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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.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Genetic Network Inference: From Co-Expression Clustering to Reverse Engineering

Advances in molecular biological, analytical, and computational technologies are enabling us to systematically investigate the complex molecular processes underlying biological systems. In particular, using high-throughput gene expression assays, we are able to measure the output of the gene regulatory network. We aim here to review datamining and modeling approaches for conceptualizing and unraveling the functional relationships implicit in these datasets. Clustering of co-expression profiles allows us to infer shared regulatory inputs and functional pathways. We discuss various aspects of clustering, ranging from distance measures to clustering algorithms and multiple-duster memberships. More advanced analysis aims to infer causal connections between genes directly, i.e., who is regulating whom and how. We discuss several approaches to the problem of reverse engineering of genetic networks, from discrete Boolean networks, to continuous linear and non-linear models. We conclude that the combination of predictive modeling with systematic experimental verification will be required to gain a deeper insight into living organisms, therapeutic targeting, and bioengineering.

Dhaeseleer, Patrik↗
DOE OSTI2024

A Causal Approach to Model Validation and Calibration

This poster presents a novel method for validation and verification that focuses on identifying causal relationships between data elements, moving beyond traditional statistical and machine learning approaches. These methods employ causal discovery techniques to reveal the underlying mechanisms of data generation. The research utilizes structural causal models and directed acyclic graphs to depict causal relationships. This approach assists in achieving alignment between simulation models and reality.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Causal machine learning uncovers conditions for convective intensification driven by organic and sulfate aerosols

Aerosols are often hypothesized to invigorate deep convective clouds (DCCs), but observational evidence remains limited and inconclusive. Clarifying this hypothesis is critical for regions vulnerable to thunderstorms and flooding, particularly highly polluted coastal cities. Leveraging a novel causal discovery–inference pipeline and high-resolution observations near Houston, TX, we identify multiple causal pathways among aerosols (mostly organic and sulfate), DCCs, and meteorological factors. However, a direct causal link from aerosols to DCCs is found to be uncommon, occurring in less than 35% of analyzed scenarios, and is characterized by strong conditionality and nonlinearity. When aerosol impacts on DCCs do occur, they can be substantial, enhancing DCC core heights by approximately 1.7 km, with 92% of this effect concentrated in warmer-phase cloud regions. Notably, the presence of sea breezes and the inclusion of all measured aerosol particles each enhance DCCs in over 95% of aerosol-sensitive cases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Pushing the frontiers in climate modelling and analysis with machine learning

Climate modelling and analysis are facing new demands to enhance projections and climate information. Here, in this study, we argue that now is the time to push the frontiers of machine learning beyond state-of-the-art approaches, not only by developing machine-learning-based Earth system models with greater fidelity, but also by providing new capabilities through emulators for extreme event projections with large ensembles, enhanced detection and attribution methods for extreme events, and advanced climate model analysis and benchmarking. Utilizing this potential requires key machine learning challenges to be addressed, in particular generalization, uncertainty quantification, explainable artificial intelligence and causality. This interdisciplinary effort requires bringing together machine learning and climate scientists, while also leveraging the private sector, to accelerate progress towards actionable climate science.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Causal discovery from data assisted by large language models

Knowledge-driven discovery of novel materials necessitates the development of causal models for property emergence. While in the classical physical paradigm, the causal relationships are deduced based on physical principles or via experiment, the rapid accumulation of observational data necessitates learning causal relationships between dissimilar aspects of material structure and functionalities based on observations. For this, it is essential to integrate experimental data with prior domain knowledge. Here, we demonstrate this approach by combining high-resolution scanning transmission electron microscopy data with insights derived from large language models (LLMs). By applying ChatGPT to domain-specific literature, such as arXiv papers on ferroelectrics, and combining the obtained information with data-driven causal discovery, we construct adjacency matrices for directed acyclic graphs that map the causal relationships between structural, chemical, and polarization degrees of freedom in Sm-doped BiFeO 3 . This approach enables us to hypothesize how synthesis conditions influence material properties and guides experimental validation. Furthermore, the ultimate objective of this work is to develop a unified framework that integrates LLM-driven literature analysis with data-driven discovery, facilitating the precise engineering of ferroelectric materials by establishing clear connections between synthesis conditions and their resulting material properties.

Causal inference↗
DOE OSTI2025

Mapping causal patterns in crystalline solids

The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO 3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored using scanning transmission electron microscopy. Localized properties, including polarization, lattice parameter, and chemical composition, are parameterized from atomic-scale imaging, and their causal relationships are reconstructed using a linear non-Gaussian acyclic model. This approach is further extended to explore the spatial variability of the causal coupling using the sliding window transform method, which revealed that new causal relationships emerged at both the expected locations, such as domain walls and interfaces, and at additional regions forming clusters in the vicinity of the walls or spatially distributed features. While the exact physical origins of these relationships are unclear, they likely represent nanophase-separated regions in the morphotropic phase boundaries. Overall, we posit that an in-depth understanding of complex disordered materials away from thermodynamic equilibrium necessitates understanding not only the generative processes that can lead to observed microscopic states but also the causal links between multiple interacting subsystems.

Causal inference↗
NASA NTRS2004

InvestigationOrganizer: The Development and Testing of a Web-based Tool to Support Mishap Investigations

InvestigationOrganizer (IO) is a collaborative web-based system designed to support the conduct of mishap investigations. IO provides a common repository for a wide range of mishap related information, and allows investigators to make explicit, shared, and meaningful links between evidence, causal models, findings and recommendations. It integrates the functionality of a database, a common document repository, a semantic knowledge network, a rule-based inference engine, and causal modeling and visualization. Thus far, IO has been used to support four mishap investigations within NASA, ranging from a small property damage case to the loss of the Space Shuttle Columbia. This paper describes how the functionality of IO supports mishap investigations and the lessons learned from the experience of supporting two of the NASA mishap investigations: the Columbia Accident Investigation and the CONTOUR Loss Investigation.

Carvalho, Robert F.↗
DOE OSTI2025

Causal Directions Matter: How Environmental Factors Drive Convective Cloud Detrainment Heights

This study investigates how environmental factors influence the level of maximum detrainment (LMD) in deep convective clouds. Through a novel application of the Linear Non‐Gaussian Acyclic Model (LiNGAM), we discover causal structures between environmental variables and LMD, observed at six tropical sites operated by the Atmospheric Radiation Measurement (ARM) user facility. LiNGAM effectively identifies causal directions among variables of interest, revealing robust relationships such as those among the lifting condensation level (LCL), level of free convection (LFC), and convective inhibition (CIN), aligning with prior knowledge. Relative humidity is shown to directly influence LMD; however, this relationship exhibits strong nonlinearity and becomes difficult to detect when the contrast between oceanic and continental environments is excluded from the analysis. This study highlights the importance of establishing causal relationships before performing statistical inference.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2001

Robust Strategy for Rocket Engine Health Monitoring

Monitoring the health of rocket engine systems is essentially a two-phase process. The acquisition phase involves sensing physical conditions at selected locations, converting physical inputs to electrical signals, conditioning the signals as appropriate to establish scale or filter interference, and recording results in a form that is easy to interpret. The inference phase involves analysis of results from the acquisition phase, comparison of analysis results to established health measures, and assessment of health indications. A variety of analytical tools may be employed in the inference phase of health monitoring. These tools can be separated into three broad categories: statistical, rule based, and model based. Statistical methods can provide excellent comparative measures of engine operating health. They require well-characterized data from an ensemble of "typical" engines, or "golden" data from a specific test assumed to define the operating norm in order to establish reliable comparative measures. Statistical methods are generally suitable for real-time health monitoring because they do not deal with the physical complexities of engine operation. The utility of statistical methods in rocket engine health monitoring is hindered by practical limits on the quantity and quality of available data. This is due to the difficulty and high cost of data acquisition, the limited number of available test engines, and the problem of simulating flight conditions in ground test facilities. In addition, statistical methods incur a penalty for disregarding flow complexity and are therefore limited in their ability to define performance shift causality. Rule based methods infer the health state of the engine system based on comparison of individual measurements or combinations of measurements with defined health norms or rules. This does not mean that rule based methods are necessarily simple. Although binary yes-no health assessment can sometimes be established by relatively simple rules, the causality assignment needed for refined health monitoring often requires an exceptionally complex rule base involving complicated logical maps. Structuring the rule system to be clear and unambiguous can be difficult, and the expert input required to maintain a large logic network and associated rule base can be prohibitive.

Santi, L. Michael↗
NASA NTRS2002

Phenomena Associated with EIT Waves

We discuss phenomena associated with 'EIT Wave' transients. These phenomena include coronal mass ejections, flares, EUV/SXR dimmings, chromospheric waves, Moreton waves, solar energetic particle events, energetic electron events, and radio signatures. Although the occurrence of many phenomena correlate with the appearance of EIT waves, it is difficult to infer which associations are causal. The presentation will include a discussion of correlation surveys of these phenomena.

Thompson, B. J.↗
DOE OSTI2025

Space‐Time Causal Discovery in Earth System Science: A Local Stencil Learning Approach

Causal discovery tools enable scientists to infer meaningful relationships from observational data, spurring advances in fields as diverse as biology, economics, and climate science. Despite these successes, the application of causal discovery to space-time systems remains immensely challenging due to the high-dimensional nature of the data. For example, in climate sciences, modern observational temperature records over the past few decades regularly measure thousands of locations around the globe. To address these challenges, we introduce Causal Space-Time Stencil Learning (CaStLe), a novel meta-algorithm for discovering causal structures in complex space-time systems. CaStLe leverages regularities in local space-time dependencies to learn governing global dynamics. This local perspective eliminates spurious confounding and drastically reduces sample complexity, making space-time causal discovery practical and effective. For causal discovery, CaStLe flexibly accepts any appropriately adapted time series causal discovery algorithm to recover local causal structures. These advances enable causal discovery of geophysical phenomena that were previously unapproachable, including non-periodic, transient phenomena such as volcanic eruption plumes. Regularities in local space-time dependencies are transformed into informative spatial replicates, which actually improve CaStLe's performance when applied to ever-larger spatial grids. We successfully apply CaStLe to discover the atmospheric dynamics governing the climate response to the 1991 Mount Pinatubo volcanic eruption. We provide validation experiments to demonstrate the effectiveness of CaStLe over existing causal-discovery frameworks on a range of geophysics-inspired benchmarks while identifying the method's limitations and domains where its assumptions may not hold.

Nichol, J. Jake [Univ. of New Mexico, Albuquerque,↗
NASA NTRS1989

Log-Based Recovery in Asynchronous Distributed Systems

A log-based mechanism is described for restoring consistent states to replicated data objects after failures. Preserving a causal form of consistency based on the notion of virtual time is focused upon in this report. Causal consistency has been shown to apply to a variety of applications, including distributed simulation, task decomposition, and mail delivery systems. Several mechanisms have been proposed for implementing causally consistent recovery, most notably those of Strom and Yemini, and Johnson and Zwaenepoel. The mechanism proposed here differs from these in two major respects. First, a roll-forward style of recovery is implemented. A functioning process is never required to roll-back its state in order to achieve consistency with a recovering process. Second, the mechanism does not require any explicit information about the causal dependencies between updates. Instead, all necessary dependency information is inferred from the orders in which updates are logged by the object servers. This basic recovery technique appears to be applicable to forms of consistency other than causal consistency. In particular, it is shown how the recovery technique can be modified to support an atomic form of consistency (grouping consistency). By combining grouping consistency with casual consistency, it may even be possible to implement serializable consistency within this mechanism.

Kane, Kenneth Paul↗
DOE OSTI2026

Overview of the Nephele Perturbed Parameter Ensemble for Aerosol‐Cloud Interactions in E3SMv3

Aerosol-cloud interactions (aci) are the leading source of uncertainty in inferring climate sensitivity from the historical record. Earth system models (ESMs) struggle to represent aci because the processes responsible for these phenomena occur at much finer time and space scales than can be resolved by any ESM. Observational constraints provide key benchmarks to test ESMs, but cannot be used alone to fully understand aci processes except in very specific cases where causality is controlled; some degree of modeling is required to infer aci and estimate radiative forcing. Here, we generate and characterize a perturbed parameter ensemble (PPE) in version 3 of the Energy Exascale ESM (E3SMv3). We perturb 25 parameters that govern aci processes over 250 members and integrate the model over present-day and preindustrial aerosol emissions. We find that the process representation in E3SMv3 is flexible and can generate global-mean effective radiative forcings due to aci (ERFaci) ranging from −3.0 to +0.9 W m −2 . The positive ERFaci values simulated by a portion of the PPE are implausible and result from parameter combinations that produce unrealistic top-of-atmosphere energy fluxes. While global-mean cloud droplet number concentration always increases in response to anthropogenic aerosol, cloud liquid water path can both increase and decrease, suggesting that precipitation suppression is not the only aerosol-cloud adjustment represented by E3SMv3. Analysis of which processes control liquid cloud adjustment in the PPE points toward stratiform precipitation processes and aerosol activation, which is consistent with many previous ESMs, as well as the new two-moment convective cloud microphysics in E3SMv3.

Nugent, Jacqueline M. [Univ. of Wyoming, Laramie, ↗
NASA NTRS2020

Untangling causality in midlatitude aerosol–cloud adjustments

Aerosol–cloud interactions represent the leading uncertainty in our ability to infer climate sensitivity from the observational record. The forcing from changes in cloud albedo driven by increases in cloud droplet number (Nd) (the first indirect effect) is confidently negative and has narrowed its probable range in the last decade, but the sign and strength of forcing associated with changes in cloud macrophysics in response to aerosol (aerosol–cloud adjustments) remain uncertain. This uncertainty reflects our inability to accurately quantify variability not associated with a causal link flowing from the cloud microphysical state to the cloud macrophysical state. Once variability associated with meteorology has been removed, covariance between the liquid water path (LWP) averaged across cloudy and clear regions (here characterizing the macrophysical state) and Nd (characterizing the microphysical) is the sum of two causal pathways linking Nd to LWP: Nd altering LWP (adjustments) and precipitation scavenging aerosol and thus depleting Nd. Only the former term is relevant to constraining adjustments, but disentangling these terms in observations is challenging. We hypothesize that the diversity of constraints on aerosol–cloud adjustments in the literature may be partly due to not explicitly characterizing covariance flowing from cloud to aerosol and aerosol to cloud. Here, we restrict our analysis to the regime of extratropical clouds outside of low-pressure centers associated with cyclonic activity. Observations from MAC-LWP (Multisensor Advanced Climatology of Liquid Water Path) and MODIS are compared to simulations in the Met Office Unified Model (UM) GA7.1 (the atmosphere model of HadGEM3-GC3.1 and UKESM1). The meteorological predictors of LWP are found to be similar between the model and observations. There is also agreement with previous literature on cloud-controlling factors finding that increasing stability, moisture, and sensible heat flux enhance LWP, while increasing subsidence and sea surface temperature decrease it. A simulation where cloud microphysics are insensitive to changes in Nd is used to characterize covariance between Nd and LWP that is induced by factors other than aerosol–cloud adjustments. By removing variability associated with meteorology and scavenging, we infer the sensitivity of LWP to changes in Nd. Application of this technique to UM GA7.1 simulations reproduces the true model adjustment strength. Observational constraints developed using simulated covariability not induced by adjustments and observed covariability between Nd and LWP predict a 25 %–30 % overestimate by the UM GA7.1 in LWP change and a 30 %–35 % overestimate in associated radiative forcing.

Daniel T. McCoy↗
NASA NTRS1983

EBIC investigation of hydrogenation of crystal defects in EFG solar silicon ribbons

Changes in the contrast and resolution of defect structures in 205 Ohm-cm EFG polysilicon ribbon subjected to annealing and hydrogenation treatments were observed in a JEOL 733 Superprobe scanning electron microscope, using electron beam induced current (EBIC) collected at an A1 Schottky barrier. The Schottky barrier was formed by evaporation of A1 onto the cleaned and polished surface of the ribbon material. Measurement of beam energy, beam current, and the current induced in the Schottky diode enabled observations to be quantified. Exposure to hydrogen plasma increased charge collection efficiency. However, no simple causal relationship between the hydrogenation and charge collection efficiency could be inferred, because the collection efficiency also displayed an unexpected thermal dependence. Good quality intermediate-magnification (1000X-5400X) EBIC micrographs of several specific defect structures were obtained. Comparison of grown-in and stress-induced dislocations after annealing in vacuum at 500 C revealed that stress-induced dislocations are hydrogenated to a much greater degree than grown-in dislocations. The theoretical approximations used to predict EBIC contrast and resolution may not be entirely adequate to describe them under high beam energy and low beam current conditions.

Sullivan, T.↗
NASA NTRS1981

Inference of precipitation through thermal infrared measurements of soil moisture

The physics of microwave radiative transfer is well understood so that causal models can be assembled which relate the observed brightness temperatures to assumed distributions of hydrometeors (both liquid and ice), non-precipitating clouds, water vapor oxygen, and surface conditions. Present models assume a Marshall Palmer size distribution of liquid hydrometers from the surface to the freezing level (near the 0 C isotherm) and a variable thickness of frozen hydrometeors above that with various reasonable distribution of the other relevant constituents. The validity of such models is discussed. All uncertainties in the rain rate retrieval algorithms can be expressed in terms of specific model uncertainties which can be addressed through appropriate measurements. Those factors which must be known to achieve umambiguous results can be identified so that rainfall measuring algorithms can be developed and improved. The emissivity of the underlying surface significantly affects the contrast that may be measured between areas covered by rain and those which are dry. Sensing strategies for measuring rain over the ocean and rain over land are reviewed.

Wetzel, P. J.↗
NASA NTRS2007

Systems Modeling to Implement Integrated System Health Management Capability

ISHM capability includes: detection of anomalies, diagnosis of causes of anomalies, prediction of future anomalies, and user interfaces that enable integrated awareness (past, present, and future) by users. This is achieved by focused management of data, information and knowledge (DIaK) that will likely be distributed across networks. Management of DIaK implies storage, sharing (timely availability), maintaining, evolving, and processing. Processing of DIaK encapsulates strategies, methodologies, algorithms, etc. focused on achieving high ISHM Functional Capability Level (FCL). High FCL means a high degree of success in detecting anomalies, diagnosing causes, predicting future anomalies, and enabling health integrated awareness by the user. A model that enables ISHM capability, and hence, DIaK management, is denominated the ISHM Model of the System (IMS). We describe aspects of the IMS that focus on processing of DIaK. Strategies, methodologies, and algorithms require proper context. We describe an approach to define and use contexts, implementation in an object-oriented software environment (G2), and validation using actual test data from a methane thruster test program at NASA SSC. Context is linked to existence of relationships among elements of a system. For example, the context to use a strategy to detect leak is to identify closed subsystems (e.g. bounded by closed valves and by tanks) that include pressure sensors, and check if the pressure is changing. We call these subsystems Pressurizable Subsystems. If pressure changes are detected, then all members of the closed subsystem become suspect of leakage. In this case, the context is defined by identifying a subsystem that is suitable for applying a strategy. Contexts are defined in many ways. Often, a context is defined by relationships of function (e.g. liquid flow, maintaining pressure, etc.), form (e.g. part of the same component, connected to other components, etc.), or space (e.g. physically close, touching the same common element, etc.). The context might be defined dynamically (if conditions for the context appear and disappear dynamically) or statically. Although this approach is akin to case-based reasoning, we are implementing it using a software environment that embodies tools to define and manage relationships (of any nature) among objects in a very intuitive manner. Context for higher level inferences (that use detected anomalies or events), primarily for diagnosis and prognosis, are related to causal relationships. This is useful to develop root-cause analysis trees showing an event linked to its possible causes and effects. The innovation pertaining to RCA trees encompasses use of previously defined subsystems as well as individual elements in the tree. This approach allows more powerful implementations of RCA capability in object-oriented environments. For example, if a pressurizable subsystem is leaking, its root-cause representation within an RCA tree will show that the cause is that all elements of that subsystem are suspect of leak. Such a tree would apply to all instances of leak-events detected and all elements in all pressurizable subsystems in the system. Example subsystems in our environment to build IMS include: Pressurizable Subsystem, Fluid-Fill Subsystem, Flow-Thru-Valve Subsystem, and Fluid Supply Subsystem. The software environment for IMS is designed to potentially allow definition of any relationship suitable to create a context to achieve ISHM capability.

Figueroa, Jorge F.↗