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NASA NTRS2015

Between a Map and a Data Rod

A Digital Divide has long stood between how NASA and other satellite-derived data are typically archived (time-step arrays or maps) and how hydrology and other point-time series oriented communities prefer to access those data. In essence, the desired method of data access is orthogonal to the way the data are archived. Our approach to bridging the Divide is part of a larger NASA-supported data rods project to enhance access to and use of NASA and other data by the Consortium of Universities for the Advancement of Hydrologic Science, Inc. (CUAHSI) Hydrologic Information System (HIS) and the larger hydrology community. Our main objective was to determine a way to reorganize data that is optimal for these communities. Two related objectives were to optimally reorganize data in a way that (1) is operational and fits in and leverages the existing Goddard Earth Sciences Data and Information Services Center (GES DISC) operational environment and (2) addresses the scaling up of data sets available as time series from those archived at the GES DISC to potentially include those from other Earth Observing System Data and Information System (EOSDIS) data archives. Through several prototype efforts and lessons learned, we arrived at a non-database solution that satisfied our objectivesconstraints. We describe, in this presentation, how we implemented the operational production of pre-generated data rods and, considering the tradeoffs between length of time series (or number of time steps), resources needed, and performance, how we implemented the operational production of on-the-fly (virtual) data rods. For the virtual data rods, we leveraged a number of existing resources, including the NASA Giovanni Cache and NetCDF Operators (NCO) and used data cubes processed in parallel. Our current benchmark performance for virtual generation of data rods is about a years worth of time series for hourly data (9,000 time steps) in 90 seconds. Our approach is a specific implementation of the general optimal strategy of reorganizing data to match the desired means of access. Results from our project have already significantly extended NASA data to the large and important hydrology user community that has been, heretofore, mostly unable to easily access and use NASA data.

machine learning↗
NASA NTRS2016

The IPAC Image Subtraction and Discovery Pipeline for the Intermediate Palomar Transient Factory

We describe the near real-time transient-source discovery engine for the intermediate Palomar Transient Factory (iPTF), currently in operations at the Infrared Processing and Analysis Center (IPAC), Caltech. We coin this system the IPAC/iPTF Discovery Engine (or IDE). We review the algorithms used for PSF-matching, image subtraction, detection, photometry, and machine-learned (ML) vetting of extracted transient candidates. We also review the performance of our ML classifier. For a limiting signal-to-noise ratio of 4 in relatively unconfused regions, bogus candidates from processing artifacts and imperfect image subtractions outnumber real transients by approximately equal to 10:1. This can be considerably higher for image data with inaccurate astrometric and/or PSF-matching solutions. Despite this occasionally high contamination rate, the ML classifier is able to identify real transients with an efficiency (or completeness) of approximately equal to 97% for a maximum tolerable false-positive rate of 1% when classifying raw candidates. All subtraction-image metrics, source features, ML probability-based real-bogus scores, contextual metadata from other surveys, and possible associations with known Solar System objects are stored in a relational database for retrieval by the various science working groups. We review our efforts in mitigating false-positives and our experience in optimizing the overall system in response to the multitude of science projects underway with iPTF.

methods: analytical – methods: data analysis –↗
NASA NTRS2024

Artificial Intelligence Medical Support for Long-Duration Space Missions

We envision an artificial intelligence (AI) based system that will provide support and recommendations to the crew medical officer (CMO) and ground flight surgeon during long-duration space missions. Such a system would be pretrained on the knowledgebase of clinical knowledge on Earth, minimizing the amount of Earth data that needs to be transferred into space. Then during deployment, the system would be constantly refined through active learning from diverse streams of data from sensors in the spacecraft, data collected daily from individual astronauts, and human-in-the-loop feedback from the crew. The model could be interrogated for predictions and recommendations on personalized crew health based on the overall status of the spacecraft, medicinal stores, and status of other crew members. Adaptation techniques would be used to incorporate spaceflight data that have very different distributions from the training data due to the extreme environment. Edge computing and the most advanced neuromorphic processing would enable computation in scenarios with low power and bandwidth, while dimensionality reduction would be employed to ensure that the input data streams from spaceflight are as small as possible. In order to realize this long-term vision, several hardware and software aspects need to be developed and assembled. First, models pretrained on Earth biomedical data would need to be evaluated for predictive accuracy, and the best one selected. That model would need to be adapted to learn from diverse, sparse, and inconsistently measured data streams, as well as human-in-the-loop feedback. A data integration, standardization, and dimensionality reduction methodology would need to be developed to handle all data types and feed them into the model. Once the software and data infrastructure is developed, it would need to be integrated with small footprint compute processors and tested in high-radiation, high-vibration, unregulated temperature situations. As a short-term goal, we recommend to focus on the development of the data and model software structure. Several large language models (LLM) already exist that have been trained on Earth biomedical and clinical knowledgebases, including BioMedLLM, Med-PaLM, SPOKE LLM, and Foresight. These models need to be evaluated for accuracy and the best one chosen for a proof-of-concept structure, while maintaining awareness of the accelerating AI field and incorporating any newly improved model architectures as needed. Then, we recommend to develop a database of synthetic data types to mimic the diverse data streams that are expected in a long-duration space mission. This should include environmental and microbial data from the spacecraft, non-invasive data from wearables and point-of-care devices employed by astronauts, and more invasive molecular and physiological monitoring of clinical and biomarker data from astronauts. The data standardization methodology should be developed, and these data streams used to refine the clinical LLM. Several scenarios should be developed that could plausibly come up in a long-duration space mission, and changes or aberrations introduced to the data at specific times to mimic these scenarios. Then, question and answer tasks should be designed to interrogate the model for predictions and recommendations, with acceptable answers already identified.

Artificial Intelligence↗
NASA NTRS2023

Development of Solar Energetic Particle Prediction Portal (SEP3)

Robust prediction of Solar Energetic Particle (SEP) events is among the key priorities of the space weather community. In the framework of NASA’s Early Stage Innovation Program, we develop the Solar Energetic Particle Prediction Portal (SEP3: https://sun.njit.edu/SEP3), which hosts web applications that allow the users to retrieve the database records. In particular, SEP3 lists the API examples to query each data source potentially important for the SEP prediction. The Portal has a search page for browsing the events from the most widely used catalogs (https://sun.njit.edu/SEP3/search.php) and a dedicated space to share the most recent achievements of the team. In addition, we have added a CDAW SEP catalog and a LASCO/SOHO CME catalog and introduced the possibility of displaying the properties of the connected events (parental solar flares and CMEs for SEPs) on the search page. The interactive widget has the capability to display GOES soft X-ray and proton flux time series from different satellites with the GOES flare records on top of them. The data portal has been used to evaluate the forecasts of the solar proton events based on the statistical properties of the GOES soft X-ray and proton fluxes and investigate machine-learning approaches to the SEP prediction.

SMD↗
NASA NTRS2024

Celebrating 10 Years of the Sub-Seasonal to Seasonal Prediction Project and Looking to the Future

The conference clearly demonstrated the increasing interest and growth of the scientific community working on the development and application of sub-seasonal to seasonal prediction since the start of the World Weather Research Programme (WWRP)/World Climate Research Programme (WCRP) sub-seasonal to seasonal (S2S) prediction project in 2013. The conference, which was held at the University of Reading (United Kingdom), was organized into three main themes as briefly summarized below, with eleven invited talks, 74 oral contributed talks, and 101 posters. The conference also included a two-hour breakout session, wherein eight groups discussed the current state and prospect for S2S prediction, and an early career researcher event. A summary of these discussions and recommendations is presented below. The conference web page (https://research.reading.ac.uk/s2s-summit2023/) is archived at the University of Reading. Introductory comments by representatives of the World Meteorological Organization (WMO) WWRP and WCRP emphasized the importance of the weather–climate linkage, targeted by S2S forecasts (from 2 weeks to a season ahead), addressing the challenges of creating “end-to-end” forecasts that encompass the entire climate-services chain from the prediction science and forecast, to the development and issuing of forecast products tailored to informing user-decisions. They also emphasized the efficacy of multi-model ensemble efforts and databases to foster collaborations internationally and between operational centres and academia. Although the WWRP/WCRP S2S project comes to an end in 2023, S2S prediction will remain an important focus for WWRP and WCRP. In WWRP, a new project called SAGE (Sub-seasonal to seasonal predictions for Agriculture and Environment) will start in 2024. Another important legacy of the S2S project will be the maintenance of the S2S database (Vitart et al. 2017) and the establishment of a WMO Lead Center for sub-seasonal prediction multi-model ensemble (LC-SSPMME) which will provide real-time multi-model S2S climate information. In two keynote presentations, Prof. Brian Hoskins (University of Reading) and Dr. Gilbert Brunet (Australian Bureau of Meteorology) discussed the potential of S2S predictability and the ongoing journey for understanding and improving these predictions. This conference was a sequel to the International Conference on Sub-seasonal to Seasonal Prediction (Robertson et al., 2014) which took place in College Park (Maryland, USA) in February 2014 to celebrate the start of the WWRP/WCRP S2S project, and to WCRP and WWRP conferences in Boulder, USA, in 2018 (Merryfield et al., 2020). A significant development compared to the previous S2S conferences was the large number of presentations on research to operation (R2O) and S2S applications and on the use of artificial intelligence and machine learning (AI/ML) methods for S2S prediction. Some of these methods provide empirical S2S forecasts which are competitive with state-of-the-art dynamical models. Other presentations demonstrated that AI/ML can provide alternative calibration of dynamical model outputs to traditional methods. Several talks and posters highlighted the increasing use of AI/ML, including deep learning, in S2S forecast post-processing and using AI to identify higher flow-dependent skill. Finally, some presentations demonstrated the value of AI/ML methods for a better understanding of S2S sources of predictability and attribution of extreme events.

S. J. Woolnough↗
NASA NTRS2022

Multi-Variate LSTM Prediction of Alaska Magnetometer Chain Utilizing a Coupled Model Approach

During periods of rapidly changing geomagnetic conditions electric fields form within the Earth’s surface and induce currents known as geomagnetically induced currents(GICs), which interact with unprotected electrical systems our society relies on. In this study, we train multi-variate Long-Short Term Memory neural networks to predict magnitude of north-south component of the geomagnetic field (|BN|) at multiple ground magnetometer stations across Alaska provided by the SuperMAG database with a future goal of predicting geomagnetic field disturbances. Each neural network is driven by solar wind and interplanetary magnetic field inputs from the NASA OMNI database spanning from 2000–2015 and is fine tuned for each station to maximize the effectiveness in predicting |BN|. The neural networks are then compared against multivariate linear regression models driven with the same inputs at each station using Heidke skill scores with thresholds at the 50, 75, 85, and 99 percentiles for |BN|. The neural network models show significant increases over the linear regression models for |BN| thresholds. We also calculate the Heidke skill scores for d|BN|/dt by deriving d|BN|/dt from |BN| predictions. However, neural network models do not show clear outperformance compared to the linear regression models. To retain the sign information and thus predict BN instead of |BN|, a secondary so-called polarity model is utilized. The polarity model is run in tandem with the neural networks predicting geomagnetic field in a coupled model approach and results in a high correlation between predicted and observed values for all stations. We find this model a promising starting point for a machine learned geomagnetic field model to be expanded upon through increased output time history and fast turnaround times.

Matthew Blandin↗
NASA NTRSDate not supplied

Algorithmic Classification of Raman Spectra Biosignatures: Improving Life Detection Confidence

“Agnostic” biosignatures – indicators of life (or the absence of life), independent of a particular biochemistry – are increasingly considered a high standard for life detection. The Ladder of Life Detection (2018) called for investigating how combinations of independent and different potential biosignatures affect confidence. To address this gap, statistical classification of elemental abundances, isotopic fractionation, and reflectance spectroscopy (VNIR) has been implemented. Raman spectroscopy, highly desirable due to its wide availability, has the potential to improve this predictive power. This work implemented biosignature classification algorithms on Raman data alone, in preparation for combination with the other data types. Raman spectroscopy data was collected from published databases and papers as part of a manually curated dataset of “indicative” and “non-indicative of life” samples. These currently include 61 non-indicative samples (meteorites, magnetite); 3 indicative living samples (bacteria); 20 indicative non-living samples (chalk, bone); and 12 indicative mixed (with non-indicative material) samples (soil, microbial mats). Laboratory work is ongoing to characterize additional samples, particularly a greater breadth of mixed systems. Spectra were interpolated, filtered with the Savitzsky-Golay filter, and de-noised. For a preliminary examination, agnostic features were manually extracted including mean intensity, number of peaks, and mean peak width. Different peak prominences and filtering polynomials were used to refine features. Classification algorithms were implemented: k-nearest neighbors (KNN), logistic regression (LR), linear support vector machines (SVM), random forest (RF), Gaussian naïve bayes (GNB). Lastly, Monte Carlo simulations on 1,000 50%-train-test-splits were used to validate classification performance and feature significance. The preliminary feature set achieved its highest AUC of 0.52 with LR, with no strongly discriminatory features. Work to improve feature extraction, such as through deep learning with back propagation, is planned. In future work, the Raman data will be combined with the other data types, and potentially new data types such as enantiomeric excess. This project was partially supported through the NASA Ames Project EXcellence (APEX) incubator program.

Astrobiology↗
NASA NTRS1992

An expert system for diagnosing environmentally induced spacecraft anomalies

A new rule-based, machine independent analytical tool was designed for diagnosing spacecraft anomalies using an expert system. Expert systems provide an effective method for saving knowledge, allow computers to sift through large amounts of data pinpointing significant parts, and most importantly, use heuristics in addition to algorithms, which allow approximate reasoning and inference and the ability to attack problems not rigidly defined. The knowledge base consists of over two-hundred (200) rules and provides links to historical and environmental databases. The environmental causes considered are bulk charging, single event upsets (SEU), surface charging, and total radiation dose. The system's driver translates forward chaining rules into a backward chaining sequence, prompting the user for information pertinent to the causes considered. The use of heuristics frees the user from searching through large amounts of irrelevant information and allows the user to input partial information (varying degrees of confidence in an answer) or 'unknown' to any question. The modularity of the expert system allows for easy updates and modifications. It not only provides scientists with needed risk analysis and confidence not found in algorithmic programs, but is also an effective learning tool, and the window implementation makes it very easy to use. The system currently runs on a Micro VAX II at Goddard Space Flight Center (GSFC). The inference engine used is NASA's C Language Integrated Production System (CLIPS).

Rolincik, Mark↗
NASA NTRSDate not supplied

Knowledge Discovery for Early Failure Assessment of Complex Engineered Systems Using Natural Language Processing

Emerging complex engineered systems may have unexpected safety issues due to novel operational environments, increasing autonomy, human-machine interaction, and other factors. To prevent failures in operation or testing that necessitate costly redesign, it is desirable to predict likely failure modes early in the design process. Text-based information about past engineering failures presents one possible solution by facilitating the retrieval of information that can inform new designs. However, identifying documents containing relevant information and extracting required information can be prohibitively time-consuming when implemented at scale. In this research, an automated natural language processing-based framework is proposed to discover relevant knowledge from documents containing failure-related design information. Documents containing usable information are filtered using sentiment analysis based on a custom lexicon specialized for engineering design and by filtering out documents containing only irrelevant topics. Next, from the identified usable documents, information relating to engineering failures, contributing factors that can be controlled at design time (“risk factors”), and recommended preventative actions are extracted. Semantic similarity is then used to group similar pieces of extracted information for improved generalizability. The proposed framework is applied to NASA’s Lessons Learned Information System (LLIS). The framework can be used to identify documents containing usable failure-related design information from other databases, extract relevant information from these documents, and generalize the acquired knowledge such that it can be applied to novel systems.

Sequoia R. Andrade↗
NASA NTRSDate not supplied

Evaluating Meteorological Dust Events and Machine-Learning Based Dust Identification in Geostationary Satellite Imagery

NASA scientists in the Short-term Prediction Research and Transition Center (SPoRT) developed a physically-based machine learning approach to identify dust in satellite imagery with a focus on night-time dust detection (Berndt et al. 201; DustTracker-AI). NASA/NOAA Geostationary Environmental Operational Satellite-16 (GOES-16) imagery was used for training and model inputs. The training, testing and validation data set consists of 28 events in the Southwest United States, capturing dust and null events in the region from 2018-2020.With 83 distinct images and millions of pixels a random forest model was trained and validated, correctly labeling 85% of dust pixels.For the first time, the model was run in near-real time production during the spring of 2022 and dust probability visualizations were made available to NOAA National Weather Service (NWS) forecasters to assess its utility for dust forecasting. Results indicated the model helped increase the confidence in the presence of dust and enabled dust tracking for a longer period of time into the night-time hours. Forecaster assessment and running the model in near real-time allowed for the team to determine the types of events missed, captured, and false alarms. To gain additional context on model performance,the SPoRT team sought to gather more detailed information on the training database(e.g., meteorological characteristics and drivers). The goal of this project was to identify the meteorological drivers for the dust events and create a database which synthesized information from observations, forecaster discussions, and analyses pertaining to the dust events to understand the types of events currently used to train the model. A more detailed meteorological synopsis was created for each dust event in the training, testing, and validation datasets. Following the completion of the database and documentation, the classification details revealed that 88% of the dust events were synoptically driven while mesoscale events were less prevalent in model datasets. Meteorological conditions found such as mixing layer depth and wind velocity had mean values of 645mb and 21kt respectively.With conditions of deep mixed layers and moderate to strong surface winds a mesoscale thunderstorm outflow event was considered and subsequently added to the model training data set to test the impact of additional mesoscale training data. The model was retrained and then qualitatively tested on a sample thunderstorm outflow case that the original model was unable to identify. Preliminary results showed potential that the addition of more mesoscale events included in the training data could help to better identify indistinct and localized dust events.

Connor Welch↗
NASA NTRSDate not supplied

Knowledge Discovery for Early Failure Assessment of Complex Engineered Systems Using Natural Language Processing

Emerging complex engineered systems may have unexpected safety issues due to novel operational environments, increasing autonomy, human-machine interaction, and other factors. To prevent failures in operation or testing that necessitate costly redesign, it is desirable to predict likely failure modes early in the design process. Information about past engineering failures in natural language format presents one possible solution by enabling the retrieval of information that can inform new designs. However, identifying documents containing usable information and extracting the required information can be prohibitively time-consuming when implemented at scale. In this research, an automated natural language processing (NLP) framework is proposed to discover relevant knowledge from documents containing failure-related design information. The framework is applied to NASA’s Lessons Learned Information System (LLIS),which is publicly available. Documents containing usable information are filtered using two different NLP-based models. Next, from the identified usable documents, a failure taxonomy is extracted using a partitioned hierarchical topic modeling approach. Partitions of the document describe different sections of the failure taxonomy – i.e., failure, cause of failure, and recommendations – as indicated by the structure of the original document. The extracted failure taxonomy can be leveraged in early design failure assessment methods. Moreover, the framework can be used to identify documents containing usable failure-related design information from other databases and extract relevant information from these documents.

Documentation and Information Science↗
NASA NTRSDate not supplied

Knowledge Discovery for Early Failure Assessment of Complex Engineered Systems Using Natural Language Processing

Emerging complex engineered systems may have unexpected safety issues due to novel operational environments, increasing autonomy, human-machine interaction, and other factors. To prevent failures in operation or testing that necessitate costly redesign, it is desirable to predict likely failure modes early in the design process. Information about past engineering failures in natural language format presents one possible solution by enabling the retrieval of information that can inform new designs. However, identifying documents containing usable information and extracting the required information can be prohibitively time-consuming when implemented at scale. In this research, an automated natural language processing (NLP) framework is proposed to discover relevant knowledge from documents containing failure-related design information. The framework is applied to NASA’s Lessons Learned Information System (LLIS),which is publicly available. Documents containing usable information are filtered using two different NLP-based models. Next, from the identified usable documents, a failure taxonomy is extracted using a partitioned hierarchical topic modeling approach. Partitions of the document describe different sections of the failure taxonomy – i.e., failure, cause of failure, and recommendations – as indicated by the structure of the original document. The extracted failure taxonomy can be leveraged in early design failure assessment methods. Moreover, the framework can be used to identify documents containing usable failure-related design information from other databases and extract relevant information from these documents.

Documentation and Information Science↗
NASA NTRSDate not supplied

Space Flown Rodent Liver RNA Sequencing Data for Machine Learning in Space Biology Research

High-throughput nucleic acid sequencing (DNA-seq, RNA-seq) has become widespread in biomedical research due to the growing availability and affordability of these assays. Data analysis has been accelerated in recent years by the adoption of artificial intelligence (AI) and machine learning (ML) techniques by biomedical researchers. In space biology research, RNAseq datasets from space-flown experimental samples are critical for characterizing the gene expression aberrations associated with exposure to spaceflight stressors. However, space biological experiments tend to be very low sample size, so identifying proper AI/ML algorithms for sequencing data analysis is an ongoing challenge since these algorithms typically require large sample size. The NASA Science Mission Directorate (SMD) has started the “Benchmark Initiative for AI/ML”, focused on creating datasets meant for three main applications: 1) scientific benchmarking, which finds the best algorithm for a specific problem; 2) application benchmarking, which measures algorithm performance against a set of parameters; and 3) system benchmarking, which evaluates performance of hardware and software architecture. These scientific benchmarks consist of an AI-ready dataset and a reference implementation on a specific scientific question. In this work, we focused on generating standardized datasets to allow the scientific community to benchmark AI/ML algorithms in the domain of space biology. We present here a standardized, AI-ready, publicly available benchmark dataset for space biology RNA-seq data as a collaboration between the NASA AI4LS (Artificial Intelligence for Life Sciences) working group. and NASA’s SMD. This dataset consists of space-flown and ground control mouse liver found in the NASA GeneLab omics database. However, to amplify the small sample number (n=112 samples) for ML purposes, we employ Gaussian noise and a generative adversarial network to extend this dataset to 6,000 synthetic samples, matching the original gene expression characteristics.

James Casaletto↗
NASA NTRSDate not supplied

Sampling Functions from Gaussian Processes and Structured Covariance Gaussian Networks

When learning aerodynamic models from data, it is critical to incorporate estimates of model uncertainty. This motivates the design of probabilistic aerodynamic databases which can be sampled to generate physically and statistically plausible aerodynamic models. In this talk we discuss how to sample deterministic functions from two different kinds of probabilistic models and demonstrate their use. First, Gaussian Process Regressors (GPRs) are a widely used probabilistic kernel-based model which can be thought of as Gaussian distributions over functions. GPRs are generally trained by maximizing the marginal likelihood of seeing the training data over the kernel parameter space. Sample functions are easily generated by drawing points from the Gaussian distribution at desired input points. However, when the points are not known ahead of time, the classical sampling approach is not possible since successive function samples will generate different function realizations. We present an approach for sampling consistent function evaluations from a GPR over multiple samples. Second, we describe a neural network architecture which learns a conditional Gaussian distribution by maximizing the marginal likelihood at each point in the input space. We then discuss and compare several options for generating sample functions which match this distribution. Finally, we demonstrate the use of these probabilistic aerodynamic models in an atmospheric reentry simulation.

Gaussian process regression↗
NASA NTRSDate not supplied

Open-source Numerical Modeling of Solidification Cracking Susceptibility: Application to Refractory Alloy Systems

Introduction. Alloys such as aluminum, nickel-base, and austenitic stainless steels are susceptible to solidification cracking during welding and 3D printing. Compositional optimization is one method used to effectively mitigate solidification cracking of those alloy systems. With the surge in hypersonic and in-space propulsion activities, refractory metals (Nb, Mo, Ta, W, and Re) and their alloy derivatives are increasing in importance due to their extreme high melting point and retention of high-temperature strength; however, their chemistry was most typically optimized to promote ductility during mechanical operations such as drawing and forming. Welding of such alloys has been a challenge due to a number of issues including solidification cracking, atmospheric contamination (O, C, and N), as well as a shift in ductile-to-brittle transition to higher temperature following grain growth induced by welding. Compositional optimization of refractory alloys for solidification cracking resistance in particular is desirable as their usage increases with the advent of advanced manufacturing methods such as 3D printing. This work evaluates the effect of compositional variation in refractory metal systems on the solidification cracking susceptibility with the goals of optimizing existing alloys and joining process techniques, and formulating new alloys with increased solidification cracking resistance. Experimental Procedures. A python code was developed in a Jupyter notebook environment (Michael and Sowards, 2023) to facilitate the calculation of crack susceptibility index proposed by Kou (2015). Composition is entered as a single point, or as a 1-D or 2-D array. The notebook calls pycalphad (Otis and Liu, 2017 and Bocklund et al, 2020) to calculate the evolution of fraction solid as a function of temperature (under either Scheil or equilibrium assumptions) and then evaluates steepness of the fraction solid curve near the terminal stage of solidification to predict solidification cracking resistance. Open source thermodynamic databases available at online repositories are used (van de Walle). The process is setup in an automated fashion to generate plots that show variation in solidification cracking susceptibility according to composition on 1-D line plots or 2-D contour plots. The Jupyter notebook and crack susceptibility algorithm was also integrated with a widely used commercial CALPHAD code for validation and alloy exploration. Results and Discussion. The crack susceptibility model was first validated against a series of refractory alloy compositions evaluated in past work which utilized a specialized Varestraint test built inside a vacuum chamber environment (Lessman and Gold, 1971). The alloys tested in the Varestraint apparatus included T-111 (Ta-8W-2Hf), ASTAR-811C (Ta-8W-1Re-0.7Hf-0.025C), FS-85 (Nb-27Ta-10W-1Zr), T-222 (Ta-9.6W-2.4Hf-0.01C), Ta-10W, B-66 (Nb-5Mo-5V-1Zr), and SCb-291 (Nb-10W-10Ta). The initial test of the model showed a strong correlation with empirical Varestraint data, i.e., a Spearman rank correlation between model predictions and hot cracking measurements was observed to be greater than 0.8. Following the validation, a set of refractory metal binary mixtures was investigated to evaluate sensitivity of Nb, Mo, W, and Ta to C, N, and O content. A series of plots were produced that suggest ppmw ranges of C, N, and O where solidification cracking increases significantly and reaches a maximum. Also comparative ranking of each primary refractory metal to each interstitial was produced. For example C produces greater cracking response in Mo whereas O produces greater cracking response in Ta and Nb. Such compositional values have utility in setting limits on pickup of these interstitial elements during welding and printing rather than using a one-size-fits-all approach. Furthermore, the results have use in determining additive powder recycling requirements, which is especially pertinent for refractory metal powders due to their high cost compared to conventional alloys. Another application created thousands of hypothetical alloys within the nominal specified composition range of two widely used refractory alloys C103 (Nb-10Hf-1Ti) and TZM (Mo-0.5Ti-0.1Zr). The cracking index was calculated for the alloys and results were fed into machine learning regression techniques including Multiple Linear Regression, Ridge Regression, and Lasso Regression to determine relative potency each alloying element had on computed solidification cracking index. A series of linear equations were produced that relate composition of C103 and TZM to solidification cracking index. The crack susceptibility of C103 for example is described by an equation of the form: cracking index ~ O + 0.667*C + 0.635*N + 0.00037*Ta – 0.0008*Hf (in wt.%) From that equation, it is clear that O has strong propensity to induce solidification cracking. Interestingly, Hf is shown to reduce calculated cracking response. Finally, realizing the potential of this method to discover new refractory alloy formulations across the period table that have low solidification cracking sensitivity, the code was applied to new untested alloy systems including W-Zr-C, W-Ta-C, and others. Conclusions. In summary, an open source numerical method has been developed using Python code to calculate Kou’s crack susceptibility index. The method was applied to refractory metals which are inherently difficult to study from a weldability testing standpoint since inert shielding gas is not sufficient and welding is typically done in vacuum, especially in light of findings presented here where oxygen has profound influence on solidification cracking. This work revealed the effect of compositional variations on a series of refractory metals and showed the framework defined here will be useful in 1) the development of new alloys that have improved weldability and 3D printability, 2) placing compositional limits on existing alloys, and 3) ensuring adequate controls of manufacturing processes such as 3D printing where powder reuse is critical. Keywords. pycalphad; Python; refractory metals; solidification cracking. References. B. Bocklund et. al. (2020) http://doi.org/10.5281/zenodo.3630657. S. Kou. (2015) https://doi.org/10.1016/j.actamat.2015.01.034. G.G. Lessmann and R.E. Gold. Welding Journal, issue 1, pp. 1-s – 8-s (1971). F.N. Michael and J.W. Sowards. NASA/TM-20230002218 (2023). R. Otis and Z.-K. Liu. (2017) http://doi.org/10.5334/jors.140. A. Van de Wallle et. al. (2018) https://doi.org/10.1016/j.calphad.2018.04.003.

pycalphad↗