relies on quantum circuit simulators that run on classical hardware. However, simulating the execution of a quantum computer on conventional hardware is exponentially difficult, which is also the reason why quantum computing is an interesting technology in the first place. Particularly complex is noise-aware simulation of quantum computers, i.e., the consideration of noise effects that are common in today’s quantum hardware during quantum circuit simulation. In this work, we investigate the use of decision diagrams for this task. To this end, we present two distinct approaches for noise-aware quantum circuit simulation, investigate how they can be realized using decision diagrams, and implement decision diagram-based solutions for each of the presented noise-aware simulation schemes. In an extensive evaluation, we unveil potential for further improvements and also demonstrate substantial speed-ups compared to the current state of the art.
To efficiently develop algorithms for quantum com-puters, a quantum simulator capable of handling many qubits at high speed is essential. However, a state vector-based simulator needs to store a vector of length2N2^{N}2NforNNNqubits. In today's typical desktop computing environment, a maximum of around 30 qubits can be handled. A decision diagram-based simulator is expected to solve the problem of memory requirement for some set of quantum algorithms. Decision diagram stores state vectors as graphs, which may significantly reduce memory usage in the presence of regularities in the state vector. In this study, we have implemented our decision diagram-based quantum simulator and conducted experiments using various algorithms to compare with the state vector-based simulator. Algorithms such as Grover and Shor show significant speedup and superiority of performance for larger numbers of qubits, whereas random circuits with many parameterized rotation gates show slower performance. As described above, researchers should understand the characteristics of simulators so that quantum algorithms can be developed more efficiently.