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Ravi, Gokul Subramanian

Publications and source records attributed to Ravi, Gokul Subramanian.

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. 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. Here 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.

36 MATERIALS SCIENCE↗

Hardware assisted fine-grained data movement

A processor includes a task scheduling unit and a compute unit coupled to the task scheduling unit. The task scheduling unit performs a task dependency assessment of a task dependency graph and task data requirements that correspond to each task of the plurality of tasks. Based on the task dependency assessment, the task scheduling unit schedules a first task of the plurality of tasks and a second proxy object of a plurality of proxy objects specified by the task data requirements such that a memory transfer of the second proxy object of the plurality of proxy objects occurs while the first task is being executed.

Hassaan, Muhammad Amber↗

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

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.

Alexeev, Yuri↗

Hardware assisted fine-grained data movement

A processor includes a task scheduling unit and a compute unit coupled to the task scheduling unit. The task scheduling unit performs a task dependency assessment of a task dependency graph and task data requirements that correspond to each task of the plurality of tasks. Based on the task dependency assessment, the task scheduling unit schedules a first task of the plurality of tasks and a second proxy object of a plurality of proxy objects specified by the task data requirements such that a memory transfer of the second proxy object of the plurality of proxy objects occurs while the first task is being executed.

Hassaan, Muhammad Amber↗

Better Than Worst-Case Decoding for Quantum Error Correction

The overheads of classical decoding for quantum error correction in cryogenic quantum systems grow rapidly with the number of logical qubits and their correction code distance. Decoding at room temperature is bottlenecked 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 (over 90% of the time), error correction 'syndromes' are fairly trivial with high redundancy / sparsity, since the error correction codes are over-provisioned to be able to correct for uncommon worst-case complex scenarios (to ensure substantially low logical error rates). If suitably exploited, these trivial scenarios can be handled with insignificant overhead, thereby alleviating any bottlenecks towards handling the worst-case scenarios by state-of-the-art means. Here, we propose Better Than Worst-Case Decoding for Quantum Error Correction, targeting cryogenic quantum systems and Surface Code, consisting of: On-chip Clique Decoder: An extremely lightweight decoder for correcting trivial common-case errors, designed for the cryogenic domain. The decoder is implemented and evaluated for SFQ logic. Statistical Off-chip Bandwidth Allocation: A statistical confidence-based technique for allocation of off-chip decoding bandwidth, to efficiently handle the rare complex decodes that are not covered by the Clique Decoder. Decode-Overflow Execution Stalling: A method to stall 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, BTWC decoding achieves 70-99+% off-chip bandwidth elimination across a range of logical and physical error rates, without significantly sacrificing the accuracy of a state-of-the-art off-chip decoder. Further, it achieves 10-1000x bandwidth reduction over prior bandwidth reduction techniques, as well as 15-37x resource overhead reduction compared to prior on-chip decoding.

cryogenic optimization↗

Navigating the Dynamic Noise Landscape of Variational Quantum Algorithms with QISMET

In the Noisy Intermediate Scale Quantum (NISQ) era, the dynamic nature of quantum systems causes noise sources to constantly vary over time. 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. Furthermore, 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.

Ravi, Gokul Subramanian↗

CAFQA: A Classical Simulation Bootstrap for Variational Quantum Algorithms

Classical computing plays a critical role in the advancement of quantum frontiers in the NISQ era. In this spirit, this work uses classical simulation to bootstrap Variational Quantum Algorithms (VQAs). VQAs rely upon the iterative optimization of a parameterized unitary circuit (ansatz) with respect to an objective function. Since quantum machines are noisy and expensive resources, it is imperative to classically choose the VQA ansatz initial parameters to be as close to optimal as possible to improve VQA accuracy and accelerate their convergence on today’s devices. This work tackles the problem of finding a good ansatz initialization, 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. Here, the scalability of the approach allows for preliminary ground state energy estimation of the challenging chromium dimer (Cr2) 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.

bayesian optimization↗

Quancorde: Boosting fidelity with Quantum Canary Ordered Diverse Ensembles

On today's noisy imperfect quantum devices, execution fidelity tends to collapse dramatically for most applications beyond a handful of qubits. It is therefore imperative to employ novel techniques that can boost quantum fidelity in new ways. Here, this paper aims to boost quantum fidelity with Clifford canary circuits by proposing Quancorde: Quantum Canary Ordered Diverse Ensembles, a fundamentally newapproach to identifying the correct outcomes of extremely low-fidelity quantum applications. It is based on the key idea of diversity in quantum devices - variations in noise sources, make each (portion of a) device unique, and therefore, their impact on an application's fidelity, also unique. Quancorde utilizes Clifford canary circuits (which are classically simulable, but also resemble the target application structure and thus suffer similar structural noise impact) to order a diverse ensemble of devices or qubits/mappings approximately along the direction of increasing fidelity of the target application. Quancorde then estimates the correlation of the ensemble-wide probabilities of each output string of the application, with the canary ensemble ordering, and uses this correlation to weight the application's noisy probability distribution. The correct application outcomes are expected to have higher correlation with the canary ensemble order, and thus their probabilities are boosted in this process. Doing so, Quancorde improves the fidelity of evaluated quantum applications by a mean of 8.9x/4.2x (wrt. different baselines) and up to a maximum of 34x.

clifford↗

Scaling Superconducting Quantum Computers with Chiplet Architectures

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. Our results demonstrate that chiplet architectures, relative to monolithic designs, benefit from average yield improvements ranging from 9.6 – 92.6 × for ≲5 qubit machines. In addition, our simulations explore the design space of chiplet systems and discover configurations that demonstrate average two-qubit gate infidelity reductions that are at best 0.815 × their monolithic counterpart. Lastly, we observe that carefully-selected modular systems achieve fidelity improvements on a range of benchmark circuits.

quantum architecture↗

Quantum Computing in the Cloud: Analyzing job and machine characteristics

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 Furthermore, 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. Furthermore, 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.

42 ENGINEERING↗

Adaptive job and resource management for the growing quantum cloud

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. Altogether, 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.

97 MATHEMATICS AND COMPUTING↗