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At least 703 records · Page 39

Novel usage of deep learning and high-performance computing in long-baseline neutrino oscillation experiments

Mención Internacional en el título de doctorDeep-learning methods are playing a crucial role in numerous scientific and industrialapplications. Over the past two decades, these techniques have helped in the collection,reconstruction, and analysis of large data samples in particle physics experiments. Themain topic of this PhD research is the study of deep-learning techniques in long-baselineneutrino oscillation experiments. Neutrinos are mysterious light elementary particles,and their investigation is essential to shed light on some of the remaining open questionsin physics. The work presented here describes an algorithm based on a convolutionalneural network developed to provide highly accurate and efficient selections of electronneutrino and muon neutrino interactions in the Deep Underground Neutrino Experiment(DUNE). With this algorithm, the electron neutrino (antineutrino) selection efficiencypeaks at 90% (94%) and exceeds 85% (90%) for reconstructed neutrino energies between2-5 GeV. The selection efficiency for muon neutrino (antineutrino) interactions is foundto have a maximum of 96% (97%) and exceeds 90% (95%) efficiency for reconstructedneutrino energies above 2 GeV. When considering all electron neutrino and antineutrinointeractions as signal (both those appearing from oscillations and those intrinsic tothe beam), a selection purity of 90% is achieved. These event selections are criticalto maximise the sensitivity of the experiment to CP-violating effects, key to furtherunderstand the matter-antimatter asymmetry of the Universe.In high-energy physics experiments, deep learning has also been explored for producingfast simulations and physically-motivated manipulations of simulated images. Some ofthose simulations, such as the light production and detection, are very computationallyexpensive and require novel methods to produce the necessary samples while controllingthe varied underlying physics model parameters. To do so, we invented the model-assistedgenerative adversarial network (MAGAN), first validated on simple generic case studiesand then successfully applied to the DUNE photon-detector simulation.Moreover, we also developed graph neural networks for 3D-voxel classification ofambiguities and optical crosstalk for a different particle physics experiment, most preciselyfor the proposed SuperFGD. This novel 3D-granular plastic-scintillator neutrino detectorwill be used to upgrade the near detector of the T2K neutrino oscillation experiment, and our method reports efficiencies and purities of 94-96% per event in the classificationof particle track voxels.Due to the growth and complexity of deep neural networks, researchers have beeninvestigating techniques to train those networks in a more computationally-efficient way.Many efforts have been made by the community to optimise deep-learning models byparallelising or distributing their training computation across multiple devices. In thisthesis, we study an approach based on data locality for those neural networks that cannotbenefit from scaling their computation due to a significant bottleneck in the data I/O.The research also includes a detailed study on the performance of deep neural networkson hardware accelerator boards.Los métodos de aprendizaje profundo son cada vez más utilizados en numerosas aplicacionescientíficas e industriales hoy en día. Durante las dos últimas décadas, estastécnicas se han empleado en la recolección, reconstrucción y análisis de la gran cantidadde datos generados por experimentos de física de partículas. El tema principal de estatesis doctoral es el uso de estos modelos de aprendizaje profundo en experimentos defísica de neutrinos, en concreto en los experimentos de larga distancia DUNE y T2K. Losneutrinos, partículas fundamentales neutras, de las más ligeras del Universo, pueden serclave para explicar algunas de las cuestiones todavía sin resolver en física fundamental.Entre las diferentes contribuciones que esta tesis ha hecho a su estudio, cabe destacar eldesarrollo de un algoritmo basado en una red de neuronas convolucional para seleccionarcon gran eficiencia y precisión las interacciones de neutrinos electrónicos y muónicos enel Deep Underground Neutrino Experiment (DUNE). La eficiencia de selección obtenidapara neutrinos (antineutrinos) electrónicos alcanza un máximo del 90% (94%) y supera el85% (90%) para neutrinos con energías reconstruidas en el rango 2-5 GeV. La selección deneutrinos (antineutrinos) muónicos tiene una eficiencia máxima del 96% (97%) y excedeel 90% (95%) para neutrinos con energías reconstruidas de más de 2 GeV. Considerandocomo señal todas las interacciones de neutrinos y antineutrinos electrónicos (procedentestanto de oscilaciones como intrínsecos en el haz inicial), se logra una pureza en la seleccióndel 90%. Dichas selecciones de eventos son fundamentales para maximizar la sensibilidaddel experimento a los efectos de violació...

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CMS Experience with Adoption of the Community supported DD4hep Toolkit

DD4hep is an open-source software toolkit that provides comprehensive and complete generic detector descriptions for high energy physics (HEP) detectors. The Compact Muon Solenoid collaboration (CMS) has recently evaluated and adopted DD4hep to replace its custom detector description software. CMS has demanding software requirements as a very large, longrunning experiment that must support legacy geometries and study many possible upgraded detector designs of a constantly evolving detector that will be taking data for many years to come. CMS has chosen DD4hep since it is a high-quality, community-supported solution that will benefit from continuing modernization and maintenance. This presentation will discuss the issues of DD4hep adoption, the advantages and disadvantages of the various design choices, performance results, and the integration of the plugin systems from CMS and Gaudi, another open-source software framework. Recommendations about DD4hep based upon the CMS use cases will also be presented.

Vuosalo, Carl↗

Bringing heterogeneity to the CMS software framework

The advent of computing resources with co-processors, for example Graphics Processing Units (GPU) or Field-Programmable Gate Arrays (FPGA), for use cases like the CMS High-Level Trigger (HLT) or data processing at leadership-class supercomputers imposes challenges for the current data processing frameworks. These challenges include developing a model for algorithms to offload their computations on the co-processors as well as keeping the traditional CPU busy doing other work. The CMS data processing framework, CMSSW, implements multithreading using the Intel Threading Building Blocks (TBB) library, that utilizes tasks as concurrent units of work. In this paper we will discuss a generic mechanism to interact effectively with non-CPU resources that has been implemented in CMSSW. In addition, configuring such a heterogeneous system is challenging. In CMSSW an application is configured with a configuration file written in the Python language. The algorithm types are part of the configuration. The challenge therefore is to unify the CPU and co-processor settings while allowing their implementations to be separate. We will explain how we solved these challenges while minimizing the necessary changes to the CMSSW framework. We will also discuss on a concrete example how algorithms would offload work to NVIDIA GPUs using directly the CUDA API.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Extending Rucio with modern cloud storage support

Rucio is a software framework designed to facilitate scientific collaborations in efficiently organising, managing, and accessing extensive volumes of data through customizable policies. The framework enables data distribution across globally distributed locations and heterogeneous data centres, integrating various storage and network technologies into a unified federated entity. Rucio offers advanced features like distributed data recovery and adaptive replication, and it exhibits high scalability, modularity, and extensibility. Originally developed to meet the requirements of the high-energy physics experiment ATLAS, Rucio has been continuously expanded to support LHC experiments and diverse scientific communities. Recent R&D projects within these communities have evaluated the integration of both private and commercially-provided cloud storage systems, leading to the development of additional functionalities for seamless integration within Rucio. Furthermore, the underlying systems, FTS and GFAL/Davix, have been extended to cater to specific use cases. This contribution focuses on the technical aspects of this work, particularly the challenges encountered in building a generic interface for self-hosted cloud storage, such as MinIO or CEPH S3 Gateway, and established providers like Google Cloud Storage and Amazon Simple Storage Service. Additionally, the integration of decentralised clouds like SEAL is explored. Key aspects, including authentication and authorisation, direct and remote access, throughput and cost estimation, are highlighted, along with shared experiences in daily operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Energy-Casimir, dynamically accessible, and Lagrangian stability of extended magnetohydrodynamic equilibria

The formal stability analysis of Eulerian extended magnetohydrodynamics (XMHD) equilibria is considered within the noncanonical Hamiltonian framework by means of the energy-Casimir variational principle and the dynamically accessible stability method. Specifically, we find explicit sufficient stability conditions for axisymmetric XMHD and Hall MHD (HMHD) equilibria with toroidal flow and for equilibria with arbitrary flow under constrained perturbations. The dynamically accessible, second-order variation of the Hamiltonian, which can potentially provide explicit stability criteria for generic equilibria, is also obtained. Moreover, we examine the Lagrangian stability of the general quasineutral two-fluid model written in terms of MHD-like variables, by finding the action and the Hamiltonian functionals of the linearized dynamics, working within a mixed Lagrangian-Eulerian framework. Upon neglecting electron mass, we derive a HMHD energy principle, and in addition, the perturbed induction equation arises from Hamilton’s equations of motion in view of a consistency condition for the relation between the perturbed magnetic potential and the canonical variables.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A collective elastic fluctuation mechanism for decoupling and stretched relaxation in glassy colloidal and molecular liquids

We propose a microscopic theory for the decoupling of self-diffusion and structural relaxation in glass-forming liquids within the Elastically Collective Nonlinear Langevin Equation (ECNLE) activated dynamics framework. Our central hypothesis is that the heterogeneity relevant to this problem is static fluctuations of local density on the scale of 3–4 particle diameters and how this changes local packing correlations. These fluctuations modify the degree of dynamical cage expansion that mechanistically couples intracage large amplitude hopping and longer range collective elasticity in ECNLE theory. Decoupling only emerges in the deeply supercooled regime where the strongly temperature dependent elastic barrier becomes non-negligible relative to its noncooperative local analog. The theory makes predictions for various aspects of the decoupling phenomenon, including apparent fractional power law Stokes-Einstein behavior, that appear to be consistent with experiments and simulations on hard sphere fluids and molecular liquids. Of central importance is a microscopic connection between the barrier fluctuation variance and most probable barrier height. Sensible results are also obtained for the nonexponential stretching of a generic relaxation time correlation function and its temperature evolution. Nonuniversality can arise from the relative importance of the local and collective barriers (related to fragility) and the precise magnitude of the length scale that defines the transition from local cage to elastic physics. Comparison is made with a traplike model based on a Gaussian distribution of barriers.

Xie, Shi-Jie (ORCID:0000000333174720)↗

A description of structured waves in shock compressed particulate composites

Dynamic compression of composite materials is of scientific interest because the mechanical mismatch between internal phases challenges continuum theories. Typical assumptions about steady wave propagation and quasi-instantaneous state changes require reexamination along with the need for time-dependent models. To that end, data and models are presented here for the shock compression of an idealized particulate composite. To serve as a generic representative of this material class, a polymer matrix was filled with tungsten particles, ranging from 1 to 50 vol. %. This creates a simple microstructure containing randomly scattered particles with an extreme impedance mismatch to the binding matrix. These materials were parallel plate impact loaded by Al flyers traveling at 1.8–5.0 km/s. Velocimetry provided records of the equilibrium state and the compression wave structure for each case with trends quantified by an empirical fit. The same quantities were also studied as a function of the wave's propagation distance. A homogenized viscoelastic model then made it possible to progress from cataloging trends to making predictions. Starting from a Mie–Gruneisen equation of state, additional time varying terms were added to capture the transient response. After calibration, accurate predictions of the steady wave structure were possible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Self-assembly of a triply periodic continuous mesophase with Fddd symmetry in simple one-component liquids

Triply periodic continuous morphologies (networks) arising as a result of the microphase separation in block copolymer melts have so far never been observed self-assembled in systems of particles with spherically symmetric interaction. Here, we report a molecular dynamics simulation where two simple one-component liquids form upon cooling an equilibrium network with the Fddd space group symmetry. This complexity reduction in the liquid network formation in terms of the particle geometry and the number of components evidences the generic nature of this class of phase transition suggesting opportunities for producing these structures in a variety of new systems.

36 MATERIALS SCIENCE↗

An Entropy-Maximization Approach to Automated Training Set Generation for Interatomic Potentials

Machine learning-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computational cost of empirical potentials. Given their generic functional forms, the transferability of these potentials is highly dependent on the quality of the training set, the generation of which can be highly labor-intensive. Good training sets should at once contain a very diverse set of configurations while avoiding redundancies that incur cost without providing benefits. We formalize these requirements in a local entropy-maximization framework and propose an automated sampling scheme to sample from this objective function. We show that this approach generates much more diverse training sets than unbiased sampling and is competitive with hand-crafted training sets.

74 ATOMIC AND MOLECULAR PHYSICS↗

Spin–orbit torques in structures with asymmetric dusting layers

Current-induced spin–orbit torques (SOTs) in heavy metal/ferromagnet heterostructures have emerged as an efficient method for magnetization switching with applications in nonvolatile magnetic memory and logic devices. However, experimental realization of SOT switching of perpendicular magnetization requires an additional inversion symmetry breaking, calling for modifications of the conventional SOT heterostructures. In this work, we study SOTs and deterministic switching of perpendicular magnetization by inserting different asymmetric dusting layers at the heavy metal/ferromagnet interface. Similar to the previous works with lateral structural asymmetry, we study the emergence of current-induced perpendicular effective magnetic fields (H z eff ). By examining three different material combinations of heavy metal/dusting layers (W/IrMn, Pt/IrMn, and W/Ta), we shed light on the origins of H z eff ; we show that H z eff is generically created in all the studied asymmetric structures, has a close correlation with the interfacial magnetic anisotropy, and is independent of the signs of spin Hall angles of the materials. Furthermore, we show that the induction of H z eff enables field-free deterministic SOT switching of perpendicular magnetization. Our results can be used in designing SOT heterostructures for practical applications in nonvolatile technologies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption

We report recent experiments have observed that the chemical and photophysical properties of molecules can be modified inside an optical Fabry– Pérot microcavity under collective vibrational strong coupling (VSC) conditions, and such modification is currently not well understood by theory. In an effort to understand the origin of such cavity-induced phenomena, some recent studies have focused on the effect of the cavity environment on the nonlinear optical response of the molecular subsystem. Here, we use a recently proposed protocol for classical cavity molecular dynamics simulations to numerically investigate the linear and the nonlinear response of liquid carbon dioxide under such VSC conditions following an optical pulse excitation. We find that applying a strong pulse of excitation to the lower hybrid light–matter state, i.e., the lower polariton (LP), can lead to an overall molecular nonlinear absorption that is enhanced by up to two orders of magnitude relative to the excitation outside the cavity. This polariton-enhanced multiphoton absorption also causes an ultrashort LP lifetime (0.2 ps) under strong illumination. Unlike usual polariton relaxation processes—whereby polaritonic energy transfers directly to the manifold of singly excited vibrational dark states—under the present mechanism, the LP transfers energy directly to the manifold of higher vibrationally excited dark states; these highly excited dark states subsequently relax to the manifold of singly excited states with a lifetime of tens of ps. Because the present mechanism is generic in nature, we expect these numerical predictions to be experimentally observed in different molecular systems and in cavities with different volumes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The S π RIT time projection chamber

The SAMURAI Pion Reconstruction and Ion-Tracker Time Projection Chamber (SπRIT TPC) was designed to enable measurements of heavy ion collisions with the SAMURAI spectrometer at the RIKEN Radioactive Isotope Beam Factory and provide constraints on the Equation of State of neutron-rich nuclear matter. The SπRIT TPC has a 50.5 cm drift length and an 86.4 cm × 134.4 cm 2 pad plane with 12,096 pads that are equipped with the Generic Electronics for TPCs. The SπRIT TPC allows excellent reconstruction of particles and provides isotopic resolution for pions and other light charged particles across a wide range of energy losses and momenta. Here, details of the SπRIT TPC are presented, along with discussion of the TPC performance based on cosmic ray and charged particles emitted in heavy ion collisions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Machine learning framework for quantum sampling of highly constrained, continuous optimization problems

In recent years, there is growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design problems into surrogate quadratic unconstrained binary optimization (QUBO) problems by employing a binary variational autoencoder and a factorization machine. The factorization machine is trained as a low-dimensional, binary surrogate model for the continuous design space and sampled using various QUBO samplers. Using the D-Wave Advantage hybrid sampler and simulated annealing, we demonstrate that by repeated resampling and retraining of the factorization machine, our framework finds designs that exhibit figures of merit exceeding those of its training set. We showcase the framework’s performance on two inverse design problems by optimizing (i) thermal emitter topologies for thermophotovoltaic applications and (ii) diffractive meta-gratings for highly efficient beam steering. This technique can be further scaled to leverage future developments in quantum optimization to solve advanced inverse design problems for science and engineering applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A mathematical framework for ejecta cloud dynamics with application to source models and piezoelectric mass measurements

We present a mathematical framework for describing the dynamical evolution of an ejecta cloud generated by a generic ejecta source model. We consider a piezoelectric sensor fielded in the path of an ejecta cloud, for experimental configurations in which the ejecta are created at a singly shocked planar surface and fly ballistically through vacuum to the stationary sensor. To do so, we introduce the concept of a time- and velocity-dependent ejecta “areal mass function.” We derive expressions for the analytic (“true”) accumulated ejecta areal mass at the sensor and the measured (“inferred”) value obtained via the standard method for analyzing piezoelectric voltages. In this way, we derive an exact expression and upper bound for the error imposed upon a piezoelectric ejecta mass measurement (in a perfect system) by the assumption of instantaneous creation, which is commonly required for momentum diagnostic analyses. This error term is zero for truly instantaneous source models; otherwise, the standard piezoelectric analysis is guaranteed to overestimate the true mass. When combined with a piezoelectric dataset, this framework provides a unique solution for the ejecta particle velocity distribution, subject to the assumptions inherent in the data analysis. The framework also leads to strong boundary conditions that any ejecta source model must satisfy in order to be consistent with apparently global properties of piezoelectric measurements from a wide range of experiments. We demonstrate this methodology by applying it to the Richtmyer–Meshkov instability+self-similar velocity distribution ejecta source model currently under development at Los Alamos National Laboratory.

97 MATHEMATICS AND COMPUTING↗

Analytic solutions for Asay foil trajectories with implications for ejecta source models and mass measurements

We consider the trajectory of an Asay foil ejecta diagnostic for scenarios where ejecta are produced at a singly shocked planar surface and fly ballistically through a perfect vacuum to the sensor. We do so by building upon a previously established mathematical framework derived for the analytic study of stationary sensors. First, we derive the momentum conservation equation for the problem, in a form amenable to accelerating sensors, in terms of a generic ejecta source model. The result is an integrodifferential equation of motion for the foil trajectory. This equation yields an easily calculable closed-form implicit solution for the foil trajectory in instant-production scenarios. From there, we derive a boundary condition that particle velocity distributions must satisfy if their associated foil trajectories are to exhibit a smooth initial acceleration, as occurs in some experiments. This condition is identical to one derived previously from a consideration of piezoelectric voltage data obtained in similar experiments. We also compare techniques for inferring accumulated ejecta masses from foil trajectories, first by deriving the exact solution, and then by quantifying the error imposed by a frequently used approximate solution (both subject to the assumption of instantaneous ejecta production). Finally, we examine the common practice of presenting inferred cumulative ejecta masses as a function of implied ejecta velocity, establishing the conditions under which this methodology is most meaningful.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Physics-based compact modeling of electro-thermal memristors: Negative differential resistance, local activity, and non-local dynamical bifurcations

Leon Chua's Local Activity theory quantitatively relates the compact model of an isolated nonlinear circuit element, such as a memristor, to its potential for desired dynamical behaviors when externally coupled to passive elements in a circuit. However, the theory's use has often been limited to potentially unphysical toy models and analyses of small-signal linear circuits containing pseudo-elements (resistors, capacitors, and inductors), which provide little insight into required physical, material, and device properties. Furthermore, the Local Activity concept relies on a local analysis and must be complemented by examining dynamical behavior far away from the steady-states of a circuit. In this work, we review and study a class of generic and extended one-dimensional electro-thermal memristors (i.e., temperature is the sole state variable), re-framing the analysis in terms of physically motivated definitions and visualizations to derive intuitive compact models and simulate their dynamical behavior in terms of experimentally measurable properties, such as electrical and thermal conductance and capacitance and their derivatives with respect to voltage and temperature. Within this unified framework, we connect steady-state phenomena, such as negative differential resistance, and dynamical behaviors, such as instability, oscillations, and bifurcations, through a set of dimensionless nonlinearity parameters. In particular, we reveal that the reactance associated with electro-thermal memristors is the result of a phase shift between oscillating current and voltage induced by the dynamical delay and coupling between the electrical and thermal variables. We thus, demonstrate both the utility and limitations of local analyses to understand non-local dynamical behavior. Critically for future experimentation, the analyses show that external coupling of a memristor to impedances within modern sourcing and measurement instruments can dominate the response of the total circuit, making it impossible to characterize the response of an uncoupled circuit element for which a compact model is desired. However, these effects can be minimized by proper understanding of the Local Activity theory to design and utilize purpose-built instruments.

Brown, Timothy D. (ORCID:0000000347068355)↗

Local analysis of fast magnetic reconnection

Fast magnetic reconnection is defined by the topology of the magnetic field lines changing on a timescale that is approximately an order of magnitude longer than the topology-conserving ideal-evolution timescale. Fast reconnection is an intrinsic property of Faraday's law when the evolving magnetic field depends non-trivially on all three spatial coordinates and is commonly observed—even when the effects that allow topology breaking are arbitrarily small. The associated current density need only be enhanced by a factor of approximately ten and flows in thin but broad ribbons along the magnetic field. These results follow from the variation in the separation of neighboring pairs of magnetic field lines, which in an ideal evolution typically increases exponentially with time, and the existence of a spatial scale below which magnetic field lines freely change their identities due to non-ideal effects, such as resistivity. Traditional reconnection theory ignores exponentially large variations and relies on the current density reaching a magnitude that is exponentially larger than is actually required. Here, an analysis of the behavior of magnetic field lines in the neighborhood of an arbitrarily chosen line is used to obtain more precise and rigorous results on intrinsic reconnection. The maximum parallel kinetic energy of collisionless charged particles is shown to have an exponential increase in time during a generic magnetic evolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Renormalization of excitonic properties by polar phonons

Here we employ quasiparticle path integral molecular dynamics to study how the excitonic properties of model semiconductors are altered by electron–phonon coupling. We describe ways within a path integral representation of the system to evaluate the renormalized mass, binding energy, and radiative recombination rate of excitons in the presence of a fluctuating lattice. To illustrate this approach, we consider Fröhlich-type electron–phonon interactions and employ an imaginary time influence functional to incorporate phonon-induced effects nonperturbatively. The effective mass and binding energies are compared with perturbative and variational approaches, which provide qualitatively consistent trends. We evaluate electron-hole recombination rates as mediated through both trap-assisted and bimolecular processes, developing a consistent statistical mechanical approach valid in the reaction limited regime. These calculations demonstrate how phonons screen electron–hole interactions, generically reducing exciton binding energies and increasing their radiative lifetimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗