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1. Optimization of Simultaneous Measurement for Variational Quantum Eigensolver Applications

   https://doi.org/10.1109/QCE49297.2020.00054  

   Gokhale, Pranav; Angiuli, Olivia; Ding, Yongshan; Gui, Kaiwen; Tomesh, Teague; Suchara, Martin; Martonosi, Margaret; Chong, Frederic T. (October 2020, 2020 IEEE International Conference on Quantum Computing and Engineering (QCE))

   null (Ed.)

   Variational quantum eigensolver (VQE) is a promising algorithm suitable for near-term quantum computers. VQE aims to approximate solutions to exponentially-sized optimization problems by executing a polynomial number of quantum subproblems. However, the number of subproblems scales as N 4 for typical problems of interest-a daunting growth rate that poses a serious limitation for emerging applications such as quantum computational chemistry. We mitigate this issue by exploiting the simultaneous measurability of subproblems corresponding to commuting terms. Our technique transpiles VQE instances into a format optimized for simultaneous measurement, ultimately yielding 8-30x lower cost. Our work also encompasses a synthesis tool for compiling simultaneous measurement circuits with minimal overhead. We demonstrate experimental validation of our techniques by estimating the ground state energy of deuteron with a quantum computer. We also investigate the underlying statistics of simultaneous measurement and devise an adaptive strategy for mitigating harmful covariance terms. 

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2. Avoiding symmetry roadblocks and minimizing the measurement overhead of adaptive variational quantum eigensolvers

   https://doi.org/10.22331/q-2023-06-12-1040  

   Shkolnikov, V. O.; Mayhall, Nicholas J.; Economou, Sophia E.; Barnes, Edwin (June 2023, Quantum)

   Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is crucial to achieving this goal. A promising class of algorithms for this purpose consists of variational quantum eigensolvers (VQEs). Among these, problem-tailored versions such as ADAPT-VQE that build variational ansätze step by step from a predefined operator pool perform particularly well in terms of circuit depths and variational parameter counts. However, this improved performance comes at the expense of an additional measurement overhead compared to standard VQEs. Here, we show that this overhead can be reduced to an amount that grows only linearly with the number $n$of qubits, instead of quartically as in the original ADAPT-VQE. We do this by proving that operator pools of size $2n-2$can represent any state in Hilbert space if chosen appropriately. We prove that this is the minimal size of such complete pools, discuss their algebraic properties, and present necessary and sufficient conditions for their completeness that allow us to find such pools efficiently. We further show that, if the simulated problem possesses symmetries, then complete pools can fail to yield convergent results, unless the pool is chosen to obey certain symmetry rules. We demonstrate the performance of such symmetry-adapted complete pools by using them in classical simulations of ADAPT-VQE for several strongly correlated molecules. Our findings are relevant for any VQE that uses an ansatz based on Pauli strings. 

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3. Contextual Subspace Variational Quantum Eigensolver

   https://doi.org/10.22331/q-2021-05-14-456  

   Kirby, William M.; Tranter, Andrew; Love, Peter J. (May 2021, Quantum)

   null (Ed.)

   We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contribution is obtained by using the variational quantum eigensolver (VQE) technique to compute a contextual correction on a quantum processor. In general the VQE computation of the contextual correction uses fewer qubits and measurements than the VQE computation of the original problem. Varying the number of qubits used for the contextual correction adjusts the quality of the approximation. We simulate CS-VQE on tapered Hamiltonians for small molecules, and find that the number of qubits required to reach chemical accuracy can be reduced by more than a factor of two. The number of terms required to compute the contextual correction can be reduced by more than a factor of ten, without the use of other measurement reduction schemes. This indicates that CS-VQE is a promising approach for eigenvalue computations on noisy intermediate-scale quantum devices. 

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4. QuantumNAS: Noise-Adaptive Search for Robust Quantum Circuits

   https://doi.org/10.1109/HPCA53966.2022.00057  

   Wang, Hanrui; Ding, Yongshan; Gu, Jiaqi; Lin, Yujun; Pan, David Z.; Chong, Frederic T.; Han, Song (April 2022, 2022 IEEE International Symposium on High-Performance Computer Architecture (HPCA))

   Quantum noise is the key challenge in Noisy Intermediate-Scale Quantum (NISQ) computers. Previous work for mitigating noise has primarily focused on gate-level or pulse-level noise-adaptive compilation. However, limited research has explored a higher level of optimization by making the quantum circuits themselves resilient to noise.In this paper, we propose QuantumNAS, a comprehensive framework for noise-adaptive co-search of the variational circuit and qubit mapping. Variational quantum circuits are a promising approach for constructing quantum neural networks for machine learning and variational ansatzes for quantum simulation. However, finding the best variational circuit and its optimal parameters is challenging due to the large design space and parameter training cost. We propose to decouple the circuit search from parameter training by introducing a novel SuperCircuit. The SuperCircuit is constructed with multiple layers of pre-defined parameterized gates (e.g., U3 and CU3) and trained by iteratively sampling and updating the parameter subsets (SubCircuits) of it. It provides an accurate estimation of SubCircuits performance trained from scratch. Then we perform an evolutionary co-search of SubCircuit and its qubit mapping. The SubCircuit performance is estimated with parameters inherited from SuperCircuit and simulated with real device noise models. Finally, we perform iterative gate pruning and finetuning to remove redundant gates in a fine-grained manner.Extensively evaluated with 12 quantum machine learning (QML) and variational quantum eigensolver (VQE) benchmarks on 14 quantum computers, QuantumNAS significantly outperforms noise-unaware search, human, random, and existing noise-adaptive qubit mapping baselines. For QML tasks, QuantumNAS is the first to demonstrate over 95% 2-class, 85% 4-class, and 32% 10-class classification accuracy on real quantum computers. It also achieves the lowest eigenvalue for VQE tasks on H 2 , H 2 O, LiH, CH 4 , BeH 2 compared with UCCSD baselines. We also open-source the TorchQuantum library for fast training of parameterized quantum circuits to facilitate future research. 

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5. Not All SWAPs Have the Same Cost: A Case for Optimization-Aware Qubit Routing

   https://doi.org/10.1109/HPCA53966.2022.00058  

   Liu, Ji; Li, Peiyi; Zhou, Huiyang (April 2022, 2022 IEEE International Symposium on High-Performance Computer Architecture (HPCA))

   Despite rapid advances in quantum computing technologies, the qubit connectivity limitation remains to be a critical challenge. Both near-term NISQ quantum computers and relatively long-term scalable quantum architectures do not offer full connectivity. As a result, quantum circuits may not be directly executed on quantum hardware, and a quantum compiler needs to perform qubit routing to make the circuit compatible with the device layout. During the qubit routing step, the compiler inserts SWAP gates and performs circuit transformations. Given the connectivity topology of the target hardware, there are typically multiple qubit routing candidates. The state-of-the-art compilers use a cost function to evaluate the number of SWAP gates for different routes and then select the one with the minimum number of SWAP gates. After qubit routing, the quantum compiler performs gate optimizations upon the circuit with the newly inserted SWAP gates. In this paper, we observe that the aforementioned qubit routing is not optimal, and qubit routing should not be independent on subsequent gate optimizations. We find that with the consideration of gate optimizations, not all of the SWAP gates have the same basis-gate cost. These insights lead to the development of our qubit routing algorithm, NASSC (Not All Swaps have the Same Cost). NASSC is the first algorithm that considers the subsequent optimizations during the routing step. Our optimization-aware qubit routing leads to better routing decisions and benefits subsequent optimizations. We also propose a new optimization-aware decomposition for the inserted SWAP gates. Our experiments show that the routing overhead compiled with our routing algorithm is reduced by up to 69.30% (21.30% on average) in the number of CNOT gates and up to 43.50% (7.61% on average) in the circuit depth compared with the state-of-the-art scheme, SABRE. 

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