Leibniz Supercomputing Centre
The Munich Quantum Software Stack (MQSS) is a modular, multi-layered, and open-source software stack that integrates diverse quantum hardware into classical High-Performance Computing (HPC) environments. Deployed at the Leibniz Supercomputing Centre, it provides unified access to heterogeneous quantum devices and enables tightly-coupled hybrid quantum-classical workflows for scientific applications.
This empirical case study details the practical integration of a 20-qubit superconducting quantum computer into the Leibniz Supercomputing Centre's High-Performance Computing (HPC) infrastructure. It outlines the process, specific challenges, and successful solutions for co-location, continuous operation, and user enablement, establishing a blueprint for hybrid quantum-classical computing environments.
Quantum computers face challenges due to hardware constraints, noise errors, and heterogeneity, and face fundamental design tradeoffs between key performance metrics such as \textit{quantum fidelity} and system utilization. This substantially complicates managing quantum resources to scale the size and number of quantum algorithms that can be executed reliably in a given time. We introduce QOS, a cloud operating system for managing quantum resources while mitigating their inherent limitations and balancing the design tradeoffs of quantum computing. QOS exposes a hardware-agnostic API for transparent quantum job execution, mitigates hardware errors, and systematically multi-programs and schedules the jobs across space and time to achieve high quantum fidelity in a resource-efficient manner. To achieve this, it leverages two key insights: First, to maximize utilization and minimize fidelity loss, some jobs are more compatible than others for multi-programming on the same quantum computer. Second, sacrificing minimal fidelity can significantly reduce job waiting times. We evaluate QOS on real quantum devices hosted by IBM, using 7000 real quantum runs of more than 70.000 benchmark instances. We show that the QOS achieves 2.6--456.5×\times higher fidelity, increases resource utilization by up to 9.6×\times, and reduces waiting times by up to 5×\times while sacrificing only 1--3\% fidelity, on average, compared to the baselines.
Fairness has been identified as an important aspect of Machine Learning and Artificial Intelligence solutions for decision making. Recent literature offers a variety of approaches for debiasing, however many of them fall short when the data collection is imbalanced. In this paper, we focus on a particular case, fairness in doubly imbalanced datasets, such that the data collection is imbalanced both for the label and the groups in the sensitive attribute. Firstly, we present an exploratory analysis to illustrate limitations in debiasing on a doubly imbalanced dataset. Then, a multi-criteria based solution is proposed for finding the most suitable sampling and distribution for label and sensitive attribute, in terms of fairness and classification accuracy
Quantum computing (QC) promises to be a transformative technology with impact on various application domains, such as optimization, cryptography, and material science. However, the technology has a sharp learning curve, and practical evaluation and characterization of quantum systems remains complex and challenging, particularly for students and newcomers from computer science to the field of quantum computing. To address this educational gap, we introduce Q-BEAST, a practical course designed to provide structured training in the experimental analysis of quantum computing systems. Q-BEAST offers a curriculum that combines foundational concepts in quantum computing with practical methodologies and use cases for benchmarking and performance evaluation on actual quantum systems. Through theoretical instruction and hands-on experimentation, students gain experience in assessing the advantages and limitations of real quantum technologies. With that, Q-BEAST supports the education of a future generation of quantum computing users and developers. Furthermore, it also explicitly promotes a deeper integration of High Performance Computing (HPC) and QC in research and education.
Quantum computing in supercomputing centers requires robust tools to analyze calibration datasets, predict hardware performance, and optimize operational workflows. This paper presents a data-driven framework for processing calibration metrics. Our model is based on a real calibration quality metrics dataset from our in-house 20-qubit NISQ device and for more than 250 days. We apply detailed data analysis to uncover temporal patterns and cross-metric correlations. Using unsupervised clustering, we identify stable and noisy qubits. We also validate our model using GHZ state experiments. Our study provides health indicators as well as hardware-driven maintenance and recalibration recommendations, thus motivating the integration of relevant schedulers with HPCQC workflows.
Circuit knitting offers a promising path to the scalable execution of large quantum circuits by breaking them into smaller sub-circuits whose output is recombined through classical postprocessing. However, current techniques face excessive overhead due to a naive postprocessing method that neglects potential optimizations in the circuit structure. To overcome this, we introduce qTPU, a framework for scalable hybrid quantum-classical processing using tensor networks. By leveraging our hybrid quantum circuit contraction method, we represent circuit execution as the contraction of a hybrid tensor network (h-TN). The qTPU compiler automates efficient h-TN generation, optimizing the balance between estimated error and postprocessing overhead, while the qTPU runtime supports large-scale h-TN contraction using quantum and classical accelerators. Our evaluation shows orders-of-magnitude reductions in postprocessing overhead, a 104×10^4\times speedup in postprocessing, and a 20.7×\times reduction in overall runtime compared to the state-of-the-art Qiskit-Addon-Cutting (QAC).
We describe Qonductor, a cloud orchestrator for hybrid quantum-classical applications that run on heterogeneous hybrid resources. Qonductor abstracts away the complexity of hybrid programming and resource management by exposing the Qonductor API, a high-level and hardware-agnostic API. The resource estimator strategically balances quantum and classical resources to mitigate resource contention and the effects of hardware noise. The hybrid scheduler automates job scheduling on hybrid resources and balances the tradeoff between users' objectives of QoS and the cloud operator's objective of resource efficiency. We implement an open-source prototype and evaluate Qonductor using more than 7000 real quantum runs on the IBM quantum cloud to simulate real cloud workloads. Qonductor achieves up to 54% lower job completion times (JCTs) while sacrificing 3% execution quality, balances the load across QPU, which increases quantum resource utilization by up to 66%, and scales with growing system sizes and loads.
A benchmarking study evaluated 24 quantum state-vector simulators on high-performance computing platforms. The research revealed up to 1000x wall-clock time differences between packages for N=26 qubits, showing how multithreading and GPU acceleration enable simulation of 2-4 more qubits within the same timeframe, and provided a containerized workflow for reproducible evaluations.
DCDB Wintermute, developed by researchers at Leibniz Supercomputing Centre and Technical University of Munich, provides a generic framework for online and holistic operational data analytics on High-Performance Computing systems. It enables proactive system management by leveraging monitoring data, demonstrating a negligible overhead of less than 0.5% and achieving an average power prediction error of 6.2%.
As High-Performance Computing (HPC) systems strive towards the exascale goal, studies suggest that they will experience excessive failure rates. For this reason, detecting and classifying faults in HPC systems as they occur and initiating corrective actions before they can transform into failures will be essential for continued operation. In this paper, we propose a fault classification method for HPC systems based on machine learning that has been designed specifically to operate with live streamed data. We cast the problem and its solution within realistic operating constraints of online use. Our results show that almost perfect classification accuracy can be reached for different fault types with low computational overhead and minimal delay. We have based our study on a local dataset, which we make publicly available, that was acquired by injecting faults to an in-house experimental HPC system.
We introduce a one-dimensional quasiperiodic mosaic model with analytically solvable mobility edges that exhibit different phase transitions depending on the system parameters. Specifically, by combining mosaic quasiperiodic next-nearest-neighbor hoppings and quasiperiodic on-site potentials, we rigorously demonstrate the existence of two distinct types of mobility edges: those separating extended and critical states, and those separating extended and localized states. Using Avila's global theory, we derive exact analytical expressions for these mobility edges and determine the parameter regimes where each type dominates. Our numerical calculations confirm these analytical results through fractal dimension analysis. Furthermore, we propose an experimentally feasible scheme to realize this model using Bose-Einstein condensates in optical lattices with engineered momentum-state transitions. We also investigate the effects of many-body interactions under mean-field approximation. Our work provides a fertile ground for studying the coexistence of different types of mobility edges in quasiperiodic systems and suggests a feasible experimental platform to observe and control these transitions.
Quantum computing (QC) introduces a novel mode of computation with the possibility of greater computational power that remains to be exploited - presenting exciting opportunities for high performance computing (HPC) applications. However, recent advancements in the field have made clear that QC does not supplant conventional HPC, but can rather be incorporated into current heterogeneous HPC infrastructures as an additional accelerator, thereby enabling the optimal utilization of both paradigms. The desire for such integration significantly affects the development of software for quantum computers, which in turn influences the necessary software infrastructure. To date, previous review papers have investigated various quantum programming tools (QPTs) (such as languages, libraries, frameworks) in their ability to program, compile, and execute quantum circuits. However, the integration effort with classical HPC frameworks or systems has not been addressed. This study aims to characterize existing QPTs from an HPC perspective, investigating if existing QPTs have the potential to be efficiently integrated with classical computing models and determining where work is still required. This work structures a set of criteria into an analysis blueprint that enables HPC scientists to assess whether a QPT is suitable for the quantum-accelerated classical application at hand.
We study the problem of adding native pulse-level control to heterogeneous High Performance Computing-Quantum Computing (HPCQC) software stacks, using the Munich Quantum Software Stack (MQSS) as a case study. The goal is to expand the capabilities of HPCQC environments by offering the ability for low-level access and control, currently typically not foreseen for such hybrid systems. For this, we need to establish new interfaces that integrate such pulse-level control into the lower layers of the software stack, including the need for proper representation. Pulse-level quantum programs can be fully described with only three low-level abstractions: ports (input/output channels), frames (reference signals), and waveforms (pulse envelopes). We identify four key challenges to represent those pulse abstractions at: the user-interface level, at the compiler level (including the Intermediate Representation (IR)), and at the backend-interface level (including the appropriate exchange format). For each challenge, we propose concrete solutions in the context of MQSS. These include introducing a compiled (C/C++) pulse Application Programming Interface (API) to overcome Python runtime overhead, extending its LLVM support to include pulse-related instructions, using its C-based backend interface to query relevant hardware constraints, and designing a portable exchange format for pulse sequences. Our integrated approach provides an end-to-end path for pulse-aware compilation and runtime execution in HPCQC environments. This work lays out the architectural blueprint for extending HPCQC integration to support pulse-level quantum operations without disrupting state-of-the-art classical workflows.
Upon absorbing a photon, the ionized electron sails through the target force field in attoseconds to reach free space. This navigation probes details of the potential landscape that get imprinted into the phase of the ionization amplitude. The Eisenbud-Wigner-Smith (EWS) time delay, the energy derivative of this phase, provides the navigation time relative to the time of the electron's ``free'' exit. This time is influenced by the diffraction of the electron from the potential landscape, offering structural and dynamical information about interactions. If the potential has an intrinsic symmetry, a regular pattern in the time delay, including subpatterns of delays and advances, may occur from the diffraction process. The recent synthesis of a polyhedral fluorocarbon instigates the current study of photoionization from a cubic molecule. Our simulation of the EWS delay unravels rich diffraction motifs within ±\pm100 attoseconds in both energy and angular distributions. Averaging over the Euler angles from the laboratory to the molecular frame and over the photoelectron azimuthal direction indicates that the pattern should be discernible in ultrafast chronoscopy. The study benchmarks diffraction in molecular photoionization as a fundamental process which can be experimentally accessed through ultrafast time delay.
Optical sensors can capture dynamic environments and derive depth information in near real-time. The quality of these digital reconstructions is determined by factors like illumination, surface and texture conditions, sensing speed and other sensor characteristics as well as the sensor-object relations. Improvements can be obtained by using dynamically collected data from multiple sensors. However, matching the data from multiple sensors requires a shared world coordinate system. We present a concept for transferring multi-sensor data into a commonly referenced world coordinate system: the earth's magnetic field. The steady presence of our planetary magnetic field provides a reliable world coordinate system, which can serve as a reference for a position-defined reconstruction of dynamic environments. Our approach is evaluated using magnetic field sensors of the ZED 2 stereo camera from Stereolabs, which provides orientation relative to the North Pole similar to a compass. With the help of inertial measurement unit informations, each camera's position data can be transferred into the unified world coordinate system. Our evaluation reveals the level of quality possible using the earth magnetic field and allows a basis for dynamic and real-time-based applications of optical multi-sensors for environment detection.
As High-Performance Computing (HPC) systems strive towards the exascale goal, failure rates both at the hardware and software levels will increase significantly. Thus, detecting and classifying faults in HPC systems as they occur and initiating corrective actions before they can transform into failures becomes essential for continued operation. Central to this objective is fault injection, which is the deliberate triggering of faults in a system so as to observe their behavior in a controlled environment. In this paper, we propose a fault classification method for HPC systems based on machine learning. The novelty of our approach rests with the fact that it can be operated on streamed data in an online manner, thus opening the possibility to devise and enact control actions on the target system in real-time. We introduce a high-level, easy-to-use fault injection tool called FINJ, with a focus on the management of complex experiments. In order to train and evaluate our machine learning classifiers, we inject faults to an in-house experimental HPC system using FINJ, and generate a fault dataset which we describe extensively. Both FINJ and the dataset are publicly available to facilitate resiliency research in the HPC systems field. Experimental results demonstrate that our approach allows almost perfect classification accuracy to be reached for different fault types with low computational overhead and minimal delay.
Recent High-Performance Computing (HPC) systems are facing important challenges, such as massive power consumption, while at the same time significantly under-utilized system resources. Given the power consumption trends, future systems will be deployed in an over-provisioned manner where more resources are installed than they can afford to power simultaneously. In such a scenario, maximizing resource utilization and energy efficiency, while keeping a given power constraint, is pivotal. Driven by this observation, in this position paper we first highlight the recent trends of resource management techniques, with a particular focus on malleability support (i.e., dynamically scaling resource allocations/requirements for a job), co-scheduling (i.e., co-locating multiple jobs within a node), and power management. Second, we consider putting them together, assess their relationships/synergies, and discuss the functionality requirements in each software component for future over-provisioned and power-constrained HPC systems. Third, we briefly introduce our ongoing efforts on the integration of software tools, which will ultimately lead to the convergence of malleability and power management, as it is designed in the HPC PowerStack initiative.
Quantum computing promises an effective way to solve targeted problems that are classically intractable. Among them, quantum computers built with superconducting qubits are considered one of the most advanced technologies, but they suffer from short coherence times. This can get exaggerated when they are controlled directly by general-purpose host machines, which leads to the loss of quantum information. To mitigate this, we need quantum control processors (QCPs) positioned between quantum processing units and host machines to reduce latencies. However, existing QCPs are built on top of designs with no or inefficient scalability, requiring a large number of instructions when scaling to more qubits. In addition, interactions between current QCPs and host machines require frequent data transmissions and offline computations to obtain final results, which limits the performance of quantum computers. In this paper, we propose a QCP called HiSEP-Q featuring a novel quantum instruction set architecture (QISA) and its microarchitecture implementation. For efficient control, we utilize mixed-type addressing modes and mixed-length instructions in HiSEP-Q, which provides an efficient way to concurrently address more than 100 qubits. Further, for efficient read-out and analysis, we develop a novel onboard accumulation and sorting unit, which eliminates the data transmission of raw data between the QCPs and host machines and enables real-time result processing. Compared to the state-of-the-art, our proposed QISA achieves at least 62% and 28% improvements in encoding efficiency with real and synthetic quantum circuits, respectively. We also validate the microarchitecture on a field-programmable gate array, which exhibits low power and resource consumption. Both hardware and ISA evaluations demonstrate that HiSEP-Q features high scalability and efficiency toward the number of controlled qubits.
We present 75 near-infrared (NIR; 0.8-2.5 μ\mum) spectra of 34 stripped-envelope core-collapse supernovae (SESNe) obtained by the Carnegie Supernova Project-II (CSP-II), encompassing optical spectroscopic Types IIb, Ib, Ic, and Ic-BL. The spectra range in phase from pre-maximum to 80 days past maximum. This unique data set constitutes the largest NIR spectroscopic sample of SESNe to date. NIR spectroscopy provides observables with additional information that is not available in the optical. Specifically, the NIR contains the resonance lines of He I and allows a more detailed look at whether Type Ic supernovae are completely stripped of their outer He layer. The NIR spectra of SESNe have broad similarities, but closer examination through statistical means reveals a strong dichotomy between NIR "He-rich" and "He-poor" SNe. These NIR subgroups correspond almost perfectly to the optical IIb/Ib and Ic/Ic-BL types, respectively. The largest difference between the two groups is observed in the 2 μ\mum region, near the He I λ\lambda2.0581 μ\mum line. The division between the two groups is not an arbitrary one along a continuous sequence. Early spectra of He-rich SESNe show much stronger He I λ\lambda2.0581 μ\mum absorption compared to the He-poor group, but with a wide range of profile shapes. The same line also provides evidence for trace amounts of He in half of our SNe in the He-poor group.
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