Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Optimization and Simulation of Quantum Circuits

Mingkuan Xu

Published Jul 29, 2026• 0 citations
Publisher

Abstract

Optimizing and simulating quantum circuits at scale are critical bottlenecks in realizing the full potential of quantum computing. This thesis delivers a comprehensive suite of systems to overcome these limitations, spanning both physical compilation and classical simulation. For quantum circuit optimization, we first automate the discovery and verification of transformation rules by introducing Equivalence Circuit Class (ECC) sets and an efficient generation algorithm for arbitrary gate sets. We deploy these rules within the superoptimizer Quartz, which utilizes a cost-based backtracking search to escape local minima that trap traditional rule-based methods. To eliminate the exponential runtime penalties inherent to pure search, we introduce QALM, a hybrid optimization framework. By unifying search-based exploration with greedy rule-based exploitation in an interleaved control loop, QALM dynamically escapes local minima without exhaustive backtracking. Evaluated across a large benchmark suite of 248 diverse circuits, QALM outperforms existing search-based optimizers in final circuit quality while operating with the computational efficiency of rule-based systems. While the prior two approaches aim for global optimization, this problem is intrinsically QMA-hard, creating a bottleneck for large programs. To circumvent this issue and scale up, we introduce OAC, a cut-and-meld circuit optimization algorithm. OAC cuts a circuit into subcircuits, applies an existing oracle optimizer independently, and seamlessly melds the results. This algorithm operates with a linear number of oracle calls while attaining local optimality. Empirical evaluation shows that OAC significantly improves the efficiency of state-of-the-art optimizers while enhancing overall quality. Beyond physical execution, the scalable simulation of quantum circuits on classical hardware presents another major challenge. To address this, we present Atlas, a distributed GPU-based simulator that hierarchically partitions circuits to exploit data parallelism while minimizing communication overhead. By leveraging integer linear programming to allocate structurally related gates to nearby GPUs and dynamic programming for kernel scheduling, Atlas runs significantly faster than prior state-of-the-art GPU simulators. Together, these frameworks provide a robust toolchain, improving both the execution of quantum circuits on physical devices and their scalable classical simulation.

DOI
10.1184/r1/33062345

Related papers

Local Optimization of Quantum Circuits (Extended Version)

Jatin Arora, Mingkuan Xu, Sam Westrick +4 more

Recent advances in quantum architectures and computing have motivated the development of new optimizing compilers for quantum programs or circuits. Even though steady progress has been made, existing quantum optimization techniques remain asymptotically and practically inefficient and are unable to offer guarantees on the quality of the optimization. Because many global quantum circuit optimization problems belong to the complexity class QMA (the quantum analog of NP), it is not clear whether quality and efficiency guarantees can both be achieved. In this paper, we present optimization techniques for quantum programs that can offer both efficiency and quality guarantees. Rather than requiring global optimality, our approach relies on a form of local optimality that requires each and every segment of the circuit to be optimal. We show that the local optimality notion can be attained by a cut-and-meld circuit optimization algorithm. The idea behind the algorithm is to cut a circuit into subcircuits, optimize each subcircuit independently by using a specified "oracle" optimizer, and meld the subcircuits by optimizing across the cuts lazily as needed. We specify the algorithm and prove that it ensures local optimality. To prove efficiency, we show that, under some assumptions, the main optimization phase of the algorithm requires a linear number of calls to the oracle optimizer. We implement and evaluate the local-optimality approach to circuit optimization and compare with the state-of-the-art optimizers. The empirical results show that our cut-and-meld algorithm can outperform existing optimizers significantly, by more than an order of magnitude on average, while also slightly improving optimization quality. These results show that local optimality can be a relatively strong optimization criterion and can be attained efficiently.

arXiv:2502.19526•Feb 26, 2025•0 citations

QALM: Escaping Local Minima via Interleaved Exploration and Exploitation in Quantum Circuit Optimization

Aidan Wagner, Mingkuan Xu, Pengyu Liu +2 more

Quantum circuit optimizers face a fundamental limitation in how they tolerate temporary cost increases. At one extreme, greedy rule-based optimizers immediately apply any cost-reducing transformation, achieving high efficiency but quickly becoming trapped in local minima. At the other extreme, search-based optimizers accept cost-increasing moves to explore the circuit space and escape such minima. However, because search-based optimizers cannot determine within a reasonable time budget whether a given point is promising, that is, whether its neighborhood contains a deeper local minimum, they must blindly explore higher-cost regions. As a result, escaping the current basin to reach a promising point takes exponentially many steps. In this work, we show that this limitation can be overcome with a hybrid framework that interleaves the exhaustive exploration capabilities of search algorithms with the efficiency of rule-based optimization. We implement this framework as QALM, a novel optimizer designed to escape local minima without incurring the runtime penalties of pure search. Crucially, our results demonstrate that QALM does not merely strike a balance; it outperforms existing rule-based and search-based optimizers in circuit reduction rates while operating with the computational efficiency of rule-based systems. In a comprehensive evaluation across 248 circuits, QALM matches or exceeds the fidelity of the strongest baseline on 83.9% of these circuits, given the same time budget.

quant-pharXiv:2606.16221•Jun 16, 2026•0 citations

Local Optimization of Quantum Circuits

Jatin Arora, Mingkuan Xu, Sam Westrick +4 more

Recent advances in quantum architectures and computing have motivated the development of new optimizing compilers for quantum programs or circuits. Even though steady progress has been made, existing quantum optimization techniques remain asymptotically and practically inefficient. Because many global quantum circuit optimization problems belong to the complexity class QMA (the quantum analog of NP) [51], it is not clear whether efficiency guarantees can be achieved. In this paper, we present an algorithm that achieves efficiency by aiming at a form of local optimality rather than global optimality. Our local-optimization algorithm cuts a circuit into subcircuits, optimizes each subcircuit with the specified oracle optimizer, and melds the subcircuits by optimizing across the cuts lazily as needed. To prove efficiency, we show that, under some assumptions, the main optimization phase of the algorithm requires a linear number of calls to the oracle optimizer. Our empirical results show that our local-optimization algorithm can outperform existing optimizers significantly, by more than an order of magnitude on average. Perhaps surprisingly, the algorithm achieves these improvements without noticeable degradation in optimization quality. These results show that local optimization can be effective for optimizing quantum circuits.

IEEE International Conference on Quantum Computing and Engineering (QCE)•Aug 30, 2025•2 citations

Large-Scale Quantum Circuit Simulation on HPC Cluster via Cache Blocking, Boosting, and Gate Fusion Optimization

Chuan-Chi Wang, Yan-Jie Wang, Chia-Heng Tu +1 more

Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for prototyping and debugging, it poses challenges because of the exponential increase in simulation time for large quantum systems. In this work, we propose an extensible framework designed to enhance simulation performance by optimizing both data locality and computational efficiency, thereby addressing these challenges. This framework is seamlessly integrated with an optimizer that restructures quantum circuits and a simulator that adjusts execution strategies for various quantum operations. For the newly developed components, merge booster and diagonal detector, the underlying algorithms are inspired by the principles of quantum entanglement and gate fusion, as well as by the limitations identified in existing third-party simulation libraries. The experiments were conducted on eight DGX-H100 workstations, each equipped with eight NVIDIA H100 GPUs, employing both gate-level and circuit-level benchmarks. The results indicate a speedup of up to 160 times for circuit-level benchmarks and an acceleration of up to 34 times for diagonal-heavy gate-level benchmarks compared to existing simulators. The proposed methodologies are anticipated to deliver more robust and faster quantum circuit simulations, thereby fostering the advancement of novel quantum algorithms.

quant-pharXiv:2604.12256•Proceedings of the International Conference on Parallel Processing•Apr 15, 2026•0 citations

QGo: Scalable Quantum Circuit Optimization Using Automated Synthesis

Xin-Chuan Wu, Davis, Marc Grau, Frederic T. Chong +1 more

The current phase of quantum computing is in the Noisy Intermediate-Scale Quantum (NISQ) era. On NISQ devices, two-qubit gates such as CNOTs are much noisier than single-qubit gates, so it is essential to minimize their count. Quantum circuit synthesis is a process of decomposing an arbitrary unitary into a sequence of quantum gates, and can be used as an optimization tool to produce shorter circuits to improve overall circuit fidelity. However, the time-to-solution of synthesis grows exponentially with the number of qubits. As a result, synthesis is intractable for circuits on a large qubit scale. In this paper, we propose a hierarchical, block-by-block optimization framework, QGo, for quantum circuit optimization. Our approach allows an exponential cost optimization to scale to large circuits. QGo uses a combination of partitioning and synthesis: 1) partition the circuit into a sequence of independent circuit blocks; 2) re-generate and optimize each block using quantum synthesis; and 3) re-compose the final circuit by stitching all the blocks together. We perform our analysis and show the fidelity improvements in three different regimes: small-size circuits on real devices, medium-size circuits on noise simulations, and large-size circuits on analytical models. Using a set of NISQ benchmarks, we show that QGo can reduce the number of CNOT gates by 29.9% on average and up to 50% when compared with industrial compilers such as t|ket>. When executed on the IBM Athens system, shorter depth leads to higher circuit fidelity. We also demonstrate the scalability of our QGo technique to optimize circuits of 60+ qubits. Our technique is the first demonstration of successfully employing and scaling synthesis in the compilation toolchain for large circuits. Overall, our approach is robust for direct incorporation in production compiler toolchains.

arXiv:2012.09835•Dec 17, 2020•10 citations

Atlas: Hierarchical Partitioning for Quantum Circuit Simulation on GPUs (Extended Version)

Mingkuan Xu, Shiyi Cao, Xupeng Miao +2 more

This paper presents techniques for theoretically and practically efficient and scalable Schrödinger-style quantum circuit simulation. Our approach partitions a quantum circuit into a hierarchy of subcircuits and simulates the subcircuits on multi-node GPUs, exploiting available data parallelism while minimizing communication costs. To minimize communication costs, we formulate an Integer Linear Program that rewards simulation of "nearby" gates on "nearby" GPUs. To maximize throughput, we use a dynamic programming algorithm to compute the subcircuit simulated by each kernel at a GPU. We realize these techniques in Atlas, a distributed, multi-GPU quantum circuit simulator. Our evaluation on a variety of quantum circuits shows that Atlas outperforms state-of-the-art GPU-based simulators by more than 2$\times$ on average and is able to run larger circuits via offloading to DRAM, outperforming other large-circuit simulators by two orders of magnitude.

arXiv:2408.09055•Aug 17, 2024•2 citations
Optimizing and simulating quantum circuits at scale are critical bottlenecks in realizing the full potential of quantum computing. This thesis delivers a comprehensive suite of systems to overcome these limitations, spanning both physical compilation and classical simulation. For quantum circuit optimization, we first automate the discovery and verification of transformation rules by introducing Equivalence Circuit Class (ECC) sets and an efficient generation algorithm for arbitrary gate sets. We deploy these rules within the superoptimizer Quartz, which utilizes a cost-based backtracking search to escape local minima that trap traditional rule-based methods. To eliminate the exponential runtime penalties inherent to pure search, we introduce QALM, a hybrid optimization framework. By unifying search-based exploration with greedy rule-based exploitation in an interleaved control loop, QALM dynamically escapes local minima without exhaustive backtracking. Evaluated across a large benchmark suite of 248 diverse circuits, QALM outperforms existing search-based optimizers in final circuit quality while operating with the computational efficiency of rule-based systems. While the prior two approaches aim for global optimization, this problem is intrinsically QMA-hard, creating a bottleneck for large programs. To circumvent this issue and scale up, we introduce OAC, a cut-and-meld circuit optimization algorithm. OAC cuts a circuit into subcircuits, applies an existing oracle optimizer independently, and seamlessly melds the results. This algorithm operates with a linear number of oracle calls while attaining local optimality. Empirical evaluation shows that OAC significantly improves the efficiency of state-of-the-art optimizers while enhancing overall quality. Beyond physical execution, the scalable simulation of quantum circuits on classical hardware presents another major challenge. To address this, we present Atlas, a distributed GPU-based simulator that hierarchically partitions circuits to exploit data parallelism while minimizing communication overhead. By leveraging integer linear programming to allocate structurally related gates to nearby GPUs and dynamic programming for kernel scheduling, Atlas runs significantly faster than prior state-of-the-art GPU simulators. Together, these frameworks provide a robust toolchain, improving both the execution of quantum circuits on physical devices and their scalable classical simulation.
Recent advances in quantum architectures and computing have motivated the development of new optimizing compilers for quantum programs or circuits. Even though steady progress has been made, existing quantum optimization techniques remain asymptotically and practically inefficient and are unable to offer guarantees on the quality of the optimization. Because many global quantum circuit optimization problems belong to the complexity class QMA (the quantum analog of NP), it is not clear whether quality and efficiency guarantees can both be achieved. In this paper, we present optimization techniques for quantum programs that can offer both efficiency and quality guarantees. Rather than requiring global optimality, our approach relies on a form of local optimality that requires each and every segment of the circuit to be optimal. We show that the local optimality notion can be attained by a cut-and-meld circuit optimization algorithm. The idea behind the algorithm is to cut a circuit into subcircuits, optimize each subcircuit independently by using a specified "oracle" optimizer, and meld the subcircuits by optimizing across the cuts lazily as needed. We specify the algorithm and prove that it ensures local optimality. To prove efficiency, we show that, under some assumptions, the main optimization phase of the algorithm requires a linear number of calls to the oracle optimizer. We implement and evaluate the local-optimality approach to circuit optimization and compare with the state-of-the-art optimizers. The empirical results show that our cut-and-meld algorithm can outperform existing optimizers significantly, by more than an order of magnitude on average, while also slightly improving optimization quality. These results show that local optimality can be a relatively strong optimization criterion and can be attained efficiently.
Quantum circuit optimizers face a fundamental limitation in how they tolerate temporary cost increases. At one extreme, greedy rule-based optimizers immediately apply any cost-reducing transformation, achieving high efficiency but quickly becoming trapped in local minima. At the other extreme, search-based optimizers accept cost-increasing moves to explore the circuit space and escape such minima. However, because search-based optimizers cannot determine within a reasonable time budget whether a given point is promising, that is, whether its neighborhood contains a deeper local minimum, they must blindly explore higher-cost regions. As a result, escaping the current basin to reach a promising point takes exponentially many steps. In this work, we show that this limitation can be overcome with a hybrid framework that interleaves the exhaustive exploration capabilities of search algorithms with the efficiency of rule-based optimization. We implement this framework as QALM, a novel optimizer designed to escape local minima without incurring the runtime penalties of pure search. Crucially, our results demonstrate that QALM does not merely strike a balance; it outperforms existing rule-based and search-based optimizers in circuit reduction rates while operating with the computational efficiency of rule-based systems. In a comprehensive evaluation across 248 circuits, QALM matches or exceeds the fidelity of the strongest baseline on 83.9% of these circuits, given the same time budget.
Recent advances in quantum architectures and computing have motivated the development of new optimizing compilers for quantum programs or circuits. Even though steady progress has been made, existing quantum optimization techniques remain asymptotically and practically inefficient. Because many global quantum circuit optimization problems belong to the complexity class QMA (the quantum analog of NP) [51], it is not clear whether efficiency guarantees can be achieved. In this paper, we present an algorithm that achieves efficiency by aiming at a form of local optimality rather than global optimality. Our local-optimization algorithm cuts a circuit into subcircuits, optimizes each subcircuit with the specified oracle optimizer, and melds the subcircuits by optimizing across the cuts lazily as needed. To prove efficiency, we show that, under some assumptions, the main optimization phase of the algorithm requires a linear number of calls to the oracle optimizer. Our empirical results show that our local-optimization algorithm can outperform existing optimizers significantly, by more than an order of magnitude on average. Perhaps surprisingly, the algorithm achieves these improvements without noticeable degradation in optimization quality. These results show that local optimization can be effective for optimizing quantum circuits.
Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for prototyping and debugging, it poses challenges because of the exponential increase in simulation time for large quantum systems. In this work, we propose an extensible framework designed to enhance simulation performance by optimizing both data locality and computational efficiency, thereby addressing these challenges. This framework is seamlessly integrated with an optimizer that restructures quantum circuits and a simulator that adjusts execution strategies for various quantum operations. For the newly developed components, merge booster and diagonal detector, the underlying algorithms are inspired by the principles of quantum entanglement and gate fusion, as well as by the limitations identified in existing third-party simulation libraries. The experiments were conducted on eight DGX-H100 workstations, each equipped with eight NVIDIA H100 GPUs, employing both gate-level and circuit-level benchmarks. The results indicate a speedup of up to 160 times for circuit-level benchmarks and an acceleration of up to 34 times for diagonal-heavy gate-level benchmarks compared to existing simulators. The proposed methodologies are anticipated to deliver more robust and faster quantum circuit simulations, thereby fostering the advancement of novel quantum algorithms.
The current phase of quantum computing is in the Noisy Intermediate-Scale Quantum (NISQ) era. On NISQ devices, two-qubit gates such as CNOTs are much noisier than single-qubit gates, so it is essential to minimize their count. Quantum circuit synthesis is a process of decomposing an arbitrary unitary into a sequence of quantum gates, and can be used as an optimization tool to produce shorter circuits to improve overall circuit fidelity. However, the time-to-solution of synthesis grows exponentially with the number of qubits. As a result, synthesis is intractable for circuits on a large qubit scale. In this paper, we propose a hierarchical, block-by-block optimization framework, QGo, for quantum circuit optimization. Our approach allows an exponential cost optimization to scale to large circuits. QGo uses a combination of partitioning and synthesis: 1) partition the circuit into a sequence of independent circuit blocks; 2) re-generate and optimize each block using quantum synthesis; and 3) re-compose the final circuit by stitching all the blocks together. We perform our analysis and show the fidelity improvements in three different regimes: small-size circuits on real devices, medium-size circuits on noise simulations, and large-size circuits on analytical models. Using a set of NISQ benchmarks, we show that QGo can reduce the number of CNOT gates by 29.9% on average and up to 50% when compared with industrial compilers such as t|ket>. When executed on the IBM Athens system, shorter depth leads to higher circuit fidelity. We also demonstrate the scalability of our QGo technique to optimize circuits of 60+ qubits. Our technique is the first demonstration of successfully employing and scaling synthesis in the compilation toolchain for large circuits. Overall, our approach is robust for direct incorporation in production compiler toolchains.
This paper presents techniques for theoretically and practically efficient and scalable Schrödinger-style quantum circuit simulation. Our approach partitions a quantum circuit into a hierarchy of subcircuits and simulates the subcircuits on multi-node GPUs, exploiting available data parallelism while minimizing communication costs. To minimize communication costs, we formulate an Integer Linear Program that rewards simulation of "nearby" gates on "nearby" GPUs. To maximize throughput, we use a dynamic programming algorithm to compute the subcircuit simulated by each kernel at a GPU. We realize these techniques in Atlas, a distributed, multi-GPU quantum circuit simulator. Our evaluation on a variety of quantum circuits shows that Atlas outperforms state-of-the-art GPU-based simulators by more than 2×\times× on average and is able to run larger circuits via offloading to DRAM, outperforming other large-circuit simulators by two orders of magnitude.