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At least 865 records · Page 48

Simulation Based Inference with Domain Adaptation for Strong Gravitational Lensing

Simulation based inference leverages machine learning to carry out Bayesian inference for systems with intractable likelihoods. However, transitioning a network trained on simulated data to real data runs the risk of encountering domain shift, leading to performance losses. We attempt to implement domain adaptation into the sbi neural posterior estimation framework using the Maximum Mean Discrepancy as an additional network loss. We test two network architectures and use masked autoregressive flow for density estimation. We test the network on a set of 400,000 simulated strong gravitational lensing images generated using deeplenstronomy. The source domain is defined as low noise whereas the target domain has a noise profile sampled from experimentally derived DES survey conditions. We find that, while DA does lead to performance improvements, they are marginal at ~6% less inference error. We also find a similar marginal improvement in uncertainty calibration at around 8%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Strong Turbulent Alfvén Wave Interactions in a Laboratory Plasma (Final Scientific/Technical Report)

Turbulence is a fundamental and widespread aspect of plasma behavior, occurring in nearly every natural plasma system that is observed, from clusters of distant galaxies to plasmas within the solar system. Plasma continuously streaming from the sun, known as the solar wind, has been particularly fruitful in understanding plasma turbulence due to the availability of spacecraft data. An ensuring mystery in solar wind turbulence is the unexpected observation of residual energy – there is excess energy in the magnetic fluctuations compared to the velocity fluctuations even though an Alfvén wave in Magnetohydrodynamics has equal amounts of energy in each. The project studied strong non-linear interaction between counter-propagating Alfvén waves in the lab for the first time. Dr. Mel Abler, who was hired as a postdoctoral researcher under this grant, obtained the first observation of residual energy in a counter-propagating Alfvén wave interaction. Dr. Abler showed experimentally that the interaction of two counter-propagating Alfvén waves produces daughter modes that are not not normal modes of the system and only exist in the presence of the nonlinear drive. These Alfvén quasimodes contain either negative residual energy (more energy in magnetic fluctuations) or positive residual energy (more energy in velocity fluctuations).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Insight into Strong QCD and the Emergence of Mass from N* Experiments

Studies of nucleon resonance (N*) electroexcitation amplitudes (?vpN* electrocouplings) within a broad range of virtual photon four-momentum squared Q2 offer unique information on many facets of the strong interaction in the regime of large QCD running coupling (sQCD regime) seen in the generation of different resonances. The results on the ?vpN* electrocouplings from exclusive meson electroproduction data measured with the CLAS detector at JLab and their impact on understanding of sQCD dynamics will be presented in this talk. These CLAS data have provided the first and only available results on the evolution of the ?vpN* electrocouplings with Q2 to 5 GeV2 for most N* states in the mass range up to 1.8 GeV. A successful description of the CLAS results on the Q2-evolution of the ?(1232)3/2+, N(1440)1/2+, and ?(1600)3/2+ electrocouplings has been achieved within the continuum Schwinger method (CSM) by employing the same momentum dependence of the dressed quark mass inferred from the QCD Lagrangian, which also reproduces the experimental results on the pion elastic electromagnetic form factor and parton distribution function, and the nucleon elastic form factor. This success has demonstrated the capability for gaining insight into the emergence of hadron mass (EHM) from the exploration of the Q2-evolution of the ?vpN* electrocouplings. These studies also allow us to establish either universality or environmental sensitivity of the dressed quark mass function and to explore qq-correlation amplitudes of different spin-parities and the mixing between configurations of different orbital angular momentum. Exploration of the resonance electroexcitation with the CLAS12 detector and in the future with a possible 22 GeV machine at JLab offer the only foreseen opportunity to extend information on the ?vpN* electrocouplings for Q2 from 5-30 GeV2. Analyses of these results will cover the full range of distances where the dominant part of hadron mass and N* structure emerge from QCD.

Mokeev, Victor↗

Unravel Electronic Structure in Strongly Correlated Materials [Slides]

Outline: Introduction and motivation - Correlated electron materials; Theoretical approaches to strongly correlated materials - First-principles dynamical mean-field theory (DMFT) framework - Applications to f -electron correlation effects; Summary and outlook.

36 MATERIALS SCIENCE↗

Proposal for a Proton-Bunch Compression Experiment at IOTA in the Strong Space-Charge Regime

The longitudinal compression of intense proton bunches with strong space-charge force is an essential component of a proton-based muon source for a muon collider. This paper discusses a proton-bunch compression experiment at the Integrable Optics Test Accelerator (IOTA) storage ring at Fermilab to explore optimal radio frequency (RF) cavity and lattice configurations. IOTA is a compact fixed-energy storage ring that can circulate a 2.5-MeV proton beam with varying beam parameters and lattice configurations. The study will aim to demonstrate a bunch-compression factor of at least 2 in the IOTA ring while examining the impact of intense space-charge effects on the compression process.

43 PARTICLE ACCELERATORS↗

Searching for Strongly Coupled Dark Sectors with Unsupervised and Generative Learning

Recipient of the URA Early Career Award for groundbreaking searches for dark matter arising from strongly coupled dark sectors with the CMS detector, pioneering work in ML-based model-independent anomaly detection for collider and astrophysics experiments, and leadership in the development of new AI/ML techniques to improve event reconstruction and detector simulation in particle physics, as well as novel strategies to accelerate AI inference and throughput with heterogeneous computing using coprocessors as a service.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Precision Computations in Strongly Coupled Conformal Field Theories (Final Technical Report)

Conformal Field Theories (CFTs) are quantum field theories that are invariant under the conformal symmetry group (which includes translations and rotations, but also local rescalings of spacetime). They are building blocks of general quantum field theories, and appear in many areas of physics, including statistical physics, condensed matter physics, particle physics, and quantum gravity. Because of their extra symmetries, the mathematical structure of CFTs is tightly constrained, and this leads to the idea of the ``conformal bootstrap," which is to use these mathematical structures to constrain, and in some cases determine, CFT observables. A new numerical implementation of the conformal bootstrap idea appeared in 2008 with the work of Rattazzi, Rychkov, Tonni, and Vichi. Their observation was that certain bootstrap constraints (conformal symmetry and unitarity) could be combined to yield a convex optimization problem that constraints CFT data. By solving this convex optimization problem on a computer, one could obtain bounds on observables like critical exponents and operator product expansion (OPE) coefficients. Over the course of this award, the PI has improved numerical bootstrap techniques by optimizing known algorithms and finding new ones for performing the required convex optimization computations. The PI has applied these techniques to compute high-precision observables in several important strongly-coupled systems. The PI has also explored both analytical and numerical bootstrap methods for constraining the space of low energy effective field theories of quantum gravity, and developed new analytical techniques for CFT and QFT more broadly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Using interfaces to: create strongly-coupled magnetic-ferroelectrics

Starting at the level of electrons and atoms our long-term goal is to rationally design complex oxide heterostructures and interface-materials with targeted emergent behaviors. This is not a matter of simply optimizing material parameters, but rather begins with understanding a mechanism to control the interplay between the diverse microscopic degrees of freedom prevalent in complex oxides in order to create targeted macroscopic phenomena and ends with the design of new material realizations. These realizations are in turn created with atomic-layer precision, structurally assessed to see that they are the intended realization, and finally their relevant properties are measured. During this program we have developed the scientific ideas necessary to apply this materials-by-design paradigm to the creation of materials offering electrical control of magnetism. At the heart of our approach lies a partnership between theory, synthesis, and characterization. These are the areas of expertise of the three co-PIs, who have worked closely together since their arrival at Cornell. During this project bold ideas on where to put the atoms to provide electrical control of magnetism were met with the latest methods of synthesis science and electron microscopy in an attempt create targeted new multiferroics. Our work applying this materials-by-design methodology to multiferroics has enjoyed multiple successes. The Co-PIs have invented new mechanisms for multiferroics, which provide strong coupling between polarization and magnetism, and reduced them to practice. Specifically, we pioneered multiferroics based on spin-phonon coupling, rotation-driven multiferroicity, and novel geometric multiferroics. Importantly, the latter two of these mechanisms enable the deterministic switching of magnetism by an applied electric field, which is key to the application of multiferroics to future device technologies. Most recently, we performed detailed theoretical analysis on a system involving the combination of magnetoelectric and colossal magnetoresistance behaviors and predict that electrical control of a metal-insulator transition is possible in appropriately strained SmBaMn2O6. The research enabled by this grant led to 63 publications in leading refereed journals including Nature, Nature Materials, Physical Review Letters, and Advanced Materials demonstrating a materials-by-design paradigm to the creation of materials offering electrical control of magnetism.

36 MATERIALS SCIENCE↗

Strong Scalability Analysis of the Albany Land Ice code on HPC Architectures

Scalability is a critical factor in High-Performance Computing (HPC), where optimizing resource usage has a direct impact on cost-effectiveness and time-efficiency. This report presents a strong scaling performance study of the Albany Land Ice (ALI) code across different HPC architectures, towards determining the best configuration to use when running large-scale simulation ensembles.

97 MATHEMATICS AND COMPUTING↗

Simulation of Physics-Based 0-10Hz Strong Motion Using High Performance Computing Supporting Refinements to Regional Ground Motion Models for the Central Eastern US

In collaboration with the U.S. Nuclear Regulatory Commission (NRC) the LLNL has developed a computationally efficient simulation platform designed to perform physics-based ground motion simulations for crustal earthquakes in the Stable Continental Regions of Central and Eastern US (CEUS), using high-performance computing. The main objective of the earthquake simulations was to use synthetic ground motion to provide constrains to refinements of existing ergodic Ground Motion Models (GMMs), for large magnitude earthquakes and near-fault distances, for which these models are less reliable. Physics-based broadband (0-10Hz) ground motion simulations were used to estimate the near-fault ground motion amplitudes and within event and between-event variabilities associated with fault rupture characteristics. In our simulations we used a 3D regional velocity model that was based on Saikia’s 1D velocity model (1994). In simulations performed during the first stage of this project the Saikia’s velocity model demonstrated better performance in modelling high frequency regional wave propagation for the CEUS region recorded during the Mw5.0 November 7, 2016, Cushing Oklahoma (Taylor et al., 2017), and Mw5.8 September 3, 2016, Pawnee Oklahoma earthquakes. The proposed regional 3D model includes random perturbations to the 1D background model using the stochastic scheme of Pitarka and Mellors (2021). In addition, validation analysis of the rupture generator and regional wave propagation models, using comparisons with different GMMs for Mw6.5 and Mw7.0 scenario earthquakes in the CEUS region resulted in a very good match between the simulated and empirical ground motion models. For the purposes of seismic hazard assessment at the existing and planned nuclear power plants, NRC is interested in studies aimed at improving the current ground motion models (GMM) for both Stable Continental Regions (SCR) in the Central and Eastern US and Active Crustal Regions (ACR) in the Western US. Due to lack of recorded data, these improvements require synthetic data for short fault distances and large magnitude earthquakes for which the existing recorded data is not enough to uniquely constrain the GMMs. The need for simulations and strong motion data is especially critical for the CEUS region where we do not have recorded data from potentially large damaging earthquakes with moment magnitudes 6.0 and higher. In this the project, we focused on 10Hz simulations of Mw7.0 scenario earthquakes with strike slip and thrust faulting mechanisms. We used more than 50 Mw7.0 earthquake rupture scenarios to investigate the ground motion uncertainty due to unknown earthquake rupture parameters, in particular, the slip distribution, rupture velocity, and faulting mechanism, and their implication on ground motion amplification due to forward rupture directivity effects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Strong Correlation DMRG and DFT

This project developed new ways to improve computer simulations of materials where electrons interact strongly with each other, a challenge for today’s most widely used method, density functional theory (DFT). We used an exact numerical method, the density matrix renormalization group (DMRG), to create highly accurate reference results for simple model systems, and used these to test DFT, prove when it will converge, and even train machine-learned functionals. We also invented new kinds of localized basis functions (“gausslets” and “multi-sliced gausslets”) and a “sliced-basis” approach that make high-accuracy simulations faster and more practical. These methods were applied to extended hydrogen systems, enabling the direct derivation of accurate low-energy models from first-principles calculations. We also introduced a new formalism, Conditional-Probability DFT, which could bypass traditional approximations. The tools and results from this work, including open-source software releases, will help scientists design and understand complex quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simulations of Radiation Hydrodynamics in Strongly Coupled Plasmas (Final Report)

Radiation propagates throughout the Universe and is often the only information we have from distant astronomical objects. Additionally, radiation plays a key role in systems ranging from the interior of stars to the establishment of shocks at the edges of forming galaxies to neutron star mergers. Here radiative processes, absorption, emission, and scattering, are fundamental to transport of momentum and energy, as well as, the overall evolution of these and other astrophysical systems. In some cases, radiation-dominant systems are also sufficiently dense and ionized, such that, the ions are strongly coupled (ie electrostatic energy >> thermal energy or Γ >> 1), which will affect radiative processes and the transport of radiation. During this project, we developed a computational ray-tracing algorithm to study radiation transport through a simulated neutron star capsule implosion under conditions relevant to Omega-60 laser experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

Holographic Quantum Simulation of Strongly Correlated Electron Systems

The project aimed to demonstrate a new holographic quantum simulation approach and co‐ designed quantum hardware to tackle three specific problems that fall within the broad umbrella of unraveling the physics of strongly correlated electron systems (SCES). These tasks were: (1) holographic preparation of ground‐ and thermal‐ states of correlated magnetic and electronic systems including quasi‐2d frustrated‐spin, Fermi‐Hubbard, and fractional quantum Hall (FQH) systems, (2) holographic‐simulation of long‐time out‐of‐equilibrium dynamics and (3) holographic analogs of embedding methods such as dynamical mean‐ field theory (DMFT) and density‐matrix embedding theory (DMET) to solve systems with complex structure or long‐range interactions. These tasks are prototypes for the kinds of material simulation problems of interest to BES, such as the simulation of multiferroic materials, perovskite photovoltaics and high‐temperature superconductors, that tax the capabilities of the most powerful classical supercomputers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum Computing Algorithms and Applications for Coherent and Strongly Correlated Chemical Systems

This project advanced quantum algorithms, quantum information theory, strongly correlated electronic structure methods, molecular quantum materials, and exciton transport imaging in coherent condensed phase systems. Across the award period, the team developed new methods for open-quantum-system simulation, Hamiltonian learning, state tomography, reduced-density-matrix and contracted-quantum eigensolver approaches, and quantum diagnostics for device capability and openness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing Attosecond Bound Electron Dynamics Driven by Strong-Field Light Transients

The project aimed to drive strong-field excitation of bound electronic coherences in gas-phase atoms and molecules using a novel source of near-single-cycle optical field transients, based on industrial-grade Yb:solid-state laser technology. Key objectives included generating near-single cycle field transients and isolated attosecond pulses, reconstructing time-dependent wave packets in atoms and molecules, probing their decoherence using attosecond interferometry, and controlling the dynamic evolution of systems on attosecond to few-femtosecond timescales. A secondary goal of the project was to develop field-resolved measurement platforms as a novel approach for studying electron dynamics in atomic and molecular systems.

74 ATOMIC AND MOLECULAR PHYSICS↗