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Results for “model inversion”
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Inverse design of a pyrochlore lattice of DNA origami through model-driven experiments
Sophisticated statistical mechanics approaches and human intuition have demonstrated the possibility of self-assembling complex lattices or finite-size constructs. However, attempts so far have mostly only been successful in silico and often fail in experiment because of unpredicted traps associated with kinetic slowing down (gelation, glass transition) and competing ordered structures. Theoretical predictions also face the difficulty of encoding the desired interparticle interaction potential with the experimentally available nano- and micrometer-sized particles. To overcome these issues, we combine SAT assembly (a patchy-particle interaction design algorithm based on constrained optimization) with coarse-grained simulations of DNA nanotechnology to experimentally realize trap-free self-assembly pathways. In this paper, we use this approach to assemble a pyrochlore three-dimensional lattice, coveted for its promise in the construction of optical metamaterials, and characterize it with small-angle x-ray scattering and scanning electron microscopy visualization.
Astrophysical gamma-ray production by inverse Compton interactions of relativistic electrons. II - Constraints on Compton emission models for NGC 4151, NP 0532, and PSR 0833-45 from gamma-ray data
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Stellar occultations by turbulent planetary atmospheres. I - A heuristic scattering model. II - The Beta Scorpii events
Effects of atmospheric turbulence on stellar-occultation inversion procedures are investigated using a heuristic scattering model that is believed to reproduce the essential features of turbulence. A quantitative estimate is made of the size of the error in deducing the mean refractivity profile of a planetary atmosphere, taking into account constant as well as exponential scattering. It is shown that ordinary turbulence has no important effect on the average intensity profile in a stellar occultation but could have an important instantaneous effect. A critical examination of possible manifestations of turbulent scattering during occultations of Beta Sco by Jupiter indicates that all observed phenomena during these events can be understood in terms of scintillations produced by turbulence.
Variational encoder geostatistical analysis (VEGAS) with an application to large scale riverine bathymetry
Estimation of riverbed profiles, also known as bathymetry, plays a vital role in many applications, such as safe and efficient inland navigation, prediction of bank erosion, land subsidence, and flood risk management. The high cost and complex logistics of direct bathymetry surveys, i.e, depth imaging, have encouraged the use of indirect measurements such as surface flow velocities. However, estimating high-resolution bathymetry from indirect measurements is an inverse problem that can be computationally challenging. Here, we propose a reduced-order model (ROM) based approach that utilizes a variational autoencoder (VAE), a type of deep neural network with a narrow layer in the middle, to compress bathymetry and flow velocity information and accelerate bathymetry inverse problems from flow velocity measurements. In our application, the shallow-water equations (SWE) with appropriate boundary conditions (BCs), e.g., the discharge and/or the free surface elevation, constitute the forward problem, to predict flow velocity. Then, ROMs of the SWEs are constructed on a nonlinear manifold of low dimensionality through a variational encoder and the bathymetry inversion problem is derived on the low-dimensional latent space in a Hierarchical Bayesian setting. Further, the reformulation allows variational inference with a small number (e.g., $\mathscr{O}$ (100) of ROM runs and efficient uncertainty quantification. We have tested our inversion approach on a one-mile reach of the Savannah River, GA, USA. Once the neural network is trained (offline stage), the proposed technique can perform the inversion operation orders of magnitude faster than traditional inversion methods that are commonly based on linear projections, such as principal component analysis (PCA), or the principal component geostatistical approach (PCGA). Furthermore, tests show that the algorithm can estimate the bathymetry with good accuracy even with sparse flow velocity measurements.
Inverse Lieb materials: altermagnetism and more
The Lieb lattice, originally proposed for cuprate superconductors, has gained new attention in the emerging field of altermagnetism as a minimal analytical model for the latter. While the inverse Lieb lattice (ILL) was once considered purely theoretical, several materials with this motif have recently been discovered. Its unique geometry supports complex magnetic orders driven by geometric frustration, offering high tunability. In this work, we provide comprehensive insights into ILL magnetic phases and establish guidelines for identifying altermagnets. Using a Heisenberg model, we first construct phase diagrams to elucidate the mechanisms underlying experimental magnetic phases. We then bridge theory and experiment via density functional theory (DFT) calculations on existing ILL compounds, finding results consistent with experimental data. Notably, we identified a trend linking d-shell filling to magnetic order, where d x (x≤5) configurations show a propensity for altermagnetism. We also highlight Sr 2 CrO 2 Cr 2 OAs 2 as a promising metallic altermagnet with highly anisotropic J 2 exchange and a high Néel temperature (~600 K). Finally, our magnon spectra calculations confirm that chiral splittings correlate directly with anisotropies between inequivalent J 2 interactions.
Connecting Hindered Transport in Porous Media across Length Scales: From Single-Pore to Macroscopic
Hindered mass transport is widely observed in various porous media, including filtration membranes and porous rocks. However, there is no universal model capable of predicting transport in porous media due to the heterogeneity of porous structures and the complexity of the underlying microscopic mechanisms, including electrostatic and hydrodynamic effects. Here, we used a highly ordered porous medium (i.e. a silica inverse opal film) as a model system to directly explore the effects of geometric parameters (i.e. pore size, pore throat size and tracer particle size) and microscopic interaction parameters (e.g. controlled by ionic strength) on nanoparticle transport in porous environments using three-dimensional single-particle tracking. We found a linear scaling relation between the macroscopic diffusion coefficient and microscopic diffusion behaviors and a combination of parameters associated with microscopic features and phenomena, including both geometric effects and particle-level interactions. The proportionality coefficient relating micro and macro behaviors was complex and related to the connectivity of the matrix and pore-size variation, which could lead to tortuous diffusion pathways, hindering macroscopic transport. Furthermore, these findings provide important insights into nanoparticles and macromolecules transport in various porous media.
Probing the Fine Symmetry Breaking in High-Temperature Superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with Angle-Resolved Nonreciprocal Transport
After decades of research, symmetry breaking in high-temperature cuprate superconductors remains a key issue to resolve and is relevant to understanding their exotic quantum phases. In the prototypical cuprate superconductor, Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212), the possible symmetry breaking has been mostly examined microscopically with scanning tunneling microscopy and photoemission spectroscopy. However, macroscopic evidence and the direct implications for electronic transport have remained elusive. Using superconductivity-enhanced nonreciprocal transport, we report macroscopic evidence of inversion symmetry breaking in Bi2212. While the inversion symmetry breaking is subtle, its effect on nonreciprocal transport is significantly enhanced by the vortex motion during the superconducting transition, leading to a robust manifestation of inversion symmetry breaking in macroscopic transport. Combining angle-resolved nonreciprocal transport and 3D tight-binding model calculations, we derive that the inversion symmetry breaking is due to subtle crystal distortions that give rise to both in-plane and out-of-plane polar axes. Our work not only establishes nonreciprocal transport as a sensitive macroscopic probe to provide electrical transport-based evidence of fine symmetry breaking in Bi2212, but also paves the way for novel device applications such as high-temperature superconducting diodes and superconducting spintronics.
Simulating Heisenberg interactions in the Ising model with strong drive fields
The time evolution of an Ising model with large driving fields over discrete time intervals is shown to be reproduced by an effective XXZ-Heisenberg model at leading order in the inverse field strength. For specific orientations of the drive field, the dynamics of the XXX-Heisenberg model is reproduced. Finally, these approximate equivalences, valid above a critical driving field strength set by dynamical phase transitions in the Ising model, are expected to enable quantum devices that natively evolve qubits according to the Ising model to simulate more complex systems.
Effective Tree Scattering at L-Band
For routine microwave Soil Moisture (SM) retrieval through vegetation, the tau-omega [1] model [zero-order Radiative Transfer (RT) solution] is attractive due to its simplicity and eases of inversion and implementation. It is the model used in baseline retrieval algorithms for several planned microwave space missions, such as ESA's Soil Moisture Ocean Salinity (SMOS) mission (launched November 2009) and NASA's Soil Moisture Active Passive (SMAP) mission (to be launched 2014/2015) [2 and 3]. These approaches are adapted for vegetated landscapes with effective vegetation parameters tau and omega by fitting experimental data or simulation outputs of a multiple scattering model [4-7]. The model has been validated over grasslands, agricultural crops, and generally light to moderate vegetation. As the density of vegetation increases, sensitivity to the underlying SM begins to degrade significantly and errors in the retrieved SM increase accordingly. The zero-order model also loses its validity when dense vegetation (i.e. forest, mature corn, etc.) includes scatterers, such as branches and trunks (or stalks in the case of corn), which are large with respect to the wavelength. The tau-omega model (when applied over moderately to densely vegetated landscapes) will need modification (in terms of form or effective parameterization) to enable accurate characterization of vegetation parameters with respect to specific tree types, anisotropic canopy structure, presence of leaves and/or understory. More scattering terms (at least up to first-order at L-band) should be included in the RT solutions for forest canopies [8]. Although not really suitable to forests, a zero-order tau-omega model might be applied to such vegetation canopies with large scatterers, but that equivalent or effective parameters would have to be used [4]. This requires that the effective values (vegetation opacity and single scattering albedo) need to be evaluated (compared) with theoretical definitions of these parameters. In a recent study [9], effective vegetation opacity of coniferous trees was compared with two independent estimates of the same parameter. First, a zero-order RT model was fitted to multiangular microwave emissivity data in a least-square sense to provide effective vegetation optical depth as done in spaceborne retrieval algorithms. Second, a ratio between radar backscatter measurements with a corner reflector under trees and in an open area was calculated to obtain measured tree propagation characteristics. Finally, the theoretical propagation constant was determined by forward scattering theorem using detailed measurements of size/angle distributions and dielectric constants of the tree constituents (trunk, branches, and needles). Results indicated that the effective attenuation values are smaller than but of similar magnitude to both the theoretical and measured values. This study will complement the previous work [9] and will focus on characterization of effective scattering albedo by assuming that effective vegetation opacity is same as theoretical opacity. The resultant effective albedo will not be the albedo of single forest canopy element anymore, but it becomes a global parameter, which depends on all the processes taking place within the canopy including multiple scattering as described.
A Parametric Study of Erupting Flux Rope Rotation: Modeling the 'Cartwheel CME' on 9 April 2008
The rotation of erupting filaments in the solar corona is addressed through a parametric simulation study of unstable, rotating flux ropes in bipolar force-free initial equilibrium. The Lorentz force due to the external shear-field component and the relaxation of tension in the twisted field are the major contributors to the rotation in this model, while reconnection with the ambient field is of minor importance, due to the field's simple structure. In the low-beta corona, the rotation is not guided by the changing orientation of the vertical field component's polarity inversion line with height. The model yields strong initial rotations which saturate in the corona and differ qualitatively from the profile of rotation vs. height obtained in a recent simulation of an eruption without preexisting flux rope. Both major mechanisms writhe the flux rope axis, converting part of the initial twist helicity, and produce rotation profiles which, to a large part, are very similar within a range of shear-twist combinations. A difference lies in the tendency of twist-driven rotation to saturate at lower heights than shear-driven rotation. For parameters characteristic of the source regions of erupting filaments and coronal mass ejections, the shear field is found to be the dominant origin of rotations in the corona and to be required if the rotation reaches angles of order 90 degrees and higher; it dominates even if the twist exceeds the threshold of the helical kink instability. The contributions by shear and twist to the total rotation can be disentangled in the analysis of observations if the rotation and rise profiles are simultaneously compared with model calculations. The resulting twist estimate allows one to judge whether the helical kink instability occurred. This is demonstrated for the erupting prominence in the "Cartwheel CME" on 9 April 2008, which has shown a rotation of approximately 115 deg. up to a height of 1.5 Solar R above the photosphere. Out of a range of initial equilibria which include strongly kink-unstable (Phi = 5 pi), weakly kink-unstable (Phi = 3.5 pi), and kink-stable (Phi = 2.5 pi) configurations, only the evolution of the weakly kink-unstable flux rope matches the observations in their entirety.
Observation and Simulation of Methane Plumes During the Morning Boundary Layer Transition
Abstract Methane (CH 4 ) contributes significantly to global warming. However, accurate identification of CH 4 sources for reducing CH 4 emissions is often hampered by inadequate accuracy and spatiotemporal coverage of CH 4 detection, and lack of accurate CH 4 forward modeling used in top‐down inversion systems. In this study, a field experiment was conducted in Pampa, Texas using two CH 4 sensors (LI‐COR and OGI camera) to detect CH 4 releases. We investigated whether high‐resolution simulations using the Weather Research and Forecasting (WRF) model with greenhouse gases (WRF‐GHG) could accurately simulate the CH 4 plumes in the presence of evolving atmospheric boundary layer from sunrise to noon. CH 4 plumes showed substantial variation in time. At a release rate of ∼17.5 kg hr −1 , the maximum enhancement of CH 4 measured by LI‐COR was 2.6 ppm at sunrise (7:36 a.m.), 250 m from the release location. Within half an hour after sunrise, this enhancement decreased to 0.3–0.4 ppm. The enhancement was 0.2 ppm by 10:00 a.m. and further dropped to less than 0.1 ppm after 11:30 a.m. Due to the low temperature at sunrise, the OGI camera failed to detect the CH 4 plume. The WRF‐GHG large‐eddy simulation (LES) with 32 m grid spacing successfully reproduced these CH 4 enhancements. In situ measurements together with numerical simulations illustrate the impact of the transition from a stable boundary layer in the early morning to a convective boundary layer at noon on the dispersion of CH 4 plumes. Additionally, CH 4 plumes from a cattle farm in Oklahoma are briefly examined using the same modeling approach.
Deep Learning for Full Waveform Inversion of Elastic Active-Source Seismic Data to Estimate P-Wave Velocity Models
Seismic imaging methods are critical for Global Security and Energy & Homeland Security missions and activities that rely on subsurface characterization, but traditional methods remain computationally expensive and require significant labor hours and expertise to execute. Within the past few years, machine learning (ML), namely deep learning (DL), has been used to develop data-driven end-to-end full waveform inversion (FWI) methods to estimate 2D P-wave velocity (Vp) models in a fraction of the time as conventional FWI. These methods, however, are trained on simplistic acoustic wave seismic data and Vp models that are not realistic nor representative of real-world observations, leaving a large gap between the state-of-the-art and deployable, feasible, and practical DL FWI methods. Here, we generate a synthetic active-source, 3D, elastic wave seismic data set and a variety of Vp models with realistic geologic structure for training DL FWI methods. We evaluate six different methods that have performed well for acoustic DL FWI or medical imaging tasks using our more realistic dataset. We find that these six trained models do not match the performance of published acoustic end-to-end DL FWI methods, indicating more training data may be needed, physics may need to be incorporated to achieve good accuracy at the sacrifice of the end-to-end advantage, and/or novel methods need to be developed to enable end-to-end DL FWI methods to perform well for real-world seismic data.
Mirages and the nature of Pluto's atmosphere
We present model occultation lightcurves demonstrating that a strong thermal inversion layer at the base of Pluto's stratosphere can reproduce the minimum flux measured by the Kuiper Airborne Observatory (KAO) during the 1988 occultation of a star by Pluto. The inversion layer also forms the occultation equivalent of a mirage at a radius of 1198 km, which is capable of hiding tropospheres of significant depth. Pluto's surface lies below 1198 km, its radius depending on the depth of the troposphere. We begin by computing plausible temperature structures for Pluto's lower atmosphere, constrained by a calculation of the temperature of the atmosphere near the surface. We then trace rays from the occulted star through the model atmosphere, computing the resultant bending of the ray. Model light curves are obtained by summing the contribution of individual rays within the shadow of Pluto on Earth. We find that we can reproduce the KAO lightcurve using model atmospheres with a temperature inversion and no haze. We have explored models with tropospheres as deep as 40 km (implying a Pluto radius of 1158 km) that reproduce the suite of occultation data. Deeper tropospheres can be fitted to the data, but the mutual event radius of 1150 km probably provides a lower bound. If Pluto has a shallow or nonexistent troposphere, its density is consistent with formation in the solar nebula with modest water loss due to impact ejection. If the troposhere is relatively deep, implying a smaller radius and larger density, significant amounts of water loss are required.
Boundary Layer Aerosol Composition over Sierra Nevada Mountains using 9.11- and 10.59-micron CW Lidars and Modeled Backscatter from Size Distribution Data
An inversion technique has been developed to determine volume fractions of an atmospheric aerosol composed primarily of ammonium sulfate and ammonium nitrate and water combined with fixed concentration of elemental and organic carbon. It is based on measured aerosol backscatter obtained with 9.11 - and 10.59-micron wavelength continuous wave CO2 lidars and modeled backscatter from aerosol size distribution data. The technique is demonstrated during a flight of the NASA DC-8 aircraft over the Sierra Nevada Mountain Range, California on 19 September, 1995. Volume fraction of each component and effective complex refractive index of the composite particle were determined assuming an internally mixed composite aerosol model. The volume fractions were also used to re-compute aerosol backscatter, providing good agreement with the lidar-measured data. The robustness of the technique for determining volume fractions was extended with a comparison of calculated 2.1,-micron backscatter from size distribution data with the measured lidar data converted to 2.1,-micron backscatter using an earlier derived algorithm, verifying the algorithm as well as the backscatter calculations.
Estimates of surface roughness derived from synthetic aperture radar (SAR) data
Radar remote sensing data provide a unique perspective of the earth's crust and the processes that have influenced its evolution. Physically based models are required, however, to relate the geophysical quantities being measured by the radar sensor to useful geologic information. In this study, synthetic aperture radar (SAR) data over the Cima volcanic field in the Mojave Desert of California are quantitatively connected with microtopography through inversion of a radar backscatter model. Changes in surface roughness inferred from the derived microtopography are modeled and found to be consistent with aeolian mantling as surfaces age. Estimated rates of aeolian deposition for the Cima area are compared to the Lunar Crater volcanic field in Nevada. Rates of deposition appear to be higher at Cima volcanic field, most likely because of its proximity to Soda Lake, the main source of the aeolian material.
In-depth analysis of solar models with high-metallicity abundances and updated opacity tables
Context. As a result of the high-quality constraints available for the Sun, we are able to carry out detailed combined analyses using neutrino, spectroscopic, and helioseismic observations. These studies lay the ground for future improvements of the key physical components of solar and stellar models because ingredients such as the equation of state, the radiative opacities, or the prescriptions for macroscopic transport processes of chemicals are then used to study other stars in the Universe. Aims. We study the existing degeneracies in solar models using the recent high-metallicity spectroscopic abundances by comparing them to helioseismic and neutrino data and discuss the effect on their properties of changes in the micro and macro physical ingredients. Methods. We carried out a detailed study of solar models computed with a high-metallicity composition from the literature based on averaged 3D models that were claimed to resolve the solar modelling problem. We compared these models to helioseismic and neutrino constraints. Results. The properties of the solar models are significantly affected by the use of the recent OPLIB opacity tables and the inclusion of macroscopic transport. The properties of the standard solar models computed using the OPAL opacities are similar to those for which the OP opacities were used. We show that a modification of the temperature gradient just below the base of the convective zone is required to remove the discrepancies in solar models, particularly in the presence of macroscopic mixing. This can be simulated by a localised increase in the opacity of a few percent. Conclusions. We conclude that the existing degeneracies and issues in solar modelling are not removed by using an increase in the solar metallicity, in contradiction to what has been suggested in the recent literature. Therefore, standard solar models cannot be used as an argument for a high-metallicity composition. While further work is required to improve solar models, we note that direct helioseismic inversions indicate a low metallicity in the convective envelope, in agreement with spectroscopic analyses based on full 3D models.
Robust Optimal Experimental Design of Infinite-Dimensional Bayesian Nonlinear Inverse Problems
Abstract. We consider robust optimal experimental design (ROED) for nonlinear Bayesian inverse problems governed by partial differential equations (PDEs). An optimal design is one that maximizes some utility quantifying the quality of the solution of an inverse problem. However, the optimal design is dependent on elements of the inverse problem such as the simulation model, the prior, or the measurement error model. ROED aims to produce an optimal design that is aware of the additional uncertainties encoded in the inverse problem and remains optimal even after variations in them. We follow a worst-case scenario approach to develop a new framework for robust optimal design of nonlinear Bayesian inverse problems. The proposed framework (a) is scalable and designed for infinite-dimensional Bayesian nonlinear inverse problems constrained by PDEs; (b) develops efficient approximations of the utility, namely the expected information gain; (c) employs eigenvalue sensitivity techniques to develop analytical forms and efficient evaluation methods of the gradient of the utility with respect to the uncertainties against which we wish to be robust; and (d) employs a probabilistic optimization paradigm that properly defines and efficiently solves the resulting combinatorial max-min optimization problem. The effectiveness of the proposed approach is illustrated for optimal sensor placement problem in an inverse problem governed by an elliptic PDE.