Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “inverse prediction methods”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6

Latent Twins

Over the past decade, scientific machine learning has transformed the development of mathematical and computational frameworks for analyzing, modeling, and predicting complex systems. From inverse problems to numerical partial differential equations (PDEs), dynamical systems, and model reduction, these advances have pushed the boundaries of what can be simulated. Yet they have often progressed in parallel, with representation learning and algorithmic solution methods evolving largely as separate pipelines. With Latent Twins, we propose a unifying mathematical framework that creates a hidden surrogate in latent space for the underlying equations. Whereas digital twins mirror physical systems in the digital world, Latent Twins mirror mathematical systems in a learned latent space governed by operators. Through this lens, classical modeling, inversion, model reduction, and operator approximation all emerge as special cases of a single principle. We establish the fundamental approximation properties of Latent Twins for both ordinary differential equations (ODEs) and PDEs and demonstrate the framework across three representative settings: (i) canonical ODEs, capturing diverse dynamical regimes; (ii) a PDE benchmark using the shallow-water equations, contrasting Latent Twin simulations with deep operator network and forecasts with a four-dimensional variational method baseline; and (iii) a challenging real-data geopotential reanalysis dataset, reconstructing and forecasting from sparse, noisy observations. Latent Twins provide a compact, interpretable surrogate for solution operators that evaluate across arbitrary time gaps in a single-shot, while remaining compatible with scientific pipelines such as assimilation, control, and uncertainty quantification. Looking forward, this framework offers scalable, theory-grounded surrogates that bridge data-driven representation learning and classical scientific modeling across disciplines.

Latent Twins↗

Thermal remote sensing of surface soil water content with partial vegetation cover for incorporation into climate models

This study outlines a method for the estimation of regional patterns of surface moisture availability (M(sub 0)) and fractional vegetation (Fr) in the presence of spatially variable vegetation cover. The method requires relating variations in satellite-derived (NOAA, Advanced Very High Resolution Radiometer (AVHRR)) surface radiant temperature to a vegetation index (computed from satellite visible and near-infrared data) while coupling this association to an inverse modeling scheme. More than merely furnishing surface soil moisture values, the method constitues a new conceptual and practical approach for combining thermal infrared and vegetation index measurements for incorporating the derived values of M(sub 0) into hydrologic and atmospheric prediction models. Application of the technique is demonstrated for a region in and around the city of Newcastle upon Tyne situated in the northeast of England. A regional estimate of M(sub 0) is derived and is probabbly good for fractional vegetation cover up to 80% before errors in the estimated soil water content become unacceptably large. Moreover, a normalization scheme is suggested from which a nomogram, `universal triangle,' is constructed and is seen to fit the observed data well. The universal triangle also simplifies the inclusion of remotely derived M(sub 0) in hydrology and meteorological models and is perhaps a practicable step toward integrating derived data from satellite measurements in weather forecasting.

Gillies, Robert R.↗

Top-down Estimate of Dust Emissions Through Integration of MODIS and MISR Aerosol Retrievals With the Geos-chem Adjoint Model

Predicting the influences of dust on atmospheric composition, climate, and human health requires accurate knowledge of dust emissions, but large uncertainties persist in quantifying mineral sources. This study presents a new method for combined use of satellite-measured radiances and inverse modeling to spatially constrain the amount and location of dust emissions. The technique is illustrated with a case study in May 2008; the dust emissions in Taklimakan and Gobi deserts are spatially optimized using the GEOSChem chemical transport model and its adjoint constrained by aerosol optical depth (AOD) that are derived over the downwind dark-surface region in China from MODIS (Moderate Resolution Imaging Spectroradiometer) reflectance with the aerosol single scattering properties consistent with GEOS-chem. The adjoint inverse modeling yields an overall 51% decrease in prior dust emissions estimated by GEOS-Chem over the Taklimakan-Gobi area, with more significant reductions south of the Gobi Desert. The model simulation with optimized dust emissions shows much better agreement with independent observations from MISR (Multi-angle Imaging SpectroRadiometer) AOD and MODIS Deep Blue AOD over the dust source region and surface PM10 concentrations. The technique of this study can be applied to global multi-sensor remote sensing data for constraining dust emissions at various temporal and spatial scales, and hence improving the quantification of dust effects on climate, air quality, and human health.

MODIS aerosol retrievals↗

Graphical and Numerical Description of Strain-Gage Balance Interactions

A new approach for the graphical and numerical description of balance interactions is presented. The approach uses data from single-component loads as input. This choice has the two advantages. First, the number of applied loads is at the minimum needed for interactions to be observed. In addition, the loads used for the description of interactions can easily be repeated at different sites. Output differences relative to the outputs of the zero load point of a load series are used for the description of interactions. Similarly, load differences relative to the loads of the zero load point of a load series are used for the description of the loads. Interactions are plotted versus the load differences for each load component while omitting the outputs of the primary gage of the chosen load component. The resulting plots have a characteristic star pattern as interactions are zero at zero load. Numerical estimates of the slopes of the interactions can be reverse-engineered from the load prediction equations of a balance if calibration data is examined. The slopes are the off-diagonal coefficients of the inverse of the matrix that has the coefficients of the linear terms of the fitted loads if the Non-Iterative Method is used for the analysis. Similarly, the slopes are the off-diagonal coefficients of the inverse of the matrix that is the non-iterative part of the primary load iteration equation if the Iterative Method is used for the analysis. Data from the calibration of a force balance is processed to illustrate the proposed graphical and numerical description of interactions.

wind tunnel test↗

Graphical and Numerical Description of Strain-Gage Balance Interactions

A new approach for the graphical and numerical description of strain-gage balance interactions is presented. The approach uses data from single-component loads as input. This choice has the two advantages. First, the number of applied loads is at the minimum needed for interactions to be observed. In addition, the loads used for the description of interactions can easily be repeated at different sites. Output differences relative to the outputs of the zero load point of a load series are used for the description of interactions. Similarly, load differences relative to the loads of the zero load point of a load series are used for the description of the loads. Interactions are plotted versus the load differences for each load component while omitting outputs of the primary gage of the chosen load component. The resulting plots have a star pattern as all interactions are zero at zero load. Estimates of the slopes of the interactions can be obtained from the load prediction equations of a balance if calibration data is examined. The slopes are the off-diagonal coefficients of the inverse of the matrix that has the coefficients of the linear terms of the fitted loads if the Non-Iterative Method is used for the analysis. Similarly, the slopes are the off-diagonal coefficients of the inverse of the matrix that is the non-iterative part of the primary load iteration equation if the Iterative Method is used for the analysis. Data sets from a manual and a machine calibration of a force balance are processed to illustrate the proposed description of interactions.

strain-gage balance↗

Catalytic Activity of an Ensemble of Sites for CO 2 Hydrogenation to Methanol on a ZrO 2 -on-Cu Inverse Catalyst

The significant increase in CO 2 emissions from heavy fossil fuel utilization has raised serious concerns, highlighting the need for effective methods to convert CO 2 into value-added chemicals. Here, in this work, we report a computational investigation on the catalytic activity of ZrO 2 -on-Cu inverse catalysts for CO 2 hydrogenation to methanol, considering highly dispersed ZrO 2 trimers on Cu (111). Such clusters present a large ensemble of formate-containing configurations, Zr 3 O n (OH) m (OCHO) l , making the evaluation of the catalytic activity very challenging. We found that the sites on the various catalyst configurations exhibit markedly different activities for formate hydrogenation, despite their similar free energy and composition. To understand these differences in reactivity, we examined the structural and electronic nature of the low free-energy catalyst configurations and identified that the energy of the lowest unoccupied orbital of the reacting formate, modified by its binding with the catalytic site, is a descriptor for the reaction energy of the formate hydrogenation step. From there, we screened an ensemble of catalyst structures using this descriptor to predict highly active metastable catalyst configurations and computed the reaction pathways and transition states for formate hydrogenation. From this investigation, we distinguished reactive from nonreactive sites and formate species on the ZrO 2 /Cu inverse catalyst based on structural and electronic features. We showed that rare metastable configurations control the activity. Additionally, an efficient method for examining the reactivity of a large number of coexisting catalyst structures was developed.

catalysts↗

Active meta-learning for predicting and selecting perovskite crystallization experiments

Autonomous experimentation systems use algorithms and data from prior experiments to select and perform new experiments in order to meet a specified objective. In most experimental chemistry situations, there is a limited set of prior historical data available, and acquiring new data may be expensive and time consuming, which places constraints on machine learning methods. Active learning methods prioritize new experiment selection by using machine learning model uncertainty and predicted outcomes. Meta-learning methods attempt to construct models that can learn quickly with a limited set of data for a new task. Here in this paper, we applied the model-agnostic meta-learning (MAML) model and the Probabilistic LATent model for Incorporating Priors and Uncertainty in few-Shot learning (PLATIPUS) approach, which extends MAML to active learning, to the problem of halide perovskite growth by inverse temperature crystallization. Using a dataset of 1870 reactions conducted using 19 different organoammonium lead iodide systems, we determined the optimal strategies for incorporating historical data into active and meta-learning models to predict reaction compositions that result in crystals. We then evaluated the best three algorithms (PLATIPUS and active-learning k-nearest neighbor and decision tree algorithms) with four new chemical systems in experimental laboratory tests. With a fixed budget of 20 experiments, PLATIPUS makes superior predictions of reaction outcomes compared to other active-learning algorithms and a random baseline.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Irrigation Requirement Estimation using MODIS Vegetation Indices and Inverse Biophysical Modeling; A Case Study for Oran, Algeria

Human demand for food influences the water cycle through diversion and extraction of fresh water needed to support agriculture. Future population growth and economic development alone will substantially increase water demand and much of it for agricultural uses. For many semi-arid lands, socio-economic shifts are likely to exacerbate changes in climate as a driver of future water supply and demand. For these areas in particular, where the balance between water supply and demand is fragile, variations in regional climate can have potentially predictable effect on agricultural production. Satellite data and biophysically-based models provide a powerful method to quantify the interactions between local climate, plant growth and water resource requirements. In irrigated agricultural lands, satellite observations indicate high vegetation density while the precipitation amount indicates otherwise. This inconsistency between the observed precipitation and the observed canopy leaf density triggers the possibility that the observed high leaf density is due to an alternate source of water, irrigation. We explore an inverse process approach using observations from the Moderate Resolution Imaging Spectroradiometer (MODIS), climatological data, and the NASA's Simple Biosphere model, SiB2, to quantitatively assess water demand in a semi-arid agricultural land by constraining the carbon and water cycles modeled under both equilibrium (balance between vegetation and prevailing local climate) and nonequilibrium (water added through irrigation) conditions. We postulate that the degree to which irrigated lands vary from equilibrium conditions is related to the amount of irrigation water used. We added water using two distribution methods: The first method adds water on top of the canopy and is a proxy for the traditional spray irrigation. The second method allows water to be applied directly into the soil layer and serves as proxy for drip irrigation. Our approach indicates that over the study site, for the month of July, spray irrigation resulted in an irrigation amount of about 1.4 mm per occurrence with an average frequency of occurrence of 24.6 hours. The simulated total monthly irrigation for July was 34.85 mm. In contrast, the drip irrigation resulted in less frequent irrigation events with an average water requirement about 57% less than that simulated during the spray irrigation case. The efficiency of the drip irrigation method rests on its reduction of the canopy interception loss compared to the spray irrigation method. When compared to a country-wide average estimate of irrigation water use, our numbers are quite low. We would have to revise the reported country level estimates downward to 17% or less

Bounoua, L.↗

Solving multiphysics-based inverse problems with learned surrogates and constraints

Abstract Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining computationally cheap learned surrogates with learned constraints. Not only does this combination lead to vastly improved inversions for the important fluid-flow property, permeability, it also provides a natural platform for inverting multimodal data including well measurements and active-source time-lapse seismic data. By adding a learned constraint, we arrive at a computationally feasible inversion approach that remains accurate. This is accomplished by including a trained deep neural network, known as a normalizing flow, which forces the model iterates to remain in-distribution, thereby safeguarding the accuracy of trained Fourier neural operators that act as surrogates for the computationally expensive multiphase flow simulations involving partial differential equation solves. By means of carefully selected experiments, centered around the problem of geological carbon storage, we demonstrate the efficacy of the proposed constrained optimization method on two different data modalities, namely time-lapse well and time-lapse seismic data. While permeability inversions from both these two modalities have their pluses and minuses, their joint inversion benefits from either, yielding valuable superior permeability inversions and CO 2 plume predictions near, and far away, from the monitoring wells.

Yin, Ziyi (ORCID:0000000250248771)↗

A unique method to study acoustic transmission through ducts using signal synthesis and averaging of acoustic pulses

An acoustic impulse technique using a loudspeaker driver is developed to measure the acoustic properties of a duct/nozzle system. A signal synthesis method is used to generate a desired single pulse with a flat spectrum. The convolution of the desired signal and the inverse Fourier transform of the reciprocal of the driver's response are then fed to the driver. A signal averaging process eliminates the jet mixing noise from the mixture of jet noise and the internal noise, thereby allowing very low intensity signals to be measured accurately, even for high velocity jets. A theoretical analysis is carried out to predict the incident sound field; this is used to help determine the number and locations of the induct measurement points to account for the contributions due to higher order modes present in the incident tube method. The impulse technique is validated by comparing experimentally determined acoustic characteristics of a duct-nozzle system with similar results obtained by the impedance tube method. Absolute agreement in the comparisons was poor, but the overall shapes of the time histories and spectral distributions were much alike.

Salikuddin, M.↗

A Comparison of Land Surface Model Soil Hydraulic Properties Estimated by Inverse Modeling and Pedotransfer Functions

Soil hydraulic properties (SHPs) regulate the movement of water in the soil. This in turn plays an important role in the water and energy cycles at the land surface. At present, SHPS are commonly defined by a simple pedotransfer function from soil texture class, but SHPs vary more within a texture class than between classes. To examine the impact of using soil texture class to predict SHPS, we run the Noah land surface model for a wide variety of measured SHPs. We find that across a range of vegetation cover (5 - 80% cover) and climates (250 - 900 mm mean annual precipitation), soil texture class only explains 5% of the variance expected from the real distribution of SHPs. We then show that modifying SHPs can drastically improve model performance. We compare two methods of estimating SHPs: (1) inverse method, and (2) soil texture class. Compared to texture class, inverse modeling reduces errors between measured and modeled latent heat flux from 88 to 28 w/m(exp 2). Additionally we find that with increasing vegetation cover the importance of SHPs decreases and that the van Genuchten m parameter becomes less important, while the saturated conductivity becomes more important.

Gutmann, Ethan D.↗

Physics-Informed Deep Learning for Reconstruction of Spatial Missing Climate Information in the Antarctic

Understanding the influence of the Antarctic on the global climate is crucial for the prediction of global warming. However, due to very few observation sites, it is difficult to reconstruct the rational spatial pattern by filling in the missing values from the limited site observations. To tackle this challenge, regional spatial gap-filling methods, such as Kriging and inverse distance weighted (IDW), are regularly used in geoscience. Nevertheless, the reconstructing credibility of these methods is undesirable when the spatial structure has massive missing pieces. Inspired by image inpainting, we propose a novel deep learning method that demonstrates a good effect by embedding the physics-aware initialization of deep learning methods for rapid learning and capturing the spatial dependence for the high-fidelity imputation of missing areas. We create the benchmark dataset that artificially masks the Antarctic region with ratios of 30%, 50% and 70%. The reconstructing monthly mean surface temperature using the deep learning image inpainting method RFR (Recurrent Feature Reasoning) exhibits an average of 63% and 71% improvement of accuracy over Kriging and IDW under different missing rates. With regard to wind speed, there are still 36% and 50% improvements. In particular, the achieved improvement is even better for the larger missing ratio, such as under the 70% missing rate, where the accuracy of RFR is 68% and 74% higher than Kriging and IDW for temperature and also 38% and 46% higher for wind speed. In addition, the PI-RFR (Physics-Informed Recurrent Feature Reasoning) method we proposed is initialized using the spatial pattern data simulated by the numerical climate model instead of the unified average. Compared with RFR, PI-RFR has an average accuracy improvement of 10% for temperature and 9% for wind speed. When applied to reconstruct the spatial pattern based on the Antarctic site observations, where the missing rate is over 90%, the proposed method exhibits more spatial characteristics than Kriging and IDW.

54 ENVIRONMENTAL SCIENCES↗

Comparison of several methods for obtaining the time response of linear systems to either a unit impulse or arbitrary input from frequency-response data

Several methods of obtaining the time response of Linear systems to either a unit impulse or an arbitrary input from frequency-response data are described and compared. Comparisons indicate that all the methods give good accuracy when applied to a second-order system; the main difference is the required computing time. The methods generally classified as inverse Laplace transform methods were found to be most effective in determining the response to a unit impulse from frequency-response data of higher order systems. Some discussion and examples are given of the use of such methods as flight-data-analysis techniques in predicting loads and motions of a flexible aircraft on the basis of simple calculations when the aircraft frequency response is known.

Donegan, James J↗

An Adjoint-Based Analysis of the Sampling Footprints of Tall Tower, Aircraft and Potential Future Lidar Observations of CO2

A detailed mechanistic understanding of the sources and sinks of CO2 will be required to reliably predict future CO2 levels and climate. A commonly used technique for deriving information about CO2 exchange with surface reservoirs is to solve an 'inverse problem', where CO2 observations are used with an atmospheric transport model to find the optimal distribution of sources and sinks. Synthesis inversion methods are powerful tools for addressing this question, but the results are disturbingly sensitive to the details of the calculation. Studies done using different atmospheric transport models and combinations of surface station data have produced substantially different distributions of surface fluxes. Adjoint methods are now being developed that will more effectively incorporate diverse datasets in estimates of surface fluxes of CO2. In an adjoint framework, it will be possible to combine CO2 concentration data from longterm surface and aircraft monitoring stations with data from intensive field campaigns and with proposed future satellite observations. We have recently developed an adjoint for the GSFC 3-D Parameterized Chemistry and Transport Model (PCTM). Here, we will present results from a PCTM Adjoint study comparing the sampling footprints of tall tower, aircraft and potential future lidar observations of CO2. The vertical resolution and extent of the profiles and the observation frequency will be considered for several sites in North America.

Andrews, Arlyn↗

Solving high-dimensional inverse problems using amortized likelihood-free inference with noisy and incomplete data

Here, we present a likelihood-free probabilistic inversion method based on normalizing flows for high-dimensional inverse problems. The proposed method is composed of two complementary networks: a summary network for data compression and an inference network for parameter estimation. The summary network encodes raw observations into a fixed-size vector of summary features, while the inference network generates samples of the approximate posterior distribution of the model parameters based on these summary features. The posterior samples are produced in a deep generative fashion by sampling from a latent Gaussian distribution and passing these samples through an invertible transformation. We construct this invertible transformation by sequentially alternating conditional invertible neural network and conditional neural spline flow layers. The summary and inference networks are trained simultaneously. We apply the proposed method to an inversion problem in groundwater hydrology to estimate the posterior distribution of the log-conductivity field conditioned on spatially sparse time-series observations of the system’s hydraulic head responses. The conductivity field is represented with 706 degrees of freedom in the considered problem. Comparison with the likelihood-based iterative ensemble smoother PEST-IES method demonstrates that the proposed method accurately estimates the parameter posterior distribution and the observations’ predictive posterior distribution at a fraction of the inference time of PEST-IES.

conditional invertible neural network↗

Efficient mapping between void shapes and stress fields using Deep Convolutional Neural Networks with sparse data

Establishing fast and accurate structure-to-property relationships is an important component in the design and discovery of advanced materials. Physics-based simulation models like the finite element method (FEM) are often used to predict deformation, stress, and strain fields as a function of material microstructure in material and structural systems. Such models may be computationally expensive and time intensive if the underlying physics of the system is complex. This limits their application to solve inverse design problems and identify structures that maximize performance. In such scenarios, surrogate models are employed to make the forward mapping computationally efficient to evaluate. However, the high dimensionality of the input microstructure and the output field of interest often renders such surrogate models inefficient, especially when dealing with sparse data. Deep convolutional neural network (CNN) based surrogate models have shown great promise in handling such high-dimensional problems. In this paper, a single ellipsoidal void structure under a uniaxial tensile load represented by a linear elastic, high-dimensional and expensive-to-query, FEM model. We consider two deep CNN architectures, a modified convolutional autoencoder framework with a fully connected bottleneck and a UNet CNN, and compare their accuracy in predicting the von Mises stress field for any given input void shape in the FEM model. Additionally, a sensitivity analysis study is performed using the two approaches, where the variation in the prediction accuracy on unseen test data is studied through numerical experiments by varying the number of training samples from 20 to 100.

surrogate modeling; convolutional neural networks;↗

Feasibility of combining linear theory and impact theory methods for the analysis and design of high speed configurations

The aerodynamic influence coefficients calculated using an existing linear theory program were used to modify the pressures calculated using impact theory. Application of the combined approach to several wing-alone configurations shows that the combined approach gives improved predictions of the local pressure and loadings over either linear theory alone or impact theory alone. The approach not only removes most of the short-comings of the individual methods, as applied in the Mach 4 to 8 range, but also provides the basis for an inverse design procedure applicable to high speed configurations.

Brooke, D.↗

hIPPYlib-MUQ: A Bayesian Inference Software Framework for Integration of Data with Complex Predictive Models under Uncertainty

Bayesian inference provides a systematic framework for integration of data with mathematical models to quantify the uncertainty in the solution of the inverse problem. However, the solution of Bayesian inverse problems governed by complex forward models described by partial differential equations (PDEs) remains prohibitive with black-box Markov chain Monte Carlo (MCMC) methods. We present hIPPYlib-MUQ, an extensible and scalable software framework that contains implementations of state-of-the art algorithms aimed to overcome the challenges of high-dimensional, PDE-constrained Bayesian inverse problems. These algorithms accelerate MCMC sampling by exploiting the geometry and intrinsic low-dimensionality of parameter space via derivative information and low rank approximation. The software integrates two complementary open-source software packages, hIPPYlib and MUQ. hIPPYlib solves PDE-constrained inverse problems using automatically-generated adjoint-based derivatives, but it lacks full Bayesian capabilities. MUQ provides a spectrum of powerful Bayesian inversion models and algorithms, but expects forward models to come equipped with gradients and Hessians to permit large-scale solution. By combining these two complementary libraries, we created a robust, scalable, and efficient software framework that realizes the benefits of each and allows us to tackle complex large-scale Bayesian inverse problems across a broad spectrum of scientific and engineering disciplines. To illustrate the capabilities of hIPPYlib-MUQ, we present a comparison of a number of MCMC methods available in the integrated software on several high-dimensional Bayesian inverse problems. These include problems characterized by both linear and nonlinear PDEs, various noise models, and different parameter dimensions. The results demonstrate that large (~ 50×) speedups over conventional black box and gradient-based MCMC algorithms can be obtained by exploiting Hessian information (from the log-posterior), underscoring the power of the integrated hIPPYlib-MUQ framework.

97 MATHEMATICS AND COMPUTING↗