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Drug discovery and development is a highly complex and costly endeavor, typically requiring over a decade and substantial financial investment to bring a new drug to market. Traditional computer-aided drug design (CADD) has made significant progress in accelerating this process, but the development of quantum computing offers potential due to its unique capabilities. This paper discusses the integration of quantum computing into drug discovery and development, focusing on how quantum technologies might accelerate and enhance various stages of the drug development cycle. Specifically, we explore the application of quantum computing in addressing challenges related to drug discovery, such as molecular simulation and the prediction of drug-target interactions, as well as the optimization of clinical trial outcomes. By leveraging the inherent capabilities of quantum computing, we might be able to reduce the time and cost associated with bringing new drugs to market, ultimately benefiting public health., Comment: 27 pages, 10 figures

To enhance the variational quantum eigensolver (VQE), the CAFQA method can utilize classical computational capabilities to identify a better initial state than the Hartree-Fock method. Previous research has demonstrated that the initial state provided by CAFQA recovers more correlation energy than that of the Hartree-Fock method and results in faster convergence. In the present study, we advance the investigation of CAFQA by demonstrating its advantages on a high-fidelity trapped-ion quantum computer located at the Duke Quantum Center -- this is the first experimental demonstration of CAFQA-bootstrapped VQE on a TI device and on any academic quantum device. In our VQE experiment, we use LiH and BeH$_2$ as test cases to show that CAFQA achieves faster convergence and obtains lower energy values within the specified computational budget limits. To ensure the seamless execution of VQE on this academic device, we develop a novel hardware-software interface framework that supports independent software environments for both the circuit and hardware end. This mechanism facilitates the automation of VQE-type job executions as well as mitigates the impact of random hardware interruptions. This framework is versatile and can be applied to a variety of academic quantum devices beyond the trapped-ion quantum computer platform, with support for integration with customized packages.

Variational quantum algorithms (VQAs) show potential for quantum advantage in the near term of quantum computing, but demand a level of accuracy that surpasses the current capabilities of NISQ devices. To systematically mitigate the impact of quantum device error on VQAs, we propose Clapton: Clifford-Assisted Problem Transformation for Error Mitigation in Variational Quantum Algorithms. Clapton leverages classically estimated good quantum states for a given VQA problem, classical simulable models of device noise, and the variational principle for VQAs. It applies transformations on the VQA problem's Hamiltonian to lower the energy estimates of known good VQA states in the presence of the modeled device noise. The Clapton hypothesis is that as long as the known good states of the VQA problem are close to the problem's ideal ground state and the device noise modeling is reasonably accurate (both of which are generally true), then the Clapton transformation substantially decreases the impact of device noise on the ground state of the VQA problem, thereby increasing the accuracy of the VQA solution. Clapton is built as an end-to-end application-to-device framework and achieves mean VQA initialization improvements of 1.7x to 3.7x, and up to a maximum of 13.3x, over the state-of-the-art baseline when evaluated for a variety of scientific applications from physics and chemistry on noise models and real quantum devices.

Fault-tolerant quantum computation relies on the assumption of time-invariant, sufficiently low physical error rates. However, current superconducting quantum computers suffer from frequent disruptive noise events, including cosmic ray impacts and shifting two-level system defects. Several methods have been proposed to mitigate these issues in software, but they add large overheads in terms of physical qubit count, as it is difficult to preserve logical information through burst error events. We focus on mitigating multi-qubit burst errors in magic state factories, which are expected to comprise up to 95% of the space cost of future quantum programs. Our key insight is that magic state factories do not need to preserve logical information over time; once we detect an increase in local physical error rates, we can simply turn off parts of the factory that are affected, re-map the factory to the new chip geometry, and continue operating. This is much more efficient than previous more general methods, and is resilient even under many simultaneous impact events. Using precise physical noise models, we show an efficient ray detection method and evaluate our strategy in different noise regimes. Compared to existing baselines, we find reductions in ray-induced overheads by several orders of magnitude, reducing total qubitcycle cost by geomean 6.5x to 13.9x depending on the noise model. This work reduces the burden on hardware by providing low-overhead software mitigation of these errors., Comment: 13 pages, 12 figures

Recent work has shown the promise of applying deep learning to enhance software processing of radio frequency (RF) signals. In parallel, hardware developments with quantum RF sensors based on Rydberg atoms are breaking longstanding barriers in frequency range, resolution, and sensitivity. In this paper, we describe our implementations of quantum-ready machine learning approaches for RF signal classification. Our primary objective is latency: while deep learning offers a more powerful computational paradigm, it also traditionally incurs latency overheads that hinder wider scale deployment. Our work spans three axes. (1) A novel continuous wavelet transform (CWT) based recurrent neural network (RNN) architecture that enables flexible online classification of RF signals on-the-fly with reduced sampling time. (2) Low-latency inference techniques for both GPU and CPU that span over 100x reductions in inference time, enabling real-time operation with sub-millisecond inference. (3) Quantum-readiness validated through application of our models to physics-based simulation of Rydberg atom QRF sensors. Altogether, our work bridges towards next-generation RF sensors that use quantum technology to surpass previous physical limits, paired with latency-optimized AI/ML software that is suitable for real-time deployment.

Parameterized Quantum Circuits (PQC) have obtained increasing popularity thanks to their great potential for near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Achieving quantum advantages usually requires a large number of qubits and quantum circuits with enough capacity. However, limited coherence time and massive quantum noises severely constrain the size of quantum circuits that can be executed reliably on real machines. To address these two pain points, we propose QuantumSEA, an in-time sparse exploration for noise-adaptive quantum circuits, aiming to achieve two key objectives: (1) implicit circuits capacity during training - by dynamically exploring the circuit's sparse connectivity and sticking a fixed small number of quantum gates throughout the training which satisfies the coherence time and enjoy light noises, enabling feasible executions on real quantum devices; (2) noise robustness - by jointly optimizing the topology and parameters of quantum circuits under real device noise models. In each update step of sparsity, we leverage the moving average of historical gradients to grow necessary gates and utilize salience-based pruning to eliminate insignificant gates. Extensive experiments are conducted with 7 Quantum Machine Learning (QML) and Variational Quantum Eigensolver (VQE) benchmarks on 6 simulated or real quantum computers, where QuantumSEA consistently surpasses noise-aware search, human-designed, and randomly generated quantum circuit baselines by a clear performance margin. For example, even in the most challenging on-chip training regime, our method establishes state-of-the-art results with only half the number of quantum gates and ~2x time saving of circuit executions. Codes are available at https://github.com/VITA-Group/QuantumSEA., Comment: IEEE International Conference on Quantum Computing and Engineering (QCE 2023)

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions., Comment: 65 pages, 15 figures; comments welcome

Despite the necessity of fault-tolerant quantum sys- tems built on error correcting codes, many popular codes, such as the surface code, have prohibitively large qubit costs. In this work we present a protocol for efficiently implementing a restricted set of space-efficient quantum error correcting (QEC) codes in atom arrays. This protocol enables generalized-bicycle codes that require up to 10x fewer physical qubits than surface codes. Additionally, our protocol enables logical cycles that are 2-3x faster than more general solutions for implementing space- efficient QEC codes in atom arrays. We also evaluate a proof-of-concept quantum memory hier- archy where generalized-bicycle codes are used in conjunction with surface codes for general computation. Through a detailed compilation methodology, we estimate the costs of key fault- tolerant benchmarks in a hierarchical architecture versus a state-of-the-art surface code only architecture. Overall, we find the spatial savings of generalized-bicycle codes outweigh the overhead of loading and storing qubits, motivating the feasibility of a quantum memory hierarchy in practice. Through sensitivity studies, we also identify key program-level and hardware-level features for using a hierarchical architecture.

Quantum hardware suffers from high error rates and noise, which makes directly running applications on them ineffective. Quantum Error Correction (QEC) is a critical technique towards fault tolerance which encodes the quantum information distributively in multiple data qubits and uses syndrome qubits to check parity. Minimum-Weight-Perfect-Matching (MWPM) is a popular QEC decoder that takes the syndromes as input and finds the matchings between syndromes that infer the errors. However, there are two paramount challenges for MWPM decoders. First, as noise in real quantum systems can drift over time, there is a potential misalignment with the decoding graph's initial weights, leading to a severe performance degradation in the logical error rates. Second, while the MWPM decoder addresses independent errors, it falls short when encountering correlated errors typical on real hardware, such as those in the 2Q depolarizing channel. We propose DGR, an efficient decoding graph edge re-weighting strategy with no quantum overhead. It leverages the insight that the statistics of matchings across decoding iterations offer rich information about errors on real quantum hardware. By counting the occurrences of edges and edge pairs in decoded matchings, we can statistically estimate the up-to-date probabilities of each edge and the correlations between them. The reweighting process includes two vital steps: alignment re-weighting and correlation re-weighting. The former updates the MWPM weights based on statistics to align with actual noise, and the latter adjusts the weight considering edge correlations. Extensive evaluations on surface code and honeycomb code under various settings show that DGR reduces the logical error rate by 3.6x on average-case noise mismatch with exceeding 5000x improvement under worst-case mismatch., Comment: 13 pages, 19 figures

In order to achieve error rates necessary for advantageous quantum algorithms, Quantum Error Correction (QEC) will need to be employed, improving logical qubit fidelity beyond what can be achieved physically. As today's devices begin to scale, co-designing architectures for QEC with the underlying hardware will be necessary to reduce the daunting overheads and accelerate the realization of practical quantum computing. In this work, we focus on logical computation in QEC. We address quantum computers made from neutral atom arrays to design a surface code architecture that translates the hardware's higher physical connectivity into a higher logical connectivity. We propose groups of interleaved logical qubits, gaining all-to-all connectivity within the group via efficient transversal CNOT gates. Compared to standard lattice surgery operations, this reduces both the overall qubit footprint and execution time, lowering the spacetime overhead needed for small-scale QEC circuits. We also explore the architecture's scalability. We look at using physical atom movement schemes and propose interleaved lattice surgery which allows an all-to-all connectivity between qubits in adjacent interleaved groups, creating a higher connectivity routing space for large-scale circuits. Using numerical simulations, we evaluate the total routing time of interleaved lattice surgery and atom movement for various circuit sizes. We identify a cross-over point defining intermediate-scale circuits where atom movement is best and large-scale circuits where interleaved lattice surgery is best. We use this to motivate a hybrid approach as devices continue to scale, with the choice of operation depending on the routing distance.

We describe Superstaq, a quantum software platform that optimizes the execution of quantum programs by tailoring to underlying hardware primitives. For benchmarks such as the Bernstein-Vazirani algorithm and the Qubit Coupled Cluster chemistry method, we find that deep optimization can improve program execution performance by at least 10x compared to prevailing state-of-the-art compilers. To highlight the versatility of our approach, we present results from several hardware platforms: superconducting qubits (AQT @ LBNL, IBM Quantum, Rigetti), trapped ions (QSCOUT), and neutral atoms (Infleqtion). Across all platforms, we demonstrate new levels of performance and new capabilities that are enabled by deeper integration between quantum programs and the device physics of hardware., Comment: Appearing in IEEE QCE 2023 (Quantum Week) conference

This paper proposes DISQ to craft a stable landscape for VQA training and tackle the noise drift challenge. DISQ adopts a "drift detector" with a reference circuit to identify and skip iterations that are severely affected by noise drift errors. Specifically, the circuits from the previous training iteration are re-executed as a reference circuit in the current iteration to estimate noise drift impacts. The iteration is deemed compromised by noise drift errors and thus skipped if noise drift flips the direction of the ideal optimization gradient. To enhance noise drift detection reliability, we further propose to leverage multiple reference circuits from previous iterations to provide a well founded judge of current noise drift. Nevertheless, multiple reference circuits also introduce considerable execution overhead. To mitigate extra overhead, we propose Pauli-term subsetting (prime and minor subsets) to execute only observable circuits with large coefficient magnitudes (prime subset) during drift detection. Only this minor subset is executed when the current iteration is drift-free. Evaluations across various applications and QPUs demonstrate that DISQ can mitigate a significant portion of the noise drift impact on VQAs and achieve 1.51-2.24x fidelity improvement over the traditional baseline. DISQ's benefit is 1.1-1.9x over the best alternative approach while boosting average noise detection speed by 2.07x

Despite major ongoing advancements in neutral atom hardware technology, there remains limited work in systems-level software tailored to overcoming the challenges of neutral atom quantum computers. In particular, most current neutral atom architectures do not natively support local addressing of single-qubit rotations about an axis in the xy-plane of the Bloch sphere. Instead, these are executed via global beams applied simultaneously to all qubits. While previous neutral atom experimental work has used straightforward synthesis methods to convert short sequences of operations into this native gate set, these methods cannot be incorporated into a systems-level framework nor applied to entire circuits without imposing impractical amounts of serialization. Without sufficient compiler optimizations, decompositions involving global gates will significantly increase circuit depth, gate count, and accumulation of errors. No prior compiler work has addressed this, and adapting existing compilers to solve this problem is nontrivial. In this paper, we present an optimized compiler pipeline that translates an input circuit from an arbitrary gate set into a realistic neutral atom native gate set containing global gates. We focus on decomposition and scheduling passes that minimize the final circuit's global gate count and total global rotation amount. As we show, these costs contribute the most to the circuit's duration and overall error, relative to costs incurred by other gate types. Compared to the unoptimized version of our compiler pipeline, minimizing global gate costs gives up to 4.77x speedup in circuit duration. Compared to the closest prior existing work, we achieve up to 53.8x speedup. For large circuits, we observe a few orders of magnitude improvement in circuit fidelities., Comment: 12 pages, 9 figures, published in IEEE International Conference on Quantum Computing and Engineering (QCE) 2024

Recent work has proposed and explored using coreset techniques for quantum algorithms that operate on classical data sets to accelerate the applicability of these algorithms on near-term quantum devices. We apply these ideas to Quantum Boltzmann Machines (QBM) where gradient-based steps which require Gibbs state sampling are the main computational bottleneck during training. By using a coreset in place of the full data set, we try to minimize the number of steps needed and accelerate the overall training time. In a regime where computational time on quantum computers is a precious resource, we propose this might lead to substantial practical savings. We evaluate this approach on 6x6 binary images from an augmented bars and stripes data set using a QBM with 36 visible units and 8 hidden units. Using an Inception score inspired metric, we compare QBM training times with and without using coresets., Comment: Appeared in IEEE International Conference on Quantum Computing and Engineering (QCE22) in September 2022

Quantum devices should operate in adherence to quantum physics principles. Quantum random access memory (QRAM), a fundamental component of many essential quantum algorithms for tasks such as linear algebra, data search, and machine learning, is often proposed to offer $\mathcal{O}(\log N)$ circuit depth for $\mathcal{O}(N)$ data size, given $N$ qubits. However, this claim appears to breach the principle of relativity when dealing with a large number of qubits in quantum materials interacting locally. In our study we critically explore the intrinsic bounds of rapid quantum memories based on causality, employing the relativistic quantum field theory and Lieb-Robinson bounds in quantum many-body systems. In this paper, we consider a hardware-efficient QRAM design in hybrid quantum acoustic systems. Assuming clock cycle times of approximately $10^{-3}$ seconds and a lattice spacing of about 1 micrometer, we show that QRAM can accommodate up to $\mathcal{O}(10^7)$ logical qubits in 1 dimension, $\mathcal{O}(10^{15})$ to $\mathcal{O}(10^{20})$ in various 2D architectures, and $\mathcal{O}(10^{24})$ in 3 dimensions. We contend that this causality bound broadly applies to other quantum hardware systems. Our findings highlight the impact of fundamental quantum physics constraints on the long-term performance of quantum computing applications in data science and suggest potential quantum memory designs for performance enhancement., Comment: 8+24=32 pages, many figures

The fidelity of quantum programs in the NISQ era is limited by high levels of device noise. To increase the fidelity of quantum programs running on NISQ devices, a variety of optimizations have been proposed. These include mapping passes, routing passes, scheduling methods and standalone optimisations which are usually incorporated into a transpiler as passes. Popular transpilers such as those proposed by Qiskit, Cirq and Cambridge Quantum Computing make use of these extensively. However, choosing the right set of transpiler passes and the right configuration for each pass is a challenging problem. Transpilers often make critical decisions using heuristics since the ideal choices are impossible to identify without knowing the target application outcome. Further, the transpiler also makes simplifying assumptions about device noise that often do not hold in the real world. As a result, we often see effects where the fidelity of a target application decreases despite using state-of-the-art optimisations. To overcome this challenge, we propose OPTRAN, a framework for Choosing an Optimal Pass Set for Quantum Transpilation. OPTRAN uses classically simulable quantum circuits composed entirely of Clifford gates, that resemble the target application, to estimate how different passes interact with each other in the context of the target application. OPTRAN then uses this information to choose the optimal combination of passes that maximizes the target application's fidelity when run on the actual device. Our experiments on IBM machines show that OPTRAN improves fidelity by 87.66% of the maximum possible limit over the baseline used by IBM Qiskit. We also propose low-cost variants of OPTRAN, called OPTRAN-E-3 and OPTRAN-E-1 that improve fidelity by 78.33% and 76.66% of the maximum permissible limit over the baseline at a 58.33% and 69.44% reduction in cost compared to OPTRAN respectively.

For potential quantum advantage, Variational Quantum Algorithms (VQAs) need high accuracy beyond the capability of today's NISQ devices, and thus will benefit from error mitigation. In this work we are interested in mitigating measurement errors which occur during qubit measurements after circuit execution and tend to be the most error-prone operations, especially detrimental to VQAs. Prior work, JigSaw, has shown that measuring only small subsets of circuit qubits at a time and collecting results across all such subset circuits can reduce measurement errors. Then, running the entire (global) original circuit and extracting the qubit-qubit measurement correlations can be used in conjunction with the subsets to construct a high-fidelity output distribution of the original circuit. Unfortunately, the execution cost of JigSaw scales polynomially in the number of qubits in the circuit, and when compounded by the number of circuits and iterations in VQAs, the resulting execution cost quickly turns insurmountable. To combat this, we propose VarSaw, which improves JigSaw in an application-tailored manner, by identifying considerable redundancy in the JigSaw approach for VQAs: spatial redundancy across subsets from different VQA circuits and temporal redundancy across globals from different VQA iterations. VarSaw then eliminates these forms of redundancy by commuting the subset circuits and selectively executing the global circuits, reducing computational cost (in terms of the number of circuits executed) over naive JigSaw for VQA by 25x on average and up to 1000x, for the same VQA accuracy. Further, it can recover, on average, 45% of the infidelity from measurement errors in the noisy VQA baseline. Finally, it improves fidelity by 55%, on average, over JigSaw for a fixed computational budget. VarSaw can be accessed here: https://github.com/siddharthdangwal/VarSaw., Comment: Appears at the International Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS) 2024. First two authors contributed equally

Fabrication errors pose a significant challenge in scaling up solid-state quantum devices to the sizes required for fault-tolerant (FT) quantum applications. To mitigate the resource overhead caused by fabrication errors, we combine two approaches: (1) leveraging the flexibility of a modular architecture, (2) adapting the procedure of quantum error correction (QEC) to account for fabrication defects. We simulate the surface code adapted to qubit arrays with arbitrarily distributed defects to find metrics that characterize how defects affect fidelity. We then determine the impact of defects on the resource overhead of realizing a fault-tolerant quantum computer, on a chiplet-based modular architecture. Our strategy for dealing with fabrication defects demonstrates an exponential suppression of logical failure where error rates of non-faulty physical qubits are ~0.1% in a circuit-based noise model. This is a typical regime where we imagine running the defect-free surface code. We use our numerical results to establish post-selection criteria for building a device from defective chiplets. Using our criteria, we then evaluate the resource overhead in terms of the average number of fabricated physical qubits per logical qubit. We find that an optimal choice of chiplet size, based on the defect rate and target fidelity, is essential to limiting any additional error correction overhead due to defects. When the optimal chiplet size is chosen, at a defect rate of 1% the resource overhead can be reduced to below 3X and 6X respectively for the two defect models we use, for a wide range of target performance. We also determine cutoff fidelity values that help identify whether a qubit should be disabled or kept as part of the error correction code., Comment: In ASPLOS 2024: the 29th ACM International Conference on Architectural Support for Programming Languages and Operating Systems

Model-based quantum optimal control promises to solve a wide range of critical quantum technology problems within a single, flexible framework. The catch is that highly-accurate models are needed if the optimized controls are to meet the exacting demands set by quantum engineers. A practical alternative is to directly calibrate control parameters by taking device data and tuning until success is achieved. In quantum computing, gate errors due to inaccurate models can be efficiently polished if the control is limited to a few (usually hand-designed) parameters; however, an alternative tool set is required to enable efficient calibration of the complicated waveforms potentially returned by optimal control. We propose an automated model-based framework for calibrating quantum optimal controls called Learning Iteratively for Feasible Tracking (LIFT). LIFT achieves high-fidelity controls despite parasitic model discrepancies by precisely tracking feasible trajectories of quantum observables. Feasible trajectories are set by combining black-box optimal control and the bilinear dynamic mode decomposition, a physics-informed regression framework for discovering effective Hamiltonian models directly from rollout data. Any remaining tracking errors are eliminated in a non-causal way by applying model-based, norm-optimal iterative learning control to subsequent rollout data. We use numerical experiments of qubit gate synthesis to demonstrate how LIFT enables calibration of high-fidelity optimal control waveforms in spite of model discrepancies., Comment: 6 pages, 3 figures

Contemporary quantum computers encode and process quantum information in binary qubits (d = 2). However, many architectures include higher energy levels that are left as unused computational resources. We demonstrate a superconducting ququart (d = 4) processor and combine quantum optimal control with efficient gate decompositions to implement high-fidelity ququart gates. We distinguish between viewing the ququart as a generalized four-level qubit and an encoded pair of qubits, and characterize the resulting gates in each case. In randomized benchmarking experiments we observe gate fidelities greater 95% and identify coherence as the primary limiting factor. Our results validate ququarts as a viable tool for quantum information processing.

Quantum error correction is an essential component for practical quantum computing on noisy quantum hardware. However, logical operations on error-corrected qubits require a significant resource overhead, especially for high-precision and high-fidelity non-Clifford rotation gates. To address this issue, we propose a postselection-based algorithm to efficiently prepare resource states for gate teleportation. Our algorithm achieves fault tolerance, demonstrating the exponential suppression of logical errors with code distance, and it applies to any stabilizer codes. We provide analytical derivations and numerical simulations of the fidelity and success probability of the algorithm. We benchmark the method on surface code and show a factor of 100 to 10,000 reduction in space-time overhead compared to existing methods. Overall, our approach presents a promising path to reducing the resource requirement for quantum algorithms on error-corrected and noisy intermediate-scale quantum computers.

Superconducting quantum devices are a leading technology for quantum computation, but they suffer from several challenges. Gate errors, coherence errors and a lack of connectivity all contribute to low fidelity results. In particular, connectivity restrictions enforce a gate set that requires three-qubit gates to be decomposed into one- or two-qubit gates. This substantially increases the number of two-qubit gates that need to be executed. However, many quantum devices have access to higher energy levels. We can expand the qubit abstraction of $|0\rangle$ and $|1\rangle$ to a ququart which has access to the $|2\rangle$ and $|3\rangle$ state, but with shorter coherence times. This allows for two qubits to be encoded in one ququart, enabling increased virtual connectivity between physical units from two adjacent qubits to four fully connected qubits. This connectivity scheme allows us to more efficiently execute three-qubit gates natively between two physical devices. We present direct-to-pulse implementations of several three-qubit gates, synthesized via optimal control, for compilation of three-qubit gates onto a superconducting-based architecture with access to four-level devices with the first experimental demonstration of four-level ququart gates designed through optimal control. We demonstrate strategies that temporarily use higher level states to perform Toffoli gates and always use higher level states to improve fidelities for quantum circuits. We find that these methods improve expected fidelities with increases of 2x across circuit sizes using intermediate encoding, and increases of 3x for fully-encoded ququart compilation., Comment: 14 pages, 9 figures, to be published at ISCA 2023

Quantum computing has potential to provide exponential speedups over classical computing for many important applications. However, today's quantum computers are in their early stages, and hardware quality issues hinder the scale of program execution. Benchmarking and simulation of quantum circuits on classical computers is therefore essential to advance the understanding of how quantum computers and programs operate, enabling both algorithm discovery that leads to high-impact quantum computation and engineering improvements that deliver to more powerful quantum systems. Unfortunately, the nature of quantum information causes simulation complexity to scale exponentially with problem size. In this paper, we debut Super.tech's SuperSim framework, a new approach for high fidelity and scalable quantum circuit simulation. SuperSim employs two key techniques for accelerated quantum circuit simulation: Clifford-based simulation and circuit cutting. Through the isolation of Clifford subcircuit fragments within a larger non-Clifford circuit, resource-efficient Clifford simulation can be invoked, leading to significant reductions in runtime. After fragments are independently executed, circuit cutting and recombination procedures allow the final output of the original circuit to be reconstructed from fragment execution results. Through the combination of these two state-of-art techniques, SuperSim is a product for quantum practitioners that allows quantum circuit evaluation to scale beyond the frontiers of current simulators. Our results show that Clifford-based circuit cutting accelerates the simulation of near-Clifford circuits, allowing 100s of qubits to be evaluated with modest runtimes., Comment: To appear at the 50th International Symposium on Computer Architecture (ISCA 2023)

We propose a novel deterministic method for preparing arbitrary quantum states. When our protocol is compiled into CNOT and arbitrary single-qubit gates, it prepares an $N$-dimensional state in depth $O(\log(N))$ and spacetime allocation (a metric that accounts for the fact that oftentimes some ancilla qubits need not be active for the entire circuit) $O(N)$, which are both optimal. When compiled into the $\{\mathrm{H,S,T,CNOT}\}$ gate set, we show that it requires asymptotically fewer quantum resources than previous methods. Specifically, it prepares an arbitrary state up to error $\epsilon$ with optimal depth of $O(\log(N) + \log (1/\epsilon))$ and spacetime allocation $O(N\log(\log(N)/\epsilon))$, improving over $O(\log(N)\log(\log (N)/\epsilon))$ and $O(N\log(N/\epsilon))$, respectively. We illustrate how the reduced spacetime allocation of our protocol enables rapid preparation of many disjoint states with only constant-factor ancilla overhead -- $O(N)$ ancilla qubits are reused efficiently to prepare a product state of $w$ $N$-dimensional states in depth $O(w + \log(N))$ rather than $O(w\log(N))$, achieving effectively constant depth per state. We highlight several applications where this ability would be useful, including quantum machine learning, Hamiltonian simulation, and solving linear systems of equations. We provide quantum circuit descriptions of our protocol, detailed pseudocode, and gate-level implementation examples using Braket.

In this paper we propose QContext, a new compiler structure that incorporates context-aware and topology-aware decompositions. Because of circuit equivalence rules and resynthesis, variants of a gate-decomposition template may exist. QContext exploits the circuit information and the hardware topology to select the gate variant that increases circuit optimization opportunities. We study the basis-gate-level context-aware decomposition for Toffoli gates and the native-gate-level context-aware decomposition for CNOT gates. Our experiments show that QContext reduces the number of gates as compared with the state-of-the-art approach, Orchestrated Trios., Comment: 10 pages

We present a general method to quickly generate high-fidelity control pulses for any continuously-parameterized set of quantum gates after calibrating a small number of reference pulses. We find that interpolating between optimized control pulses for different quantum operations does not immediately yield a high-fidelity intermediate operation. To solve this problem, we propose a method to optimize control pulses specifically to provide good interpolations. We pick several reference operations in the gate family of interest and optimize pulses that implement these operations, then iteratively re-optimize the pulses to guide their shapes to be similar for operations that are closely related. Once this set of reference pulses is calibrated, we can use a straightforward linear interpolation method to instantly obtain high-fidelity pulses for arbitrary gates in the continuous operation space. We demonstrate this procedure on the three-parameter Cartan decomposition of two-qubit gates to obtain control pulses for any arbitrary two-qubit gate (up to single-qubit operations) with consistently high fidelity. Compared to previous neural network approaches, the method is 7.7x more computationally efficient to calibrate the pulse space for the set of all single-qubit gates. Our technique generalizes to any number of gate parameters and could easily be used with advanced pulse optimization algorithms to allow for better translation from simulation to experiment., Comment: 9 pages, 6 figures, 2 tables; appearing in QCE 2023

Quantum computing promises speedup of classical algorithms in the long term. Current hardware is unable to support this goal and programs must be efficiently compiled to use of the devices through reduction of qubits used, gate count and circuit duration. Many quantum systems have access to higher levels, expanding the computational space for a device. We develop higher level qudit communication circuits, compilation pipelines, and circuits that take advantage of this extra space by temporarily pushing qudits into these higher levels. We show how these methods are able to more efficiently use the device, and where they see diminishing returns., Comment: 7 pages, 9 Figures, In ISVML22: 2022 IEEE 52nd International Symposium on Multiple-Valued Logic

Neutral atoms are a promising choice for scalable quantum computing architectures. Features such as long distance interactions and native multiqubit gates offer reductions in communication costs and operation count. However, the trapped atoms used as qubits can be lost over the course of computation and due to adverse environmental factors. The value of a lost computation qubit cannot be recovered and requires the reloading of the array and rerunning of the computation, greatly increasing the number of runs of a circuit. Software mitigation strategies exist but exhaust the original mapped locations of the circuit slowly and create more spread out clusters of qubits across the architecture decreasing the probability of success. We increase flexibility by developing strategies that find all reachable qubits, rather only adjacent hardware qubits. Second, we divide the architecture into separate sections, and run the circuit in each section, free of lost atoms. Provided the architecture is large enough, this resets the circuit without having to reload the entire architecture. This increases the number of effective shots before reloading by a factor of two for a circuit that utilizes 30% of the architecture. We also explore using these sections to parallelize execution of circuits, reducing the overall runtime by a total 50% for 30 qubit circuit. These techniques contribute to a dynamic new set of strategies to combat the detrimental effects of lost computational space., Comment: 11 pages, 11 Figures, In QCE22: 2022 IEEE International Conference on Quantum Computing & Engineering

We propose SnCQA, a set of hardware-efficient variational circuits of equivariant quantum convolutional circuits respective to permutation symmetries and spatial lattice symmetries with the number of qubits $n$. By exploiting permutation symmetries of the system, such as lattice Hamiltonians common to many quantum many-body and quantum chemistry problems, Our quantum neural networks are suitable for solving machine learning problems where permutation symmetries are present, which could lead to significant savings of computational costs. Aside from its theoretical novelty, we find our simulations perform well in practical instances of learning ground states in quantum computational chemistry, where we could achieve comparable performances to traditional methods with few tens of parameters. Compared to other traditional variational quantum circuits, such as the pure hardware-efficient ansatz (pHEA), we show that SnCQA is more scalable, accurate, and noise resilient (with $20\times$ better performance on $3 \times 4$ square lattice and $200\% - 1000\%$ resource savings in various lattice sizes and key criterions such as the number of layers, parameters, and times to converge in our cases), suggesting a potentially favorable experiment on near-time quantum devices., Comment: 10 pages, many figures. IEEE QCE 2023, 1st best paper award in quantum algorithms

Cloud-based quantum computers have become a reality with a number of companies allowing for cloud-based access to their machines with tens to more than 100 qubits. With easy access to quantum computers, quantum information processing will potentially revolutionize computation, and superconducting transmon-based quantum computers are among some of the more promising devices available. Cloud service providers today host a variety of these and other prototype quantum computers with highly diverse device properties, sizes, and performances. The variation that exists in today's quantum computers, even among those of the same underlying hardware, motivate the study of how one device can be clearly differentiated and identified from the next. As a case study, this work focuses on the properties of 25 IBM superconducting, fixed-frequency transmon-based quantum computers that range in age from a few months to approximately 2.5 years. Through the analysis of current and historical quantum computer calibration data, this work uncovers key features within the machines that can serve as basis for unique hardware fingerprint of each quantum computer. This work demonstrates a new and fast method to reliably fingerprint cloud-based quantum computers based on unique frequency characteristics of transmon qubits. Both enrollment and recall operations are very fast as fingerprint data can be generated with minimal executions on the quantum machine. The qubit frequency-based fingerprints also have excellent inter-device separation and intra-device stability.

Among different quantum algorithms, PQC for QML show promises on near-term devices. To facilitate the QML and PQC research, a recent python library called TorchQuantum has been released. It can construct, simulate, and train PQC for machine learning tasks with high speed and convenient debugging supports. Besides quantum for ML, we want to raise the community's attention on the reversed direction: ML for quantum. Specifically, the TorchQuantum library also supports using data-driven ML models to solve problems in quantum system research, such as predicting the impact of quantum noise on circuit fidelity and improving the quantum circuit compilation efficiency. This paper presents a case study of the ML for quantum part. Since estimating the noise impact on circuit reliability is an essential step toward understanding and mitigating noise, we propose to leverage classical ML to predict noise impact on circuit fidelity. Inspired by the natural graph representation of quantum circuits, we propose to leverage a graph transformer model to predict the noisy circuit fidelity. We firstly collect a large dataset with a variety of quantum circuits and obtain their fidelity on noisy simulators and real machines. Then we embed each circuit into a graph with gate and noise properties as node features, and adopt a graph transformer to predict the fidelity. Evaluated on 5 thousand random and algorithm circuits, the graph transformer predictor can provide accurate fidelity estimation with RMSE error 0.04 and outperform a simple neural network-based model by 0.02 on average. It can achieve 0.99 and 0.95 R$^2$ scores for random and algorithm circuits, respectively. Compared with circuit simulators, the predictor has over 200X speedup for estimating the fidelity., Comment: ICCAD 2022; 10 pages, 10 figures; code at https://github.com/mit-han-lab/torchquantum

Fixed-frequency transmon quantum computers (QCs) have advanced in coherence times, addressability, and gate fidelities. Unfortunately, these devices are restricted by the number of on-chip qubits, capping processing power and slowing progress toward fault-tolerance. Although emerging transmon devices feature over 100 qubits, building QCs large enough for meaningful demonstrations of quantum advantage requires overcoming many design challenges. For example, today's transmon qubits suffer from significant variation due to limited precision in fabrication. As a result, barring significant improvements in current fabrication techniques, scaling QCs by building ever larger individual chips with more qubits is hampered by device variation. Severe device variation that degrades QC performance is referred to as a defect. Here, we focus on a specific defect known as a frequency collision. When transmon frequencies collide, their difference falls within a range that limits two-qubit gate fidelity. Frequency collisions occur with greater probability on larger QCs, causing collision-free yields to decline as the number of on-chip qubits increases. As a solution, we propose exploiting the higher yields associated with smaller QCs by integrating quantum chiplets within quantum multi-chip modules (MCMs). Yield, gate performance, and application-based analysis show the feasibility of QC scaling through modularity., Comment: Appeared in the 55th IEEE/ACM International Symposium on Microarchitecture (MICRO), 2022

Transient errors from the dynamic NISQ noise landscape are challenging to comprehend and are especially detrimental to classes of applications that are iterative and/or long-running, and therefore their timely mitigation is important for quantum advantage in real-world applications. The most popular examples of iterative long-running quantum applications are variational quantum algorithms (VQAs). Iteratively, VQA's classical optimizer evaluates circuit candidates on an objective function and picks the best circuits towards achieving the application's target. Noise fluctuation can cause a significant transient impact on the objective function estimation of the VQA iterations / tuning candidates. This can severely affect VQA tuning and, by extension, its accuracy and convergence. This paper proposes QISMET: Quantum Iteration Skipping to Mitigate Error Transients, to navigate the dynamic noise landscape of VQAs. QISMET actively avoids instances of high fluctuating noise which are predicted to have a significant transient error impact on specific VQA iterations. To achieve this, QISMET estimates transient error in VQA iterations and designs a controller to keep the VQA tuning faithful to the transient-free scenario. By doing so, QISMET efficiently mitigates a large portion of the transient noise impact on VQAs and is able to improve the fidelity by 1.3x-3x over a traditional VQA baseline, with 1.6-2.4x improvement over alternative approaches, across different applications and machines. Further, to diligently analyze the effects of transients, this work also builds transient noise models for target VQA applications from observing real machine transients. These are then integrated with the Qiskit simulator., Comment: Appears at the 28th Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS 2023)

Near-term quantum computers are primarily limited by errors in quantum operations (or gates) between two quantum bits (or qubits). A physical machine typically provides a set of basis gates that include primitive 2-qubit (2Q) and 1-qubit (1Q) gates that can be implemented in a given technology. 2Q entangling gates, coupled with some 1Q gates, allow for universal quantum computation. In superconducting technologies, the current state of the art is to implement the same 2Q gate between every pair of qubits (typically an XX- or XY-type gate). This strict hardware uniformity requirement for 2Q gates in a large quantum computer has made scaling up a time and resource-intensive endeavor in the lab. We propose a radical idea -- allow the 2Q basis gate(s) to differ between every pair of qubits, selecting the best entangling gates that can be calibrated between given pairs of qubits. This work aims to give quantum scientists the ability to run meaningful algorithms with qubit systems that are not perfectly uniform. Scientists will also be able to use a much broader variety of novel 2Q gates for quantum computing. We develop a theoretical framework for identifying good 2Q basis gates on "nonstandard" Cartan trajectories that deviate from "standard" trajectories like XX. We then introduce practical methods for calibration and compilation with nonstandard 2Q gates, and discuss possible ways to improve the compilation. To demonstrate our methods in a case study, we simulated both standard XY-type trajectories and faster, nonstandard trajectories using an entangling gate architecture with far-detuned transmon qubits. We identify efficient 2Q basis gates on these nonstandard trajectories and use them to compile a number of standard benchmark circuits such as QFT and QAOA. Our results demonstrate an 8x improvement over the baseline 2Q gates with respect to speed and coherence-limited gate fidelity., Comment: In MICRO 2022: 55th IEEE/ACM International Symposium on Microarchitecture, 17 pages, 7 figures

The overheads of classical decoding for quantum error correction on superconducting quantum systems grow rapidly with the number of logical qubits and their correction code distance. Decoding at room temperature is bottle-necked by refrigerator I/O bandwidth while cryogenic on-chip decoding is limited by area/power/thermal budget. To overcome these overheads, we are motivated by the observation that in the common case, error signatures are fairly trivial with high redundancy/sparsity, since the error correction codes are over-provisioned to correct for uncommon worst-case complex scenarios (to ensure substantially low logical error rates). If suitably exploited, these trivial signatures can be decoded and corrected with insignificant overhead, thereby alleviating the bottlenecks described above, while still handling the worst-case complex signatures by state-of-the-art means. Our proposal, targeting Surface Codes, consists of: 1) Clique: A lightweight decoder for decoding and correcting trivial common-case errors, designed for the cryogenic domain. The decoder is implemented for SFQ logic. 2) A statistical confidence-based technique for off-chip decoding bandwidth allocation, to efficiently handle rare complex decodes which are not covered by the on-chip decoder. 3) A method for stalling circuit execution, for the worst-case scenarios in which the provisioned off-chip bandwidth is insufficient to complete all requested off-chip decodes. In all, our proposal enables 70-99+% off-chip bandwidth elimination across a range of logical and physical error rates, without significantly sacrificing the accuracy of state-of-the-art off-chip decoding. By doing so, it achieves 10-10000x bandwidth reduction over prior off-chip bandwidth reduction techniques. Furthermore, it achieves a 15-37x resource overhead reduction compared to prior on-chip-only decoding., Comment: To appear at the 28th Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS 2023)

While quantum computers provide exciting opportunities for information processing, they currently suffer from noise during computation that is not fully understood. Incomplete noise models have led to discrepancies between quantum program success rate (SR) estimates and actual machine outcomes. For example, the estimated probability of success (ESP) is the state-of-the-art metric used to gauge quantum program performance. The ESP suffers poor prediction since it fails to account for the unique combination of circuit structure, quantum state, and quantum computer properties specific to each program execution. Thus, an urgent need exists for a systematic approach that can elucidate various noise impacts and accurately and robustly predict quantum computer success rates, emphasizing application and device scaling. In this article, we propose quantum vulnerability analysis (QVA) to systematically quantify the error impact on quantum applications and address the gap between current success rate (SR) estimators and real quantum computer results. The QVA determines the cumulative quantum vulnerability (CQV) of the target quantum computation, which quantifies the quantum error impact based on the entire algorithm applied to the target quantum machine. By evaluating the CQV with well-known benchmarks on three 27-qubit quantum computers, the CQV success estimation outperforms the estimated probability of success state-of-the-art prediction technique by achieving on average six times less relative prediction error, with best cases at 30 times, for benchmarks with a real SR rate above 0.1%. Direct application of QVA has been provided that helps researchers choose a promising compiling strategy at compile time., Comment: 11pages, 11 figures

Current efforts to build quantum computers focus mainly on the two-state qubit, which often involves suppressing readily-available higher states. In this work, we break this abstraction and synthesize short-duration control pulses for gates on generalized d-state qudits. We present Incremental Pulse Re-seeding, a practical scheme to guide optimal control software to the lowest-duration pulse by iteratively seeding the optimizer with previous results. We find a near-linear relationship between Hilbert space dimension and gate duration through explicit pulse optimization for one- and two-qudit gates on transmons. Our results suggest that qudit operations are much more efficient than previously expected in the practical regime of interest and have the potential to significantly increase the computational power of current hardware.

This paper presents Giallar, a fully-automated verification toolkit for quantum compilers. Giallar requires no manual specifications, invariants, or proofs, and can automatically verify that a compiler pass preserves the semantics of quantum circuits. To deal with unbounded loops in quantum compilers, Giallar abstracts three loop templates, whose loop invariants can be automatically inferred. To efficiently check the equivalence of arbitrary input and output circuits that have complicated matrix semantics representation, Giallar introduces a symbolic representation for quantum circuits and a set of rewrite rules for showing the equivalence of symbolic quantum circuits. With Giallar, we implemented and verified 44 (out of 56) compiler passes in 13 versions of the Qiskit compiler, the open-source quantum compiler standard, during which three bugs were detected in and confirmed by Qiskit. Our evaluation shows that most of Qiskit compiler passes can be automatically verified in seconds and verification imposes only a modest overhead to compilation performance., Comment: PLDI 2022; Improves arXiv:1908.08963

As the popularity of quantum computing continues to grow, efficient quantum machine access over the cloud is critical to both academic and industry researchers across the globe. And as cloud quantum computing demands increase exponentially, the analysis of resource consumption and execution characteristics are key to efficient management of jobs and resources at both the vendor-end as well as the client-end. While the analysis and optimization of job / resource consumption and management are popular in the classical HPC domain, it is severely lacking for more nascent technology like quantum computing. This paper proposes optimized adaptive job scheduling to the quantum cloud taking note of primary characteristics such as queuing times and fidelity trends across machines, as well as other characteristics such as quality of service guarantees and machine calibration constraints. Key components of the proposal include a) a prediction model which predicts fidelity trends across machine based on compiled circuit features such as circuit depth and different forms of errors, as well as b) queuing time prediction for each machine based on execution time estimations. Overall, this proposal is evaluated on simulated IBM machines across a diverse set of quantum applications and system loading scenarios, and is able to reduce wait times by over 3x and improve fidelity by over 40\% on specific usecases, when compared to traditional job schedulers., Comment: Appeared at the 2021 IEEE International Conference on Quantum Computing and Engineering. arXiv admin note: text overlap with arXiv:2203.13121. substantial text overlap with arXiv:2203.13121

As the popularity of quantum computing continues to grow, quantum machine access over the cloud is critical to both academic and industry researchers across the globe. And as cloud quantum computing demands increase exponentially, the analysis of resource consumption and execution characteristics are key to efficient management of jobs and resources at both the vendor-end as well as the client-end. While the analysis of resource consumption and management are popular in the classical HPC domain, it is severely lacking for more nascent technology like quantum computing. This paper is a first-of-its-kind academic study, analyzing various trends in job execution and resources consumption / utilization on quantum cloud systems. We focus on IBM Quantum systems and analyze characteristics over a two year period, encompassing over 6000 jobs which contain over 600,000 quantum circuit executions and correspond to almost 10 billion "shots" or trials over 20+ quantum machines. Specifically, we analyze trends focused on, but not limited to, execution times on quantum machines, queuing/waiting times in the cloud, circuit compilation times, machine utilization, as well as the impact of job and machine characteristics on all of these trends. Our analysis identifies several similarities and differences with classical HPC cloud systems. Based on our insights, we make recommendations and contributions to improve the management of resources and jobs on future quantum cloud systems., Comment: Appeared at the 2021 IEEE International Symposium on Workload Characterization

Simulating the time evolution of a physical system at quantum mechanical levels of detail -- known as Hamiltonian Simulation (HS) -- is an important and interesting problem across physics and chemistry. For this task, algorithms that run on quantum computers are known to be exponentially faster than classical algorithms; in fact, this application motivated Feynman to propose the construction of quantum computers. Nonetheless, there are challenges in reaching this performance potential. Prior work has focused on compiling circuits (quantum programs) for HS with the goal of maximizing either accuracy or gate cancellation. Our work proposes a compilation strategy that simultaneously advances both goals. At a high level, we use classical optimizations such as graph coloring and travelling salesperson to order the execution of quantum programs. Specifically, we group together mutually commuting terms in the Hamiltonian (a matrix characterizing the quantum mechanical system) to improve the accuracy of the simulation. We then rearrange the terms within each group to maximize gate cancellation in the final quantum circuit. These optimizations work together to improve HS performance and result in an average 40% reduction in circuit depth. This work advances the frontier of HS which in turn can advance physical and chemical modeling in both basic and applied sciences., Comment: 13 pages, 7 figures, Awarded Best Paper during the IEEE International Conference on Rebooting Computing (ICRC) 2021

Spin systems are an attractive candidate for quantum-enhanced metrology. Here we develop a variational method to generate metrological states in small dipolar-interacting ensembles with limited qubit controls and unknown spin locations. The generated states enable sensing beyond the standard quantum limit (SQL) and approaching the Heisenberg limit (HL). Depending on the circuit depth and the level of readout noise, the resulting states resemble Greenberger-Horne-Zeilinger (GHZ) states or Spin Squeezed States (SSS). Sensing beyond the SQL holds in the presence of finite spin polarization and a non-Markovian noise environment., Comment: 6 pages, 4 figures, 1 table in main text. 21 pages, 8 figures, 3 tables in supplemental material

Quantum information processing holds great promise for pushing beyond the current frontiers in computing. Specifically, quantum computation promises to accelerate the solving of certain problems, and there are many opportunities for innovation based on applications in chemistry, engineering, and finance. To harness the full potential of quantum computing, however, we must not only place emphasis on manufacturing better qubits, advancing our algorithms, and developing quantum software. To scale devices to the fault tolerant regime, we must refine device-level quantum control. On May 17-18, 2021, the Chicago Quantum Exchange (CQE) partnered with IBM Quantum and Super.tech to host the Pulse-level Quantum Control Workshop. At the workshop, representatives from academia, national labs, and industry addressed the importance of fine-tuning quantum processing at the physical layer. The purpose of this report is to summarize the topics of this meeting for the quantum community at large.

This work tackles the problem of finding a good ansatz initialization for Variational Quantum Algorithms (VQAs), by proposing CAFQA, a Clifford Ansatz For Quantum Accuracy. The CAFQA ansatz is a hardware-efficient circuit built with only Clifford gates. In this ansatz, the parameters for the tunable gates are chosen by searching efficiently through the Clifford parameter space via classical simulation. The resulting initial states always equal or outperform traditional classical initialization (e.g., Hartree-Fock), and enable high-accuracy VQA estimations. CAFQA is well-suited to classical computation because: a) Clifford-only quantum circuits can be exactly simulated classically in polynomial time, and b) the discrete Clifford space is searched efficiently via Bayesian Optimization. For the Variational Quantum Eigensolver (VQE) task of molecular ground state energy estimation (up to 18 qubits), CAFQA's Clifford Ansatz achieves a mean accuracy of nearly 99% and recovers as much as 99.99% of the molecular correlation energy that is lost in Hartree-Fock initialization. CAFQA achieves mean accuracy improvements of 6.4x and 56.8x, over the state-of-the-art, on different metrics. The scalability of the approach allows for preliminary ground state energy estimation of the challenging chromium dimer (Cr$_2$) molecule. With CAFQA's high-accuracy initialization, the convergence of VQAs is shown to accelerate by 2.5x, even for small molecules. Furthermore, preliminary exploration of allowing a limited number of non-Clifford (T) gates in the CAFQA framework, shows that as much as 99.9% of the correlation energy can be recovered at bond lengths for which Clifford-only CAFQA accuracy is relatively limited, while remaining classically simulable., Comment: Appears at the 28th Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS 2023). Previous title - CAFQA: Clifford Ansatz For Quantum Accuracy. Paper revised to ASPLOS requirements, added additional improvements to the CAFQA framework / evaluation. Added preliminary exploration on CAFQA with T gates

The emergence of quantum computers as a new computational paradigm has been accompanied by speculation concerning the scope and timeline of their anticipated revolutionary changes. While quantum computing is still in its infancy, the variety of different architectures used to implement quantum computations make it difficult to reliably measure and compare performance. This problem motivates our introduction of SupermarQ, a scalable, hardware-agnostic quantum benchmark suite which uses application-level metrics to measure performance. SupermarQ is the first attempt to systematically apply techniques from classical benchmarking methodology to the quantum domain. We define a set of feature vectors to quantify coverage, select applications from a variety of domains to ensure the suite is representative of real workloads, and collect benchmark results from the IBM, IonQ, and AQT@LBNL platforms. Looking forward, we envision that quantum benchmarking will encompass a large cross-community effort built on open source, constantly evolving benchmark suites. We introduce SupermarQ as an important step in this direction., Comment: 17 pages, 4 figures, Awarded Best Paper during the 28th IEEE International Symposium on High-Performance Computer Architecture (HPCA-28), Seoul, South Korea

Scalability of today's superconducting quantum computers is limited due to the huge costs of generating/routing microwave control pulses per qubit from room temperature. One active research area in both industry and academia is to push the classical controllers to the dilution refrigerator in order to increase the scalability of quantum computers. Superconducting Single Flux Quantum (SFQ) is a classical logic technology with low power consumption and ultra-high speed, and thus is a promising candidate for in-fridge classical controllers with maximized scalability. Prior work has demonstrated high-fidelity SFQ-based single-qubit gates. However, little research has been done on SFQ-based multi-qubit gates, which are necessary to realize SFQ-based universal quantum computing. In this paper, we present the first thorough analysis of SFQ-based two-qubit gates. Our observations show that SFQ-based two-qubit gates tend to have high leakage to qubit non-computational subspace, which presents severe design challenges. We show that despite these challenges, we can realize gates with high fidelity by carefully designing optimal control methods and qubit architectures. We develop optimal control methods that suppress leakage, and also investigate various qubit architectures that reduce the leakage. After carefully engineering our SFQ-friendly quantum system, we show that it can achieve similar gate fidelity and gate time to microwave-based quantum systems. The promising results of this paper show that (1) SFQ-based universal quantum computation is both feasible and effective; and (2) SFQ is a promising approach in designing classical controller for quantum machines because it can increase the scalability while preserving gate fidelity and performance.

The control of cryogenic qubits in today's superconducting quantum computer prototypes presents significant scalability challenges due to the massive costs of generating/routing the analog control signals that need to be sent from a classical controller at room temperature to the quantum chip inside the dilution refrigerator. Thus, researchers in industry and academia have focused on designing in-fridge classical controllers in order to mitigate these challenges. Superconducting Single Flux Quantum (SFQ) is a classical logic family proposed for large-scale in-fridge controllers. SFQ logic has the potential to maximize scalability thanks to its ultra-high speed and very low power consumption. However, architecture design for SFQ logic poses challenges due to its unconventional pulse-driven nature and lack of dense memory and logic. Thus, research at the architecture level is essential to guide architects to design SFQ-based classical controllers for large-scale quantum machines. In this paper, we present DigiQ, the first system-level design of a Noisy Intermediate Scale Quantum (NISQ)-friendly SFQ-based classical controller. We perform a design space exploration of SFQ-based controllers and co-design the quantum gate decompositions and SFQ-based implementation of those decompositions to find an optimal SFQ-friendly design point that trades area and power for latency and control while ensuring good quantum algorithmic performance. Our co-design results in a single instruction, multiple data (SIMD) controller architecture, which has high scalability (>42,000-qubit scales), but imposes new challenges on the calibration of control pulses. We present software-level solutions to address these challenges, which if unaddressed would degrade quantum circuit fidelity given the imperfections of qubit hardware.

A core challenge for superconducting quantum computers is to scale up the number of qubits in each processor without increasing noise or cross-talk. Distributed quantum computing across small qubit arrays, known as chiplets, can address these challenges in a scalable manner. We propose a chiplet architecture over microwave links with potential to exceed monolithic performance on near-term hardware. Our methods of modeling and evaluating the chiplet architecture bridges the physical and network layers in these processors. We find evidence that distributing computation across chiplets may reduce the overall error rates associated with moving data across the device, despite higher error figures for transfers across links. Preliminary analyses suggest that latency is not substantially impacted, and that at least some applications and architectures may avoid bottlenecks around chiplet boundaries. In the long-term, short-range networks may underlie quantum computers just as local area networks underlie classical datacenters and supercomputers today., Comment: 24 pages, 11 figures

Variational Quantum Algorithms (VQAs) are relatively robust to noise, but errors are still a significant detriment to VQAs on near-term quantum machines. It is imperative to employ error mitigation techniques to improve VQA fidelity. While existing error mitigation techniques built from theory provide substantial gains, the disconnect between theory and real machine execution limits their benefits. Thus, it is critical to optimize mitigation techniques to explicitly suit the target application as well as the noise characteristics of the target machine. We propose VAQEM, which dynamically tailors existing error mitigation techniques to the actual, dynamic noisy execution characteristics of VQAs on a target quantum machine. We do so by tuning specific features of these mitigation techniques similar to the traditional rotation angle parameters - by targeting improvements towards a specific objective function which represents the VQA problem at hand. In this paper, we target two types of error mitigation techniques which are suited to idle times in quantum circuits: single qubit gate scheduling and the insertion of dynamical decoupling sequences. We gain substantial improvements to VQA objective measurements - a mean of over 3x across a variety of VQA applications, run on IBM Quantum machines. More importantly, the proposed variational approach is general and can be extended to many other error mitigation techniques whose specific configurations are hard to select a priori. Integrating more mitigation techniques into the VAQEM framework can lead to potentially realizing practically useful VQA benefits on today's noisy quantum machines., Comment: To appear at The 28th IEEE International Symposium on High-PerformanceComputer Architecture (HPCA-28)