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At least 109 records · Page 6

Neural network uncertainty assessment using Bayesian statistics: a remote sensing application

Neural network (NN) techniques have proved successful for many regression problems, in particular for remote sensing; however, uncertainty estimates are rarely provided. In this article, a Bayesian technique to evaluate uncertainties of the NN parameters (i.e., synaptic weights) is first presented. In contrast to more traditional approaches based on point estimation of the NN weights, we assess uncertainties on such estimates to monitor the robustness of the NN model. These theoretical developments are illustrated by applying them to the problem of retrieving surface skin temperature, microwave surface emissivities, and integrated water vapor content from a combined analysis of satellite microwave and infrared observations over land. The weight uncertainty estimates are then used to compute analytically the uncertainties in the network outputs (i.e., error bars and correlation structure of these errors). Such quantities are very important for evaluating any application of an NN model. The uncertainties on the NN Jacobians are then considered in the third part of this article. Used for regression fitting, NN models can be used effectively to represent highly nonlinear, multivariate functions. In this situation, most emphasis is put on estimating the output errors, but almost no attention has been given to errors associated with the internal structure of the regression model. The complex structure of dependency inside the NN is the essence of the model, and assessing its quality, coherency, and physical character makes all the difference between a blackbox model with small output errors and a reliable, robust, and physically coherent model. Such dependency structures are described to the first order by the NN Jacobians: they indicate the sensitivity of one output with respect to the inputs of the model for given input data. We use a Monte Carlo integration procedure to estimate the robustness of the NN Jacobians. A regularization strategy based on principal component analysis is proposed to suppress the multicollinearities in order to make these Jacobians robust and physically meaningful.

Neural Networks (Computer)↗

Stress Recovery and Error Estimation for Shell Structures

The Penalized Discrete Least-Squares (PDLS) stress recovery (smoothing) technique developed for two dimensional linear elliptic problems is adapted here to three-dimensional shell structures. The surfaces are restricted to those which have a 2-D parametric representation, or which can be built-up of such surfaces. The proposed strategy involves mapping the finite element results to the 2-D parametric space which describes the geometry, and smoothing is carried out in the parametric space using the PDLS-based Smoothing Element Analysis (SEA). Numerical results for two well-known shell problems are presented to illustrate the performance of SEA/PDLS for these problems. The recovered stresses are used in the Zienkiewicz-Zhu a posteriori error estimator. The estimated errors are used to demonstrate the performance of SEA-recovered stresses in automated adaptive mesh refinement of shell structures. The numerical results are encouraging. Further testing involving more complex, practical structures is necessary.

Yazdani, A. A.↗

The effects of weighting function errors on spatial filters for structural control

Distributed-effect sensors, which respond to spatially distributed inputs over a significant gauge length, encompass piezoelectric laminate films, modal-domain optical fiber sensors, and holographic sensors; they can be fabricated with spatially varying sensitivity to a distributed measurand for spatial filtering. Such spatial filters are configurable to extract various structural parameters from distributed measurements that cannot be directly measured by sensors. A modeling is presently conducted for distributed-effect sensors' integration into state-space structural models, noting the effects of fabrication errors on sensor operation.

Lindner, Douglas K.↗

NASA GPM GV Science Requirements

An important scientific objective of the NASA portion of the GPM Mission is to generate quantitatively-based error characterization information along with the rainrate retrievals emanating from the GPM constellation of satellites. These data must serve four main purposes: (1) they must be of sufficient quality, uniformity, and timeliness to govern the observation weighting schemes used in the data assimilation modules of numerical weather prediction models; (2) they must extend over that portion of the globe accessible by the GPM core satellite to which the NASA GV program is focused - (approx.65 degree inclination); (3) they must have sufficient specificity to enable detection of physically-formulated microphysical and meteorological weaknesses in the standard physical level 2 rainrate algorithms to be used in the GPM Precipitation Processing System (PPS), i.e., algorithms which will have evolved from the TRMM standard physical level 2 algorithms; and (4) they must support the use of physical error modeling as a primary validation tool and as the eventual replacement of the conventional GV approach of statistically intercomparing surface rainrates fiom ground and satellite measurements. This approach to ground validation research represents a paradigm shift vis-&-vis the program developed for the TRMM mission, which conducted ground validation largely as a statistical intercomparison process between raingauge-derived or radar-derived rainrates and the TRMM satellite rainrate retrievals -- long after the original satellite retrievals were archived. This approach has been able to quantify averaged rainrate differences between the satellite algorithms and the ground instruments, but has not been able to explain causes of algorithm failures or produce error information directly compatible with the cost functions of data assimilation schemes. These schemes require periodic and near-realtime bias uncertainty (i.e., global space-time distributed conditional accuracy of the retrieved rainrates) and local error covariance structure (i.e., global space-time distributed error correlation information for the local 4-dimensional space-time domain -- or in simpler terms, the matrix form of precision error). This can only be accomplished by establishing a network of high quality-heavily instrumented supersites selectively distributed at a few oceanic, continental, and coastal sites. Economics and pragmatics dictate that the network must be made up of a relatively small number of sites (6-8) created through international cooperation. This presentation will address some of the details of the methodology behind the error characterization approach, some proposed solutions for expanding site-developed error properties to regional scales, a data processing and communications concept that would enable rapid implementation of algorithm improvement by the algorithm developers, and the likely available options for developing the supersite network.

Smith, E.↗

Optimal location of actuators for correcting distortions due to manufacturing errors in large truss structures

A continuum approximation to the calculation of the statistical properties of the corrected shape of a beam truss is presented, and results of a comparison with the exact statistical analysis were found to be very good. In addition, the position of the actuators was optimized to minimize the weighted rms of the distortion using the continuum analysis. The optimal design is shown to be 13.6 percent better than a uniform design for a parabolic weighting function. It was also found that actuators located on the beam face elements were more effective than actuators located on the diagonal elements.

Burdisso, R.↗

Quantifying Interannual Variability of the UTLS Ozone Using Assimilation of Satellite Data

An accurate representation of spatial and temporal variability of the Upper Troposphere Lower Stratosphere (UTLS) ozone is essential for understanding both the tropospheric ozone budget and ozone s contribution to radiative forcing. The complex, dynamically driven structure of trace gas fields in the UTLS presents a challenge to data-based and modelling studies. Small features are not fully resolved in data from limb-sounding instruments such as the Microwave Limb Sounder on EOS-Aura (the EOS-MLS), but are captured in assimilation of those data as vertical structure is added from the assimilated meteorology. This will be demonstrated using a multi-year assimilation of EOS-MLS observations in the Goddard Earth Observing System, Version 5 (GEOS-5) data assimilation system. The results demonstrate the realism of the seasonal and year to year variability of laminar structures in the mid-latitudinal ozone field between years 2005-2007, for which independent validation data are available from the HIRDLS instrument. The analysis is done in the context of the underlying large scale dynamics. The lifetimes of most research instruments are too short for them to be used throughout the duration of long-term (at least 3 decades) reanalyses. For example, the EOS-MLS instrument has operated since mid-2004 until present. By contrast, Solar Backscatter Ultra Violet (SBUV) measurements provide continuous data since late 1978, but their vertical resolution is insufficient to represent the profile shape in the UTLS. Assimilation of these SBUV/2 observations in the GEOS-5 data assimilation system has hitherto not captured a realistic ozone structure in the UTLS, even though transport studies using GEOS-5 wind fields do show such structures. We show that careful construction of the background error covariance structure in GEOS-5 can lead to more realistic UTLS ozone fields when assimilating SBUV/2 observations. The reasoning behind this will be discussed, emphasizing the need to retain the sharp gradient of ozone concentrations across the tropopause. We analyze the UTLS ozone distributions in multi-year SBUV/2 assimilation experiments, comparing the results against the independent HIRDLSdataset and, for a longer period, with the MLS assimilation and discuss the consequences for tropospheric ozone and radiative forcing.

Wargan, K.↗

Limits on static shape control for space structures

This paper deals with correction of shape distortion due to zero-mean normally distributed errors in structural sizes. The concept of ideal actuators - actuators that can produce any desired displacement field - is introduced. Using this concept, a bound on the possible improvement in the expected value of the root-mean-square shape error is obtained. The shape correction associated with the ideal actuators is also characterized. An actuator effectiveness index is developed by comparing the displacement field generated by the actuator to the ideal. The results are specialized to a simple form for truss structures composed of nominally identical members. The bound and effectiveness index are tested on a 55-m radiometer antenna truss structure. It is found that previously obtained results for optimum actuators had a performance close to the bound obtained here. Also, it is found that large numbers of actuators are needed for large reductions in shape errors. Furthermore, the actuators associated with the optimum design are shown to have high effectiveness indices. Since only a small fraction of truss elements tend to have high effectiveness indices, the use of the effectiveness index can greatly reduce the number of truss members that need to be considered actuator sites.

Haftka, Raphael T.↗

Deep Nonparametric Estimation of Operators between Infinite Dimensional Spaces

Learning operators between infinitely dimensional spaces is an important learning task arising in machine learning, imaging science, mathematical modeling and simulations, etc. This paper studies the nonparametric estimation of Lipschitz operators using deep neural networks. Non-asymptotic upper bounds are derived for the generalization error of the empirical risk minimizer over a properly chosen network class. Under the assumption that the target operator exhibits a low dimensional structure, our error bounds decay as the training sample size increases, with an attractive fast rate depending on the intrinsic dimension in our estimation. Our assumptions cover most scenarios in real applications and our results give rise to fast rates by exploiting low dimensional structures of data in operator estimation. We also investigate the influence of network structures (e.g., network width, depth, and sparsity) on the generalization error of the neural network estimator and propose a general suggestion on the choice of network structures to maximize the learning efficiency quantitatively.

97 MATHEMATICS AND COMPUTING↗

The NASTRAN theoretical manual

Designed to accommodate additions and modifications, this commentary on NASTRAN describes the problem solving capabilities of the program in a narrative fashion and presents developments of the analytical and numerical procedures that underlie the program. Seventeen major sections and numerous subsections cover; the organizational aspects of the program, utility matrix routines, static structural analysis, heat transfer, dynamic structural analysis, computer graphics, special structural modeling techniques, error analysis, interaction between structures and fluids, and aeroelastic analysis.

Source record↗

Effects of source structure on astrometry and geodesy

VLBI hybrid maps of a number of radio sources have been used to make calculations of the effects of source structure on group delay and phase delay for baselines of different lengths. The effects on the two types of delay are of comparable magnitude and have a slightly stronger than linear dependence on baseline length. For sources selected to have only modest structure, the rms delay error caused by structure at 8.4 GHz is on the order of 30 to 50 picoseconds for intercontinental baselines.

Ulvestad, James S.↗

Characterizing Spatiotemporal Uncertainty in Interpolated Meteorological Data

Interpolated meteorological data invariably contain errors. These errors have structure in time and space, particularly autocorrelation, which can cause the effects of errors to compound when model outputs are aggregated temporally or spatially. One way to account for this uncertainty is with a probabilistic model from which samples can be drawn that are coherent with respect to underlying spatial and temporal covariance structure. This work describes a probabilistic method for spatial interpolation of point-wise meteorological time series. Observational data from weather stations are generally sparse in space and dense in time (but sometimes missing). The method works by projecting time series onto orthogonal basis vectors and spatially interpolating each resulting component independently. Under suitable assumptions, and data transformations to better satisfy those assumptions, Gaussian process regression provides a complete description of the joint predictive distribution over a Gaussian random field. Spatiotemporally coherent realizations are generated as the sum of conditional (spatial) simulations of each orthogonal (temporal) component. Data-derived and generic orthogonal bases are considered. In addition to spatial interpolation, imputation of missing observational data is examined. The method is applied using near-surface air temperature over the Western United States and validated by comparing theoretical versus actual coverage of predictive distributions and analyzing the degree to which spatial and temporal covariance structure is reproduced. Computational considerations, relating to conditional simulation of random fields, are also addressed.

Conor T Doherty↗

Deep nonparametric estimation of operators between infinite dimensional spaces

Learning operators between infinitely dimensional spaces is an important learning task arising in machine learning, imaging science, mathematical modeling and simulations, etc. This paper studies the nonparametric estimation of Lipschitz operators using deep neural networks. Non-asymptotic upper bounds are derived for the generalization error of the empirical risk minimizer over a properly chosen network class. Under the assumption that the target operator exhibits a low dimensional structure, our error bounds decay as the training sample size increases, with an attractive fast rate depending on the intrinsic dimension in our estimation. Our assumptions cover most scenarios in real applications and our results give rise to fast rates by exploiting low dimensional structures of data in operator estimation. We also investigate the influence of network structures (e.g., network width, depth, and sparsity) on the generalization error of the neural network estimator and propose a general suggestion on the choice of network structures to maximize the learning efficiency quantitatively.

97 MATHEMATICS AND COMPUTING↗

MS25: Materials Science-Focused Benchmark Data Set for Machine Learning Interatomic Potentials

Here, we present MS25, a benchmark data set for evaluating machine learning interatomic potentials (MLIPs) across diverse materials-relevant systems including MgO surfaces, liquid water, zeolites, a catalytic Pt surface reaction, high-entropy alloys (HEAs), and disordered Zr-oxides. Five MLIP architectures (MACE, NequIP, Allegro, MTP, and Torch-ANI) are trained and tested, focusing not only on traditional metrics (energies, forces, and stresses) but also explicitly validating derived physical observables such as lattice constants, volumes, and reaction barriers. We find that most models reach comparable accuracy on standard error metrics across the simple systems, although equivariant MLIPs offer 1.5–2× improvements over nonequivariant MLIPs in energy and force error for structurally complex or compositionally disordered environments such as HEAs and Zr–O systems. Our analysis highlights that low errors in energy and force predictions do not guarantee reliable observables, emphasizing the necessity of explicit validation. We demonstrate limitations in cross-framework transferability, as models trained on one zeolite framework (CHA) fail to reliably generalize to predictions of structurally distinct frameworks (e.g., MFI). Size-extensive tests show some dependence on system size for MgO, resulting from forced periodicity. The HEA and Zr–O data sets are identified as challenging tests for future benchmarks and MLIP model architecture developments as they show significant differentiation in error between MLIP architectures and are still relatively difficult at 1000 training images. Moving forward, we recommend that benchmarking efforts shift their focus from marginal accuracy improvements in energy and force errors toward identifying and understanding model failure modes, rigorously assessing transferability, and evaluating how their errors affect observable predictions. For researchers looking to choose an MLIP architecture, we suggest selecting equivariant MLIP architectures if the complexity of the system is a challenge. For simple materials problems, auxiliary features such as integration with molecular dynamics engines, trade-offs between computational data set generation cost vs MLIP inference speed, and framework integration may play a more important decision factor than small differences in error metrics that are unlikely to matter for production-level research.

chemical structure↗

Screening actuator locations for static shape control

Correction of shape distortion due to zero-mean normally distributed errors in structural sizes which are random variables is examined. A bound on the maximum improvement in the expected value of the root-mean-square shape error is obtained. The shape correction associated with the optimal actuators is also characterized. An actuator effectiveness index is developed and shown to be helpful in screening actuator locations in the structure. The results are specialized to a simple form for truss structures composed of nominally identical members. The bound and effectiveness index are tested on a 55-m radiometer antenna truss structure. It is found that previously obtained results for optimum actuators had a performance close to the bound obtained here. Furthermore, the actuators associated with the optimum design are shown to have high effectiveness indices. Since only a small fraction of truss elements tend to have high effectiveness indices, the proposed screening procedure can greatly reduce the number of truss members that need to be considered as actuator sites.

Haftka, Raphael T.↗

Precision of the calibration of the AXAF engineering test article (VETA) mirrors

Measurements of the VETA encircled energies have been performed at 5 energies within 16 radii ranging from 0.05 to 200 arcseconds. We report here on the analysis of the accuracy of those measurements. A common 'error tree' structure applies, and we present representative numbers for the larger terms. At 0.277, 1.5, and 2.07 keV, and for radii of 3 arcsec and larger, our measurements have estimated 1 sigma errors of 0.6 to 1.5 percent. Effects of measurement statistics and of the VETA test mount limit the accuracy at smaller angles, and modulation by the counter window support structure together with the imperfect position repeatability limit the accuracy for the 0.93 and 2.3 keV energies. We expect to mitigate these limitations when calibrating the complete AXAF flight mirror assembly.

Schwartz, D. A.↗

Precision of the calibration of the AXAF Engineering Test Article (VETA) mirrors

Measurements of the VETA encircled energies have been performed at 5 energies within 16 radii ranging from 0.05 to 200 arcseconds. We report here on the analysis of the accuracy of those measurements. A common 'error tree' structure applies, and we present representative numbers for the larger terms. At 0.277, 1.5, and 2.07 keV, and for radii of 3 arcsec and larger, our measurements have estimated 1 sigma errors of 0.6 to 1.5 percent. Effects of measurement statistics and of the VETA test mount limit the accuracy at smaller angles, and modulation by the counter window support structure together with the imperfect position repeatability limit the accuracy for the 0.93 and 2.3 keV energies. We expect to mitigate these limitations when calibrating the complete AXAF flight mirror assembly.

Schwartz, D. A.↗