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G2Aero Database of Airfoils - Curated Airfoils

This dataset contains a curated set of 19,164 airfoil shapes from various applications and the data-driven design space of separable shape tensors (PGA space), which can be used as a parameter space for machine-learning applications focused on airfoil shapes. We constructed the airfoil dataset in two main stages. First, we identified 13 baseline airfoils from the NREL 5MW and IEA 15MW reference wind turbines. We reparameterized these shapes using least-squares fits of 8-order CST parametrizations, which involve 18 coefficients. By uniformly perturbing all 18 CST coefficients by +/-20% around each baseline airfoil, we generated 1,000 unique airfoils. Each airfoil was sampled with 1,001 shape landmarks whose x-coordinates followed a cosine distribution along the chord. This process resulted in a total of 13,000 airfoil shapes, each with 1,001 landmarks. In the second phase, we gathered additional airfoils from the extensive BigFoil database, which consolidates data from sources such as the University of Illinois Urbana-Champaign (UIUC) airfoil database, the JavaFoil database, the NACA-TR-824 database, and others. We undertook a thorough pre-processing step to filter out shapes with sparse, noisy, or incomplete data. We also removed airfoils with sharp leading edge and those exceeding our threshold for trailing edge thickness. Additionally, we thinned out the collection of NACA airfoils-- parametric sweeps of NACA airfoils with increasing thickness and camber present in BigFoil database-- by selecting every fourth step in the parameter sweeps. Finally, we regularized the airfoils by reparametrizing them with an 8-order CST parametrization (with 1,001 shape landmarks with x coordinated following cosine distribution along the chord) and removing airfoils with high reconstruction errors. This data pre-processing resulted in a set of 6,164 airfoils. In total, our curated airfoil dataset comprises 19,164 airfoils, each with 1,001 landmarks, and is stored in the curated_airfoils.npz file. Using this curated airfoil dataset, we utilized the separable shape tensors framework to develop a data-driven parameterization of airfoils based on principal geodesic analysis (PGA) of separable shape tensors. This PGA space is provided in PGAspace.npz file.

airfoils↗

The infrared variability of the eruptive variable HM Sagittae

Recent near infrared observations have been obtained of the peculiar eruptive variable HM Sagittae which show a general decrease in the flux levels between 1 and 5 microns during 1977-1978. The existing data are yet too sparse to ascertain the nature of the variability; however, both the IR and visual observations confirm the close resemblance of HM Sge to V1016 Cyg. A model of a binary symbiotic system containing a late type variable may be consistent with the current data.

Slovak, M. H.↗

Evaluation Analysis of NASA SMAP L3 and L4 and SPoRT-LIS Soil Moisture Data in the United States

Soil moisture has a critical role in the development, frequency and persistence of climatic and hydrologic extremes such as drought, heat wave and flooding events. In situ soil moisture data are uneven and sparse in time and space. This highlights the need to utilize other soil moisture sources to fill this spatiotemporal gap. The goal of this study is to validate one satellite-based and two model-based soil moisture datasets with in situ data across the United States. Soil moisture information from the Soil Moisture Active Passive (SMAP) enhanced level 3 (L3) (SMAP L3) and modeled level 4 (L4) (SMAP L4) data at 9-km resolution and Short-term Prediction Research and Transition-Land Information System (SPoRT-LIS) modeled at 3-km resolution were selected for evaluation. SPoRT-LIS is a near real-time, high resolution operational land analysis data. Ground-based data were obtained from the North American Soil Moisture Database (NASMD) for 362 stations. Seven statistical indicators including anomaly, Spearman, and Pearson correlation coefficients, the systematic error (Bias), root mean square error (RMSE), unbiased root mean square error (ubRMSE), and normalized standard deviation (SDV) were used to evaluate the satellite- and model-derived soil moisture data. In addition, the triple collocation (TC) error model was used to measure the error among SMAP L4, SPoRT-LIS and ground-based data. This study assesses which satellite or modeled dataset is most appropriate for specific times and locations to use as a surrogate for in situ observations. Temporal and spatial analysis demonstrated that, overall, SMAP L4 performed better than SMAP L3 and SPoRT-LIS. Strong agreement was observed between SMAP L4 and in situ observations (ρ = 0.53, Bias = −0.006) in all seasons and most regions with various land covers, especially in winter and in the central regions of the United States. For croplands, SMAP L4 presented the best agreement with in situ data, analyzing all period (ρ = 0.60) and non-winter period (ρ = 0.61) separately.

Tavakol, Ameneh↗

A geometry package for generation of input data for a three-dimensional potential-flow program

The preparation of geometric data for input to three-dimensional potential flow programs was automated and simplified by a geometry package incorporated into the NASA Langley version of the 3-D lifting potential flow program. Input to the computer program for the geometry package consists of a very sparse set of coordinate data, often with an order of magnitude of fewer points than required for the actual potential flow calculations. Isolated components, such as wings, fuselages, etc. are paneled automatically, using one of several possible element distribution algorithms. Curves of intersection between components are calculated, using a hybrid curve-fit/surface-fit approach. Intersecting components are repaneled so that adjacent elements on either side of the intersection curves line up in a satisfactory manner for the potential-flow calculations. Many cases may be run completely (from input, through the geometry package, and through the flow calculations) without interruption. Use of the package significantly reduces the time and expense involved in making three-dimensional potential flow calculations.

Halsey, N. D.↗

A fast and accurate domain decomposition nonlinear manifold reduced order model

Here, this paper integrates nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD). NM ROMs approximate the full order model (FOM) state in a nonlinear-manifold by training a shallow, sparse autoencoder using FOM snapshot data. These NM-ROMs can be advantageous over linear-subspace ROMs (LS-ROMs) for problems with slowly decaying Kolmogorov n-width. However, the number of NM-ROM parameters that need to be trained scales with the size of the FOM. Moreover, for “extreme-scale” problems, the storage of high-dimensional FOM snapshots alone can make ROM training expensive. To alleviate the training cost, this paper applies DD to the FOM, computes NM-ROMs on each subdomain, and couples them to obtain a global NM-ROM. This approach has several advantages: Subdomain NM-ROMs can be trained in parallel, involve fewer parameters to be trained than global NM-ROMs, require smaller subdomain FOM dimensional training data, and can be tailored to subdomain specific features of the FOM. The shallow, sparse architecture of the autoencoder used in each subdomain NM-ROM allows application of hyper-reduction (HR), reducing the complexity caused by nonlinearity and yielding computational speedup of the NM-ROM. This paper provides the first application of NM-ROM (with HR) to a DD problem. In particular, this paper details an algebraic DD reformulation of the FOM, training a NM-ROM with HR for each sub domain, and a sequential quadratic programming (SQP) solver to evaluate the coupled global NM-ROM. Theoretical convergence results for the SQP method and a priori and a posteriori error estimates for the DD NM-ROM with HR are provided. The proposed DD NM-ROM with HR approach is numerically compared to a DD LS-ROM with HR on the 2D steady-state Burgers’ equation, showing an order of magnitude improvement in accuracy of the proposed DD NM-ROM over the DD LS-ROM.

97 MATHEMATICS AND COMPUTING↗

Flight Operations Analysis Tool

Flight Operations Analysis Tool (FLOAT) is a computer program that partly automates the process of assessing the benefits of planning spacecraft missions to incorporate various combinations of launch vehicles and payloads. Designed primarily for use by an experienced systems engineer, FLOAT makes it possible to perform a preliminary analysis of trade-offs and costs of a proposed mission in days, whereas previously, such an analysis typically lasted months. FLOAT surveys a variety of prior missions by querying data from authoritative NASA sources pertaining to 20 to 30 mission and interface parameters that define space missions. FLOAT provides automated, flexible means for comparing the parameters to determine compatibility or the lack thereof among payloads, spacecraft, and launch vehicles, and for displaying the results of such comparisons. Sparseness, typical of the data available for analysis, does not confound this software. FLOAT effects an iterative process that identifies modifications of parameters that could render compatible an otherwise incompatible mission set.

Easter, Robert↗

MLtool: Universal Supervised Machine Learning Tool to Model Tabulated Data

Machine Learning (ML) is a subfield of Artificial Intelligence that gives computers the ability to learn from past data without being explicitly programmed. The predictive capabilities of ML models have already been used to facilitate several scientific breakthroughs. However, the practical application of ML is often limited due to the gaps in technical knowledge of its users. The common issue faced by many scientific researchers is the inability to choose the appropriate ML pipelines that are needed to treat real-world data, which is often sparse and noisy. To solve this problem, we have developed an automated Machine Learning tool (MLtool) that includes a set of ML algorithms and approaches to aid scientific researchers. The current version of MLtool is implemented as an object-oriented Python code that is easily extensible. It includes 44 different regression algorithms used to model data. MLtool helps users select the best model for their data, based on the scoring metrics used. Besides regression algorithms, MLtool also includes a suite of pre- and post-processing techniques such as missing value imputation, categorical variable encoding, input feature normalization, uncertainty quantification, exploratory data analysis (EDA), etc. MLtool was tested on several publicly available multi-dimensional data sets and was found capable of making accurate predictions.

Machine learning↗

MLtool Python Code

Machine Learning (ML) is a subfield of Artificial Intelligence that gives computers the ability to learn from past data without being explicitly programmed. The predictive capabilities of ML models have already been used to facilitate several scientific breakthroughs. However, the practical application of ML is often limited due to the gaps in technical knowledge of its users. The common issue faced by many scientific researchers is the inability to choose the appropriate ML pipelines that are needed to treat real-world data, which is often sparse and noisy. To solve this problem, we have developed an automated Machine Learning tool (MLtool) that includes a set of ML algorithms and approaches to aid scientific researchers. The current version of MLtool is implemented as an object-oriented Python code that is easily extensible. It includes 44 different regression algorithms used to model data. MLtool helps users select the best model for their data, based on the scoring metrics used. Besides regression algorithms, MLtool also includes a suite of pre- and post-processing techniques such as missing value imputation, categorical variable encoding, input feature normalization, uncertainty quantification, exploratory data analysis (EDA), etc. MLtool was tested on several publicly available multi-dimensional data sets and was found capable of making accurate predictions.

Machine Learning↗

Spherical disharmonics in the Earth sciences and the spatial solution: Ridges, hotspots, slabs, geochemistry and tomography correlations

There is increasing use of statistical correlations between geophysical fields and between geochemical and geophysical fields in attempts to understand how the Earth works. Typically, such correlations have been based on spherical harmonic expansions. The expression of functions on the sphere as spherical harmonic series has many pitfalls, especially if the data are nonuniformly and/or sparsely sampled. Many of the difficulties involved in the use of spherical harmonic expansion techniques can be avoided through the use of spatial domain correlations, but this introduces other complications, such as the choice of a sampling lattice. Additionally, many geophysical and geochemical fields fail to satisfy the assumptions of standard statistical significance tests. This is especially problematic when the data values to be correlated with a geophysical field were collected at sample locations which themselves correlate with that field. This paper examines many correlations which have been claimed in the past between geochemistry and mantle tomography and between hotspot, ridge, and slab locations and tomography using both spherical harmonic coefficient correlations and spatial domain correlations. No conclusively significant correlations are found between isotopic geochemistry and mantle tomography. The Crough and Jurdy (short) hotspot location list shows statistically significant correlation with lowermost mantle tomography for degree 2 of the spherical harmonic expansion, but there are no statistically significant correlations in the spatial case. The Vogt (long) hotspot location list does not correlate with tomography anywhere in the mantle using either technique. Both hotspot lists show a strong correlation between hotspot locations and geoid highs when spatially correlated, but no correlations are revealed by spherical harmonic techniques. Ridge locations do not show any statistically significant correlations with tomography, slab locations, or the geoid; the strongest correlation is with lowermost mantle tomography, which is probably spurious. The most striking correlations are between mantle tomography and post-Pangean subducted slabs. The integrated locations of slabs correlate strongly with fast areas near the transition zone and the core-mantle boundary and with slow regions from 1022-1248 km depth. This seems to be consistent with the 'avalanching' downwellings which have been indicated by models of the mantle which include an endothermic phase transition at the 670-km discontinuity, although this is not a unique interpretation. Taken as a whole, these results suggest that slabs and associated cold downwellings are the dominant feature of mantle convection. Hotspot locations are no better correlated with lower mantle tomography than are ridge locations.

Ray, Terrill W.↗

Canopy reflectance modeling in a tropical wooded grassland

Geometric/optical canopy reflectance modeling and spatial/spectral pattern recognition is used to study the form and structure of savanna in West Africa. An invertible plant canopy reflectance model is tested for its ability to estimate the amount of woody vegetation from remotely sensed data in areas of sparsely wooded grassland. Dry woodlands and wooded grasslands, commonly referred to as savannas, are important ecologically and economically in Africa, and cover approximately forty percent of the continent by some estimates. The Sahel and Sudan savannas make up the important and sensitive transition zone between the tropical forests and the arid Sahara region. The depletion of woody cover, used for fodder and fuel in these regions, has become a very severe problem for the people living there. LANDSAT Thematic Mapper (TM) data is used to stratify woodland and wooded grassland into areas of relatively homogeneous canopy cover, and then an invertible forest canopy reflectance model is applied to estimate directly the height and spacing of the trees in the stands. Because height and spacing are proportional to biomass in some cases, a successful application of the segmentation/modeling techniques will allow direct estimation of tree biomass, as well as cover density, over significant areas of these valuable and sensitive ecosystems. The model being tested in sites in two different bioclimatic zones in Mali, West Africa, will be used for testing the canopy model. Sudanian zone crop/woodland test sites were located in the Region of Segou, Mali.

Simonett, David↗

Phenomena Portal: Large- Scale Visual Exploration of Atmospheric Phenomena

The Earth science community is experiencing a high influx of remote sensing data due to recent advancements in sensor technology. This enables the community to extend their research on a larger scale than ever before. Unfortunately, traditional data processing techniques do not scale well to these new, high volume data sources. State-of-the-art machine learning (ML) pipelines have been proven to overcome these burdens in various other fields but are underexploited within the physical sciences community. Moreover, ML is reliant on labeled data, which is currently sparsely available, owing to the fact that ML adoption is still in the early stages within the Earth and atmospheric science communities. To address these issues, we developed the Phenomena Portal, a visual exploration tool that uses ML to detect various atmospheric phenomena on a global scale. This allows the Earth and atmospheric science communities to view trends of occurrences of phenomena, identify potential relationships between them, and analyze spatiotemporal patterns over time. These detections can also serve as initial labeled data for ML research pertaining to the respective phenomena. The tool also incorporates feedback from subject matter experts to further improve the model detection accuracy, thereby facilitating human-in-the-loop. This presentation will provide an overview of the ML model development and cloud deployment. We also discuss the capabilities of the user interface for displaying the detections.

Muthukumaran Ramasubramanian↗

Bayesian learning with Gaussian processes for low-dimensional representations of time-dependent nonlinear systems

This work presents a data-driven method for learning low-dimensional time-dependent physics-based surrogate models whose predictions are endowed with uncertainty estimates. We use the operator inference approach to model reduction that poses the problem of learning low-dimensional model terms as a regression of state space data and corresponding time derivatives by minimizing the residual of reduced system equations. Standard operator inference models perform well with accurate training data that are dense in time, but producing stable and accurate models when the state data are noisy and/or sparse in time remains a challenge. Another challenge is the lack of uncertainty estimation for the predictions from the operator inference models. Our approach addresses these challenges by incorporating Gaussian process surrogates into the operator inference framework to (1) probabilistically describe uncertainties in the state predictions and (2) procure analytical time derivative estimates with quantified uncertainties. The formulation leads to a generalized least-squares regression and, ultimately, reduced-order models that are described probabilistically with a closed-form expression for the posterior distribution of the operators. The resulting probabilistic surrogate model propagates uncertainties from the observed state data to reduced-order predictions. Furthermore, we demonstrate the method is effective for constructing low-dimensional models of two nonlinear partial differential equations representing a compressible flow and a nonlinear diffusion–reaction process, as well as for estimating the parameters of a low-dimensional system of nonlinear ordinary differential equations representing compartmental models in epidemiology.

Data-driven model reduction↗

Driving a car with custom-designed fuzzy inferencing VLSI chips and boards

Vehicle control in a-priori unknown, unpredictable, and dynamic environments requires many calculational and reasoning schemes to operate on the basis of very imprecise, incomplete, or unreliable data. For such systems, in which all the uncertainties can not be engineered away, approximate reasoning may provide an alternative to the complexity and computational requirements of conventional uncertainty analysis and propagation techniques. Two types of computer boards including custom-designed VLSI chips were developed to add a fuzzy inferencing capability to real-time control systems. All inferencing rules on a chip are processed in parallel, allowing execution of the entire rule base in about 30 microseconds, and therefore, making control of 'reflex-type' of motions envisionable. The use of these boards and the approach using superposition of elemental sensor-based behaviors for the development of qualitative reasoning schemes emulating human-like navigation in a-priori unknown environments are first discussed. Then how the human-like navigation scheme implemented on one of the qualitative inferencing boards was installed on a test-bed platform to investigate two control modes for driving a car in a-priori unknown environments on the basis of sparse and imprecise sensor data is described. In the first mode, the car navigates fully autonomously, while in the second mode, the system acts as a driver's aid providing the driver with linguistic (fuzzy) commands to turn left or right and speed up or slow down depending on the obstacles perceived by the sensors. Experiments with both modes of control are described in which the system uses only three acoustic range (sonar) sensor channels to perceive the environment. Simulation results as well as indoors and outdoors experiments are presented and discussed to illustrate the feasibility and robustness of autonomous navigation and/or safety enhancing driver's aid using the new fuzzy inferencing hardware system and some human-like reasoning schemes which may include as little as six elemental behaviors embodied in fourteen qualitative rules.

Pin, Francois G.↗

OCO-2 Satellite-imposed Constraints on Terrestrial Biospheric CO2 Flux over South Asia

The spatiotemporal variability of terrestrial biospheric carbon dioxide (CO2) flux over South Asia is poorly understood. The inverse model “top-down” CO2 flux estimates which rely on atmospheric CO2 observational data are impeded by sparse in situ measurements over this region. The Orbiting Carbon Observatory 2 (OCO-2) provides much needed global retrievals of column-average CO2 dry-air mole fraction (XCO2) with the finest spatial and temporal resolution and highest sensitivity to surface fluxes available to-date. This study conducted global inverse model simulations as part of the second OCO-2 Multi-model Intercomparison Project assimilating version 9 of the OCO-2 XCO2 retrievals in land nadir (LN) and land glint (LG) observing modes and global in situ (IS) measurements. The four-dimensional variational assimilation system with the GEOS-Chem global chemical transport model was used to estimate CO2 fluxes from 2015 to 2018. We then assessed the spatiotemporal variability of optimized CO2 Net ecosystem Exchange (NEE) fluxes aggregated over the South Asia region. The most robust result found by assimilating OCO-2 observations was the constraints imposed on the seasonal cycle of terrestrial biospheric fluxes over South Asia. The seasonality of South Asian NEE estimated by assimilating OCO-2 or global IS data showed a larger seasonal cycle compared to the current understanding of NEE in this region (represented by the prior NEE used in the model). The satellite-in situ joint inversion (IS + LN + LG) led to land flux seasonal amplitude (absolute magnitude of the difference between peak and trough of monthly mean values over a year) of 4.0 PgC yr-1, compared to the prior model (1.5 PgC yr-1). Moreover, OCO-2 data imposed a phase shift in the seasonal cycle, resulting in a large CO2 source in April and a large uptake in September. Most of the features in the seasonal cycle imposed by OCO-2 data are in agreement with previous “top-down” studies assimilating regional aircraft observations. Nevertheless, we recommend a closer examination of the novel features highlighted by the OCO-2 column data over South Asia in future studies by conducting regional inverse modelling with denser in situ and vertically-resolved regional observations along with satellite data.

OCO-2↗

Parallel Grid Manipulations in Earth Science Calculations

The National Aeronautics and Space Administration (NASA) Data Assimilation Office (DAO) at the Goddard Space Flight Center is moving its data assimilation system to massively parallel computing platforms. This parallel implementation of GEOS DAS will be used in the DAO's normal activities, which include reanalysis of data, and operational support for flight missions. Key components of GEOS DAS, including the gridpoint-based general circulation model and a data analysis system, are currently being parallelized. The parallelization of GEOS DAS is also one of the HPCC Grand Challenge Projects. The GEOS-DAS software employs several distinct grids. Some examples are: an observation grid- an unstructured grid of points at which observed or measured physical quantities from instruments or satellites are associated- a highly-structured latitude-longitude grid of points spanning the earth at given latitude-longitude coordinates at which prognostic quantities are determined, and a computational lat-lon grid in which the pole has been moved to a different location to avoid computational instabilities. Each of these grids has a different structure and number of constituent points. In spite of that, there are numerous interactions between the grids, e.g., values on one grid must be interpolated to another, or, in other cases, grids need to be redistributed on the underlying parallel platform. The DAO has designed a parallel integrated library for grid manipulations (PILGRIM) to support the needed grid interactions with maximum efficiency. It offers a flexible interface to generate new grids, define transformations between grids and apply them. Basic communication is currently MPI, however the interfaces defined here could conceivably be implemented with other message-passing libraries, e.g., Cray SHMEM, or with shared-memory constructs. The library is written in Fortran 90. First performance results indicate that even difficult problems, such as above-mentioned pole rotation- a sparse interpolation with little data locality between the physical lat-lon grid and a pole rotated computational grid- can be solved efficiently and at the GFlop/s rates needed to solve tomorrow's high resolution earth science models. In the subsequent presentation we will discuss the design and implementation of PILGRIM as well as a number of the problems it is required to solve. Some conclusions will be drawn about the potential performance of the overall earth science models on the supercomputer platforms foreseen for these problems.

Sawyer, W.↗

Arctic Sea Ice in Transformation: A Review of Recent Observed Changes and Impacts on Biology and Human Activity

Sea ice in the Arctic is one of the most rapidly changing components of the global climate system. Over the past few decades, summer areal extent has declined over 30, and all months show statistically significant declining trends. New satellite missions and techniques have greatly expanded information on sea ice thickness, but many uncertainties remain in the satellite data and long-term records are sparse. However, thickness observations and other satellite-derived data indicate a 40 decline in thickness, due in large part to the loss of thicker, older ice cover. The changes in sea ice are happening faster than models have projected. With continued increasing temperatures, summer ice-free conditions are likely sometime in the coming decades, though there are substantial uncertainties in the exact timing and high interannual variability will remain as sea ice decreases. The changes in Arctic sea ice are already having an impact on flora and fauna in the Arctic. Some species will face increasing challenges in the future, while new habitat will open up for other species. The changes are also affecting peoples living and working in the Arctic. Native communities are facing challenges to their traditional ways of life, while new opportunities open for shipping, fishing, and natural resource extraction.

Sea Ice↗

Remote Sensing-Driven Hydrodynamic Modeling in Data-Scarce Regions: Integrating ICESat-2, Sentinel-2, SWOT and Re-analysis Models for Coastal Monitoring

Hydrodynamic models in coastal and estuarine systems are typically constrained by sparse bathymetry, boundary, and validation data, especially in regions where field campaigns are costly or impractical. Here we develop and test a fully satellite-driven framework for hydrodynamic modeling in South Africa’s Langebaan Lagoon without using any local in situ measurements. Bathymetry is derived by training multispectral Sentinel-2 reflectance against ICESat-2 ATL24 photon-derived depths using an XGBoost model optimized with Bayesian search. The final satellite-derived bathymetry reproduces independent ATL24 points with RMSE = 0.45 m and R 2 = 0.97. This bathymetry was used in a depth-averaged Delft3D Flexible Mesh model driven at the open boundary by TPXO tidal harmonics and by ERA5 winds. We validate modeled water surface elevation against 16 SWOT low-rate (250 m, unsmoothed) passes in 2023. SWOT–model comparisons yield an overall RMSE of 0.11 m and R 2 = 0.61, with typical point differences <0.10 m (∼7% of the 1.5 m tidal range), and showed consistent spatial gradients in water level from the offshore boundary, through Saldanha Bay, and into the lagoon. At the offshore boundary, TPXO and SWOT sea surface heights agree closely (R 2 = 0.86). A simple phase adjustment of ∼26,min between TPXO and SWOT lowers the RMSE from 0.18,m to 0.11,m, showing that phase offset accounts for some of the discrepancy, with additional errors likely linked to non-tidal signals. Our results demonstrate that combining passive optical, photon-counting LiDAR, radar interferometry, and global tidal/atmospheric models enables robust, transferrable hydrodynamic modeling in data-scarce coastal systems, offering a cost-effective pathway for monitoring.

ICESat-2↗

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

Recent advancements in molecular Mass Spectrometry Imaging have sparked interest in integrating high spatial resolution methods with molecular mass-spectrometry-based chemical imaging. Fusion-based algorithms have proven effective in generating high spatial-resolution molecular mass spectra. However, a significant challenge stems from the differing physical mechanisms underlying image generation and data upsampling techniques, potentially leading to discrepancies in integrated information channels. Integrating physical constraints into data processing workflows is essential to tackle this issue. In this study, we propose an innovative approach that merges data from Fourier transform ion cyclotron resonance (FTICR), time-of-flight matrix-assisted laser desorption/ionization, and time-of-flight secondary ion mass spectrometry imaging techniques. By leveraging FT-ICR's unparalleled spectral resolution and ToF-SIMS's exceptional spatial resolution, we achieve submicron spatial resolution, enabling the observation of intact molecular species with remarkable spectral precision. Canonical correlation analysis is employed to incorporate physical constraints. Through sophisticated image processing and machine learning techniques, the results of this fusion hold significant promise for advancing our comprehension of complex systems and unveiling concealed molecular intricacies.

canonical correlation analysis↗