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IEEE International Symposium on Parallel and Distributed Processing Workshops and Phd Forum (IPDPSW)

作者： Trevor Steil Scott McMillan Geoffrey Sanders Roger Pearce Benjamin Priest School of Mathematics University of Minnesota Minneapolis MN USA Software Engineering Institute Carnegie Mellon University Pittsburgh PA USA Center for Applied Scientific Computing (CASC) Lawrence Livermore National Laboratory (LLNL) Livermore CA USA

ISBN: (数字)9781728174457

ISBN: (纸本)9781728174570

We demonstrate nonstochastic Kronecker graph generators produce massive-scale bipartite graphs with ground truth global and local properties and discuss their use for validation of graph analytics. Given two small connected scale-free graphs with adjacency matrices A and B, their Kronecker product graph [1] has adjacency matrix C = A ⊗ B. We first demonstrate that having one factor A non-bipartite (alternatively, adding all self loops to a bipartite A) with other factor B bipartite ensures G C is bipartite and connected. Formulas for ground truth of many graph properties (including degree, diameter, and eccentricity) carry over directly from the general case presented in previous work [2], [3]. However, the analysis of higher-order structure and dense structure is different in bipartite graphs, as no odd-length cycles exist (including triangles) and the densest possible structures are bicliques. We derive formulas to give ground truth for 4-cycles (a.k.a. squares or butterflies) at every vertex and edge in G C . Additionally, we demonstrate that bipartite communities (dense vertex subsets) in the factors A, B yield dense bipartite communities in the Kronecker product C. We additionally discuss interesting properties of Kronecker product graphs revealed by the formulas an their impact on using them as benchmarks with ground truth for various complex analytics. For example, for connected A and B of nontrivial size, G C has 4-cycles at vertices/edges associated with vertices/edges in A and B that have none, making it difficult to generate graphs with ground truth bipartite generalizations of truss decomposition (e.g. the k-wing decomposition of [4]).

关键词： Bipartite graph Generators Indexes Software engineering Benchmark testing Data analysis

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Improving the accuracy and efficiency of quantum connected moments expansions

arXiv

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arXiv 2021年

作者： Claudino, Daniel Peng, Bo Bauman, Nicholas P. Kowalski, Karol Humble, Travis S. Oak Ridge National Laboratory Quantum Computing Institute Oak RidgeTN37831 United States Computer Science and Mathematics Oak Ridge National Laboratory Oak RidgeTN37831 United States Pacific Northwest National Laboratory Physical Sciences Division RichlandWA99352 United States Computational Sciences and Engineering Oak Ridge National Laboratory Oak RidgeTN37831 United States

The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become ubiquitous, using the functional form of the ansatz as a degree of freedom, whose parameters are found variationally in a feedback loop between the quantum processor and its conventional counterpart. Alternatively, a promising new avenue has been unraveled by the quantum variants of techniques grounded on expansions of the moments of the Hamiltonian, among which two stand out: The connected moments expansion (CMX) [Phys. Rev. Lett. 58, 53 (1987)] and the Peeters-Devreese-Soldatov (PDS) functional [J. Phys. A 17, 625 (1984);Int. J. Mod. Phys. B 9, 2899], the latter based on the standard moments . Contrasting with VQE-based methods and provided the quantum circuit prepares a state with non-vanishing overlap with the true ground state, CMX often converges to the ground state energy, while PDS is guaranteed to converge by virtue of being variational. However, for a finite CMX/PDS order, the circuit may significantly impact the energy accuracy. Here we use the ADAPT-VQE algorithm to test shallow circuit construction strategies that are not expected to impede their implementation in the present quantum hardware while granting sizable accuracy improvement in the computed ground state energies. We also show that we can take advantage of the fact that the terms in the connected moments are highly recurring in different powers, incurring a sizable reduction in the number of necessary measurements. By coupling this measurement caching with a threshold that determines whether a given term is to be measured based on its associated scalar coefficient, we observe a further reduction in the number of circuit implementations while allowing for tunable accuracy. Copyright © 2021, The Authors. All rights reserved.

关键词： Quantum chemistry

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Leveraging randomized compiling for the quantum imaginary-time-evolution algorithm

引用

Physical Review Research 2022年第3期4卷 033140-033140页

作者： Jean-Loup Ville Alexis Morvan Akel Hashim Ravi K. Naik Marie Lu Bradley Mitchell John-Mark Kreikebaum Kevin P. O'Brien Joel J. Wallman Ian Hincks Joseph Emerson Ethan Smith Ed Younis Costin Iancu David I. Santiago Irfan Siddiqi Quantum Nanoelectronics Laboratory Dept. of Physics University of California at Berkeley Berkeley California 94720 USA Computational Research Division Lawrence Berkeley National Lab Berkeley California 94720 USA Materials Sciences Division Lawrence Berkeley National Lab Berkeley California 94720 USA Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge Massachusetts 02139 USA Inst. for Quantum Computing and Dept. of Applied Mathematics University of Waterloo Waterloo Ontario Canada N2L 3G1 Quantum Benchmark Inc. Kitchener Ontario Canada N2H 5G5

Recent progress in noisy intermediate-scale quantum (NISQ) hardware shows that quantum devices may be able to tackle complex problems even without error correction. However, coherent errors due to the increased complexity of these devices is an outstanding issue. They can accumulate through a circuit, making their impact on algorithms hard to predict and mitigate. Iterative algorithms like quantum imaginary time evolution are susceptible to these errors. This article presents the combination of both noise tailoring using randomized compiling and error mitigation with purification. We also show that cycle benchmarking gives an estimate of the reliability of the purification. We apply this method to the quantum imaginary time evolution of a transverse field Ising model and report an energy estimation error and a ground-state infidelity both below 1%. Our methodology is general and can be used for other algorithms and platforms. We show how combining noise tailoring and error mitigation will push forward the performance of NISQ devices.

关键词： Measurement-based quantum computing Quantum algorithms Quantum benchmarking Quantum computation Quantum control Quantum information processing Quantum simulation

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Introductory physics lab instructors’ perspectives on measurement uncertainty

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Physical Review Physics Education Research 2021年第1期17卷 010133-010133页

作者： Benjamin Pollard Robert Hobbs Rachel Henderson Marcos D. Caballero H. J. Lewandowski Department of Physics University of Colorado Boulder Boulder Colorado 80309 USA JILA National Institute of Standards and Technology and the University of Colorado Boulder Colorado 80309 USA Department of Physics Bellevue College Bellevue Washington 98007 USA Department of Physics & Astronomy and CREATE for STEM Institute Michigan State University East Lansing Michigan 48824 USA Department of Computational Mathematics Science & Engineering Michigan State University East Lansing Michigan 48824 USA Department of Physics and Center for Computing in Science Education University of Oslo 0315 Oslo Norway

Introductory physics lab courses serve as the starting point for students to learn and experience experimental physics at the undergraduate level. They often focus on measurement uncertainty, an essential topic for practicing physicists and a foundation for more advanced lab learning. As such, measurement uncertainty has been a focus when studying and improving introductory physics lab courses. There is a need for a research-based assessment explicitly focused on measurement uncertainty that captures the breadth of learning related to the topic, and that has been developed and documented in an evidence-centered way. In this work, we present the first step in the development of such an assessment, with the goal of establishing the breadth and depth of the domain of measurement uncertainty in introductory physics labs. We conducted and analyzed interviews with introductory physics lab instructors across the US, identifying prevalent concepts and practices related to measurement uncertainty, and their level of emphasis in introductory physics labs. We find that instructors discuss a range of measurement uncertainty topics beyond basic statistical ideas like mean and standard deviation, including those connected to modeling, another lab learning goal. We describe how these findings will be used in the subsequent development of the assessment, called the Survey Of Physics Reasoning On Uncertainty Concepts In Experiments (SPRUCE).

关键词： Assessment Research methodology Faculty Lower undergraduate students

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PIRA: Performance instrumentation refinement automation 5

PIRA: Performance instrumentation refinement automation

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5th ACM SIGPLAN International Workshop on Artificial Intelligence and Empirical Methods for Software engineering and Parallel computing Systems, AI-SEPS 2018, c-located with the ACM SIGPLAN Conference on Systems, Programming, Languages and Applications: Software for Humanity, SPLASH 2018

作者： Lehr, Jan-Patrick Hück, Alexander Bischof, Christian Institute for Scientific Computing Graduate School of Computational Engineering Technische Universität Darmstadt Darmstadt Germany

ISBN: (纸本)9781450360678

In this paper we present PIRA - an infrastructure for automatic instrumentation refinement for performance analysis. It automates the generation of an initial performance overview measurement and gradually refines it, based on the recorded runtime information. This can help a performance analyst with the time consuming and largely manual, yet mechanical, task of selecting which functions to capture in subsequent measurements. PIRA implements an existing aggregation strategy that heuristically determines which functions to include for initial overview measurements. Moreover, it implements a newly developed heuristic to incorporate profile information and expand instrumentation in hot-spot regions only. The approach is evaluated on different benchmarks, including the SU2 multi-physics solver package. PIRA is able to generate instrumentation configurations that contain the application's hot-spot, but generate significantly less overhead when compared to the Score-P reference measurement. © 2018 held by the owner/author(s).

关键词： Automation

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QuaSiMo: A composable library to program hybrid workflows for quantum simulation

arXiv

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arXiv 2021年

作者： Nguyen, Thien Bassman, Lindsay Lotshaw, Phillip C. Lyakh, Dmitry McCaskey, Alexander Leyton-Ortega, Vicente Pooser, Raphael Elwasif, Wael Humble, Travis S. de Jong, Wibe A. Computer Science & Mathematics Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Computational Research Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Computer Science and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Quantum Computing Institute Oak Ridge National Laboratory Oak RidgeTN37831 United States

We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data structures and methods that enable programming of a broad variety of complex hybrid quantum simulation applications. The abstract core of our scheme is distilled from the analysis of the current quantum simulation algorithms. Subsequently, it allows a synthesis of new hybrid algorithms and workflows via the extension, specialization, and dynamic customization of the abstract core classes defined by our design. We implement our design scheme using the hardware-agnostic programming language QCOR into the QuaSiMo library. To validate our implementation, we test and show its utility on commercial quantum processors from IBM and Rigetti, running some prototypical quantum simulations. Copyright © 2021, The Authors. All rights reserved.

关键词： Quantum chemistry

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Composable programming of hybrid workflows for quantum simulation

arXiv

引用

arXiv 2021年

作者： Nguyen, Thien Bassman, Lindsay Lyakh, Dmitry McCaskey, Alexander Leyton-Ortega, Vicente Pooser, Raphael Elwasif, Wael Humble, Travis S. de Jong, Wibe A. Computer Science and Mathematics Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Computational Research Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Computer Science and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Quantum Computing Institute Oak Ridge National Laboratory Oak RidgeTN37831 United States

We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data structures and methods that enable programming of a broad variety of complex hybrid quantum simulation applications. The abstract core of our scheme is distilled from the analysis of the current quantum simulation algorithms. Subsequently, it allows a synthesis of new hybrid algorithms and workflows via the extension, specialization, and dynamic customization of the abstract core classes defined by our design. We implement our design scheme using the hardware-agnostic programming language QCOR into the QuaSiMo library. To validate our implementation, we test and show its utility on commercial quantum processors from IBM, running some prototypical quantum simulations. Copyright © 2021, The Authors. All rights reserved.

关键词： Quantum chemistry

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AstroMLab 1: Who Wins Astronomy Jeopardy!?

arXiv

引用

arXiv 2024年

作者： Ting, Yuan-Sen Nguyen, Tuan Dung Ghosal, Tirthankar Pan, Rui Arora, Hardik Sun, Zechang de Haan, Tijmen Ramachandra, Nesar Wells, Azton Madireddy, Sandeep Accomazzi, Alberto Research School of Astronomy & Astrophysics Australian National University Cotter Rd. WestonACT2611 Australia School of Computing Australian National University ActonACT2601 Australia Department of Astronomy The Ohio State University ColumbusOH43210 United States The Ohio State University ColumbusOH43210 United States Department of Computer and Information Science University of Pennsylvania PhiladelphiaPA19104 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Department of Computer Science and Engineering Hong Kong University of Science and Technology Kowloon Hong Kong Indian Institute of Technology Patna Bihar Bihta801106 India Department of Astronomy MongManWai Building Tsinghua University Beijing100084 China Institute of Particle and Nuclear Studies High Energy Accelerator Research Organization Ibaraki Tsukuba305-0801 Japan Ibaraki Tsukuba305-0801 Japan Computational Science Division Argonne National Laboratory LemontIL60439 United States Mathematics and Computer Science Division Argonne National Laboratory LemontIL60439 United States Center for Astrophysics Harvard & Smithsonian CambridgeMA02138 United States

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics.a) Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. open-weights models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future. © 2024, CC BY.

关键词： Astrophysics

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Astromlab 1: Who Wins Astronomy Jeopardy!?

SSRN

引用

SSRN 2024年

作者： Ting, Yuan-Sen Nguyen, Tuan Dung Ghosal, Tirthankar Pan, Rui Arora, Hardik Sun, Zechang de Haan, Tijmen Ramachandra, Nesar Wells, Azton Madireddy, Sandeep Accomazzi, Alberto Research School of Astronomy & Astrophysics Australian National University Cotter Rd. WestonACT2611 Australia School of Computing Australian National University ActonACT2601 Australia Department of Astronomy The Ohio State University ColumbusOH43210 United States The Ohio State University ColumbusOH43210 United States Department of Computer and Information Science University of Pennsylvania PhiladelphiaPA19104 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Department of Computer Science and Engineering Hong Kong University of Science and Technology Kowloon Hong Kong Indian Institute of Technology Patna Bihar Bihta801106 India Department of Astronomy Tsinghua University MongManWai Building Beijing100084 China Institute of Particle and Nuclear Studies High Energy Accelerator Research Organization Ibaraki Tsukuba305-0801 Japan Ibaraki Tsukuba305-0801 Japan Computational Science Division Argonne National Laboratory LemontIL60439 United States Mathematics and Computer Science Division Argonne National Laboratory LemontIL60439 United States Center for Astrophysics Harvard & Smithsonian CambridgeMA02138 United States

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics. Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. open-weights models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future. © 2024, The Authors. All rights reserved.

关键词： Astrophysics

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Mixed frameworks and structure preserving integration for coupled electro-elastodynamics

Mixed frameworks and structure preserving integration for co...

引用

90th Annual Meeting of the International Association of Applied mathematics and Mechanics, GAMM 2019

作者： Franke, Marlon Ortigosa, Rogelio Janz, Alexander Gil, Antonio J. Betsch, Peter Karlsruhe Institute of Technology Institute of Mechanics Otto-Ammann-Platz 9 Karlsruhe76131 Germany Technical University of Cartagena Computational Mechanics & Scientific Computing Group Cartagena30202 Spain Swansea University Zienkiewicz Centre for Computational Engineering Fabian Way SwanseaSA1 8EN United Kingdom

In the present contribution new approaches for the design of structure preserving time integrators for nonlinear coupled problems are proposed. Polyconvexity inspired energy functionals are obtained by using the rediscovered tensor cross product which greatly simplifies the algebra, see [1]. In this connection an extended kinematic set, consisting of the right CauchyGreen tensor, its co-factor and its Jacobian, is introduced. On this basis coupled problems like e.g. non-linear thermoelastodynamics, see [2] or electro-elastodynamics, see [3], can be considered. Furthermore the formulations are readily extendible for mixed Hu-Washizu type formulations where the extended kinematic set is introduced as unknown field. In particular in [1] an elegant cascade system of kinematic constraints was introduced for elastodynamics, crucial for the satisfaction of the required conservation properties of a new family of energy momentum (EM) consistent time integrators. The objective of the present contribution is the introduction of new mixed variational principles for EM consistent time integrators in electro-elastodynamics, hence bridging the gap between the previous works [3] and [1], opening the possibility to a variety of new finite element implementations, see [4]. The following characteristics of the proposed EM consistent time integrator make it very appealing: (i) the new family of time integrators can be shown to be thermodynamically consistent and second order accurate;(ii) piecewise discontinuous interpolation of the mixed fields is carried out in order to obtain a computational cost comparable to that of standard displacement, electric potential formulations. Eventually, the superior numerical performance of the proposed formulation is demonstrated. © 2019 The Authors Proceedings in Applied mathematics & Mechanics published by Wiley-VCH Verlag GmbH & Co. KGaA Weinheim.

关键词： Kinematics

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