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Toward the end-to-end optimization of particle physics instruments with differentiable programming

Reviews in Physics 2023年 10卷

作者： Dorigo, Tommaso Giammanco, Andrea Vischia, Pietro Aehle, Max Bawaj, Mateusz Boldyrev, Alexey de Castro Manzano, Pablo Derkach, Denis Donini, Julien Edelen, Auralee Fanzago, Federica Gauger, Nicolas R. Glaser, Christian Baydin, Atılım G. Heinrich, Lukas Keidel, Ralf Kieseler, Jan Krause, Claudius Lagrange, Maxime Lamparth, Max Layer, Lukas Maier, Gernot Nardi, Federico Pettersen, Helge E.S. Ramos, Alberto Ratnikov, Fedor Röhrich, Dieter de Austri, Roberto Ruiz del Árbol, Pablo Martínez Ruiz Savchenko, Oleg Simpson, Nathan Strong, Giles C. Taliercio, Angela Tosi, Mia Ustyuzhanin, Andrey Zaraket, Haitham MODE Collaboration Istituto Nazionale di Fisica Nucleare Sezione di Padova Italy Université catholique de Louvain Belgium Chair for Scientific Computing Technische Universität Kaiserslautern Germany Università di Perugia and INFN Sezione di Perugia Italy HSE University Russia Université Clermont Auvergne Laboratoire de Physique de Clermont CNRS/IN2P3 France SLAC National Accelerator Laboratory United States Department of Physics and Astronomy Uppsala University Sweden Department of Computer Science University of Oxford United Kingdom Physik-Department Technische Universität München Germany Center for Technology and Transfer University of Applied Sciences Worms Germany CERN Switzerland NHETC Department of Physics and Astronomy Rutgers University United States Università di Napoli "Federico II" Italy Germany Università degli Studi di Padova Italy Department of Oncology and Medical Physics Haukeland University Hospital Norway Instituto de Física Corpuscular UV-CSIC Spain Department of Physics and Technology University of Bergen Norway Instituto de Física de Cantabria UC-CSIC Spain Lund University Sweden Multi-Disciplinary Physics Laboratory Optics and Fiber Optics Group Faculty of Sciences Lebanese University Lebanon the World Constructor University Bremen gGmbH Campus Ring 1 Bremen 28759 Germany

The full optimization of the design and operation of instruments whose functioning relies on the interaction of radiation with matter is a super-human task, due to the large dimensionality of the space of possible choices for geometry, detection technology, materials, data-acquisition, and information-extraction techniques, and the interdependence of the related parameters. On the other hand, massive potential gains in performance over standard, "experience-driven" layouts are in principle within our reach if an objective function fully aligned with the final goals of the instrument is maximized through a systematic search of the configuration space. The stochastic nature of the involved quantum processes make the modeling of these systems an intractable problem from a classical statistics point of view, yet the construction of a fully differentiable pipeline and the use of deep learning techniques may allow the simultaneous optimization of all design parameters. In this white paper, we lay down our plans for the design of a modular and versatile modeling tool for the end-to-end optimization of complex instruments for particle physics experiments as well as industrial and medical applications that share the detection of radiation as their basic ingredient. We consider a selected set of use cases to highlight the specific needs of different applications. © 2023 The Author(s)

关键词： Astrophysics

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Crystalline phase discriminating neutron tomography using advanced reconstruction methods

arXiv

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arXiv 2021年

作者： Ametova, Evelina Burca, Genoveva Chilingaryan, Suren Fardell, Gemma Jørgensen, Jakob S. Papoutsellis, Evangelos Pasca, Edoardo Warr, Ryan Turner, Martin Lionheart, William R.B. Withers, Philip J. Henry Royce Institute Department of Materials The University of Manchester M13 9PL United Kingdom Laboratory for Application of Synchrotron Radiation Karlsruhe Institute of Technology Germany ISIS Pulsed Neutron and Muon Source STFC UKRI Rutherford Appleton Laboratory United Kingdom Department of Mathematics The University of Manchester M13 9PL United Kingdom Institute for Data Processing and Electronics Karlsruhe Institute of Technology Germany Scientific Computing Department STFC UKRI Rutherford Appleton Laboratory United Kingdom Department of Applied Mathematics and Computer Science Technical University of Denmark Denmark Research IT Services The University of Manchester M13 9PL United Kingdom

Time-of-flight neutron imaging offers complementary attenuation contrast to X-ray computed tomography (CT), coupled with the ability to extract additional information from the variation in attenuation as a function of neutron energy (time of flight) at every point (voxel) in the image. In particular Bragg edge positions provide crystallographic information and therefore enable the identification of crystalline phases directly. Here we demonstrate Bragg edge tomography with high spatial and spectral resolution. We propose a new iterative tomographic reconstruction method with a tailored regularisation term to achieve high quality reconstruction from low-count data, where conventional filtered back-projection (FBP) fails. The regularisation acts in a separated mode for spatial and spectral dimensions and favours characteristic piece-wise constant and piecewise smooth behaviour in the respective dimensions. The proposed method is compared against FBP and a state-of-the-art regulariser for multi-channel tomography on a multi-material phantom. The proposed new regulariser which accommodates specific image properties outperforms both conventional and state-of-the-art methods and therefore facilitates Bragg edge fitting at the voxel level. The proposed method requires significantly shorter exposure to retrieve features of interest. This in turn facilitates more efficient usage of expensive neutron beamline time and enables the full utilisation of state-of-the-art high resolution detectors. © 2021, CC BY.

关键词： Iterative methods

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Towards Neural Charged Particle Tracking in Digital Tracking Calorimeters with Reinforcement Learning

TechRxiv

引用

TechRxiv 2022年

作者： Kortus, Tobias Keidel, Ralf Gauger, Nicolas R. Aehle, Max Alme, Johan Barnaföldi, Gergely Gábor Bodova, Tea Borshchov, Vyacheslav van den Brink, Anthony Chaar, Mamdouh Eikeland, Viljar Feofilov, Gregory Garth, Christoph Genov, Georgi Grøttvik, Ola Helstrup, Håvard Igolkin, Sergey Keidel, Ralf Kobdaj, Chinorat Leonhardt, Viktor Mehendale, Shruti Mulawade, Raju Ningappa Odland, Odd Harald O’Neill, George Papp, Gábor Peitzmann, Thomas Pettersen, Helge Egil Seime Piersimoni, Pierluigi Protsenko, Maksym Rauch, Max Rehman, Attiq Ur Richter, Matthias Röhrich, Dieter Santana, Joshua Schilling, Alexander Seco, Joao Songmoolnak, Arnon Sudár, Ákos Sølie, Jarle Rambo Tambave, Ganesh Tymchuk, Ihor Ullaland, Kjetil Varga-Kofarago, Monika Volz, Lennart Wagner, Boris Wendzel, Steffen Wiebel, Alexander Xiao, RenZheng Yang, Shiming Yokoyama, Hiroki Zillien, Sebastian University of Applied Sciences Worms Worms67549 Germany Chair for Scientific Computing TU Kaiserslautern Kaiserslautern67663 Germany Department of Physics and Technology University of Bergen Bergen5007 Norway Wigner Research Centre for Physics Budapest Hungary Kharkiv Ukraine Institute for Subatomic Physics Utrecht University/Nikhef Utrecht Netherlands St. Petersburg University St. Petersburg Russia Scientific Visualization Lab TU Kaiserslautern Kaiserslautern67663 Germany Department of Computer Science Electrical Engineering and Mathematical Sciences Western Norway University of Applied Sciences Bergen5020 Norway Institute of Science Suranaree University of Technology Nakhon Ratchasima Thailand Department of Oncology and Medical Physics Haukeland University Hospital Bergen5021 Norway Institute for Physics Eötvös Loránd University 1/A Pázmány P. Sétány BudapestH-1117 Hungary UniCamillus Saint Camillus International University of Health Sciences Rome Italy Department of Physics University of Oslo Oslo0371 Norway Department of Biomedical Physics in Radiation Oncology DKFZ—German Cancer Research Center Heidelberg Germany Department of Physics and Astronomy Heidelberg University Heidelberg Germany Budapest University of Technology and Economics Budapest Hungary Department of Diagnostic Physics Division of Radiology and Nuclear Medicine Oslo University Hospital Oslo Norway Bhubaneswar India Biophysics GSI Helmholtz Center for Heavy Ion Research GmbH Darmstadt Germany Department of Medical Physics and Biomedical Engineering University College London London United Kingdom College of Mechanical & Power Engineering China Three Gorges University Yichang China

We propose a novel technique for reconstructing charged particles in digital tracking calorimeters using reinforcement learning aiming to benefit from the rapid progress and success of neural network architectures without the dependency on simulated or manually-labeled data. Here we optimize by trial-and-error a behavior policy acting as an approximation to the full combinatorial optimization problem, maximizing the physical plausibility of sampled trajectories. In modern processing pipelines used in high energy physics and related applications, tracking plays an essential role allowing to identify and follow charged particle trajectories traversing particle detectors. Due to the high multiplicity of charged particles and their physical interactions, randomly deflecting the particles, the reconstruction is a challenging undertaking, requiring fast, accurate and robust algorithms. Our approach works on graph-structured data, capturing track hypotheses through edge connections between particles in the detector layers. We demonstrate in a comprehensive study on simulated data for a particle detector used for proton computed tomography, the high potential as well as the competitiveness of our approach compared to a heuristic search algorithm and a model trained on ground truth. Finally, we point out limitations of our approach, guiding towards a robust foundation for further development of reinforcement learning based tracking. © 2022, CC BY.

关键词： Reinforcement learning

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FAIR for AI: An interdisciplinary and international community building perspective

arXiv

引用

arXiv 2022年

作者： Huerta, E.A. Blaiszik, Ben Brinson, L. Catherine Bouchard, Kristofer E. Diaz, Daniel Doglioni, Caterina Duarte, Javier M. Emani, Murali Foster, Ian Fox, Geoffrey Harris, Philip Heinrich, Lukas Jha, Shantenu Katz, Daniel S. Kindratenko, Volodymyr Kirkpatrick, Christine R. Lassila-Perini, Kati Madduri, Ravi K. Neubauer, Mark S. Psomopoulos, Fotis E. Roy, Avik Rübel, Oliver Zhao, Zhizhen Zhu, Ruike Data Science and Learning Division Argonne National Laboratory LemontIL60439 United States Department of Computer Science University of Chicago ChicagoIL60637 United States Globus University of Chicago ChicagoIL60637 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Scientific Data Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Biological Systems & Engineering Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Helen Wills Neuroscience Institute University of California Berkeley BerkeleyCA94720 United States Department of Physics University of California La Jolla San DiegoCA92093 United States Lund University Department of Physics Box 118 Lund221 00 Sweden School of Physics & Astronomy The University of Manchester ManchesterM13 9PL United Kingdom Leadership Computing Facility Argonne National Laboratory LemontIL60439 United States Biocomplexity Institute Department of Computer Science University of Virginia CharlottesvilleVA22904 United States Department of Physics Massachusetts Institute of Technology CambridgeMA02139 United States Technical University Munich Arcisstraße 21 München80333 Germany Computational Science Initiative Brookhaven National Laboratory UptonNY11973 United States Electrical and Computer Engineering Rutgers The State University of New Jersey PiscatawayNJ08854 United States National Center for Supercomputing Applications University of Illinois Urbana-Champaign UrbanaIL61801 United States Department of Computer Science University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Electrical & Computer Engineering University of Illinois at Urbana-Champaign UrbanaIL61801 United States School of Information Sciences University of Illinois at Urbana-Champaign UrbanaIL61801 United States San Diego Supercomputer Center University of California La Jolla San DiegoCA

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The principles were also meant to apply to other digital assets, at a high level, and over time, the FAIR guiding principles have been reinterpreted or extended to include the software, tools, algorithms, and workflows that produce data. FAIR principles are now being adapted in the context of AI models and datasets. Here, we present the perspectives, vision, and experiences of researchers from different countries, disciplines, and backgrounds who are leading the definition and adoption of FAIR principles in their communities of practice, and discuss outcomes that may result from pursuing and incentivizing FAIR AI research. The material for this report builds on the FAIR for AI Workshop held at Argonne National Laboratory on June 7, 2022. Copyright © 2022, The Authors. All rights reserved.

关键词： Information management

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On complexity and convergence of high-order coordinate descent algorithms for smooth nonconvex box-constrained minimization

arXiv

引用

arXiv 2020年

作者： Amaral, V.S. Andreani, R. Birgin, Ernesto G. Marcondes, D.S. Martínez, J.M. Dept. of Applied Mathematics Institute of Mathematics Statistics and Scientific Computing University of Campinas SP Campinas13083-859 Brazil Dept. of Computer Science Institute of Mathematics and Statistics University of São Paulo Rua do Matão 1010 Cidade Universitária SP São Paulo05508-090 Brazil Dept. of Applied Mathematics Institute of Mathematics and Statistics University of São Paulo Rua do Matão 1010 Cidade Universitária SP São Paulo05508-090 Brazil

Coordinate descent methods have considerable impact in global optimization because global (or, at least, almost global) minimization is affordable for low-dimensional problems. Coordinate descent methods with high-order regularized models for smooth nonconvex box-constrained minimization are introduced in this work. High-order stationarity asymptotic convergence and first-order stationarity worst-case evaluation complexity bounds are established. The computer work that is necessary for obtaining first-order Ε-stationarity with respect to the variables of each coordinate-descent block is O(Ε−(p+1)/p) whereas the computer work for getting first-order Ε-stationarity with respect to all the variables simultaneously is O(Ε−(p+1)). Numerical examples involving multidimensional scaling problems are presented. The numerical performance of the methods is enhanced by means of coordinate-descent strategies for choosing initial *** Codes 90C30, 65K05, 49M37, 90C60, 68Q25 Copyright © 2020, The Authors. All rights reserved.

关键词： Constrained optimization

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Singularly perturbed oscillators with exponential nonlinearities

arXiv

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arXiv 2019年

作者： Jelbart, S. Kristiansen, K.U. Szmolyan, P. Wechselberger, And M. School of Mathematics & Statistics University of Sydney CamperdownNSW2006 Australia Department of Applied Mathematics and Computer Science Technical University of Denmark Lyngby Kgs.2800 Denmark Institute for Analysis and Scientific Computing Vienna University of Technology Wiedner Hauptstrae 8-10 Vienna1040 Austria

Singular exponential nonlinearities of the form eh(x)Ε−1 with Ε > 0 small occur in many different applications. These terms have essential singularities for Ε = 0 leading to very different behaviour depending on the sign of h. In this paper, we consider two prototypical singularly perturbed oscillators with such exponential nonlinearities. We apply a suitable normalization for both systems such that the Ε → 0 limit is a piecewise smooth system. The convergence to this nonsmooth system is exponential due to the nonlinearities we study. By working on the two model systems we use a blow-up approach to demonstrate that this exponential convergence can be harmless in some cases while in other scenarios it can lead to further degeneracies. For our second model system, we deal with such degeneracies due to exponentially small terms by extending the space dimension, following the approach in [20], and prove - for both systems - existence of (unique) limit cycles by perturbing away from singular cycles having desirable hyperbolicity properties. Copyright © 2019, The Authors. All rights reserved.

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The computation of seismic normal modes with rotation as a quadratic eigenvalue problem

arXiv

引用

arXiv 2019年

作者： Shi, Jia Li, Ruipeng Xi, Yuanzhe Saad, Yousef de Hoop, Maarten V. Department of Earth Environmental and Planetary Sciences Rice University United States Center for Applied Scientific Computing Lawrence Livermore National Laboratory LivermoreCA United States Department of Mathematics Emory University AtlantaGA United States Department of Computer Science and Engineering University of Minnesota MN United States Simons Chair in Computational and Applied Mathematics and Earth Science Rice University HoustonTX United States

A new approach is presented to compute the seismic normal modes of a fully heterogeneous, rotating planet. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method (FMM). To solve the resulting quadratic eigenvalue problem (QEP), the approach utilizes extended Lanczos vectors forming a subspace computed from a non-rotating planet – with the shape of boundaries of a rotating planet and accounting for the centrifugal potential – to reduce the dimension of the original problem significantly. The subspace is guaranteed to be contained in the space of functions to which the seismic normal modes belong. The reduced system can further be solved with a standard eigensolver. The computational accuracy is illustrated using all the modes with relative small meshes and also tested against standard perturbation calculations relative to a standard Earth model. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Mars models studying the effects of heterogeneity on a large range of scales. Copyright © 2019, The Authors. All rights reserved.

关键词： Seismology

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Evaluating the Impact of Energy Efficient Networks on HPC Workloads

Evaluating the Impact of Energy Efficient Networks on HPC Wo...

引用

International Conference on High Performance computing

作者： Giorgis Georgakoudis Nikhil Jain Takatsugu Ono Koji Inoue Shinobu Miwa Abhinav Bhatele Center for Applied Scientific Computing Lawrence Livermore National Labor0atory NVIDIA Inc. Department of Advanced Information Technology Kyushu University Department of Informatics Kyushu University Department of Information System Fundamentals The University of Electro-Communications Department of Computer Science University of Maryland College Park

ISBN: (纸本)9781728145365

Interconnection networks grow larger as supercomputers include more nodes and require higher bandwidth for performance. This scaling significantly increases the fraction of power consumed by the network, by increasing the number of network components (links and switches). Typically, network links consume power continuously once they are turned on. However, recent proposals for energy efficient interconnects have introduced low-power operation modes for periods when network links are idle. Low-power operation can increase messaging time when switching a link from low-power to active operation. We extend the TraceR-CODES network simulator for power modeling to evaluate the impact of energy efficient networking on power and performance. Our evaluation presents the first study on both single-job and multi-job execution to realistically simulate power consumption and performance under congestion for a large-scale HPC network. Results on several workloads consisting of HPC proxy applications show that single-job and multi-job execution favor different modes of low power operation to have significant power savings at the cost of minimal performance degradation.

关键词： Delays Power demand Transmitters Receivers Ethernet Standards Proposals

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A non-perturbative approach to computing seismic normal modes in rotating planets

arXiv

引用

arXiv 2019年

作者： Shi, Jia Li, Ruipeng Xi, Yuanzhe Saad, Yousef de Hoop, Maarten V. Department of Earth Environmental and Planetary Sciences Rice University TX United States Center for Applied Scientific Computing Lawrence Livermore National Laboratory CA United States Department of Mathematics Emory University AtlantaGA United States Department of Computer Science and Engineering University of Minnesota MN United States Department of Computational and Applied Mathematics Rice University TX United States

MSC Codes 86-08, 86-04, 85-04, 85-08, 85-10, 15A18, 65N25, 65N30A Continuous Galerkin method based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filtering eigensolver. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method. Our discretization utilizes fully unstructured tetrahedral meshes for both solid and fluid regions. The relevant eigenvalue problem is solved by a combination of several highly parallel and computationally efficient methods. We validate our three-dimensional results in the non-rotating case using analytical results for constant elastic balls, as well as numerical results for an isotropic Earth model from standard "radial" algorithms. We also validate the computations in the rotating case, but only in the slowly-rotating regime where perturbation theory applies, because no other independent algorithms are available in the general case. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Earth and Mars models studying the effects of heterogeneity on a large range of scales. Copyright © 2019, The Authors. All rights reserved.

关键词： Seismology

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Flow-based local graph clustering with better seed set inclusion

arXiv

引用

arXiv 2018年

作者： Veldt, Nate Klymko, Christine Gleich, David F. Mathematics Department Purdue University Center for Applied Scientific Computing Lawrence Livermore National Laboratory Dept. of Computer Science Purdue University

Flow-based methods for local graph clustering have received significant recent attention for their theoretical cut improvement and runtime guarantees. In this work we present two improvements for using flow-based methods in real-world semi-supervised clustering problems. Our first contribution is a generalized objective function that allows practitioners to place strict and soft penalties on excluding specific seed nodes from the output set. This feature allows us to avoid the tendency, often exhibited by previous flow-based methods, to contract a large seed set into a small set of nodes that does not contain all or even most of the seed nodes. Our second contribution is a fast algorithm for minimizing our generalized objective function, based on a variant of the push-relabel algorithm for computing preflows. We make our approach very fast in practice by implementing a global relabeling heuristic and employing a warm-start procedure to quickly solve related cut problems. In practice our algorithm is faster than previous related flow-based methods, and is also more robust in detecting ground truth target regions in a graph, thanks to its ability to better incorporate semi-supervised information about target clusters. Copyright © 2018, The Authors. All rights reserved.

关键词： Clustering algorithms

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