Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “interpretable models”

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

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

At least 1,045 records · Page 58

X-Ray Variability and the Secondary Star

We discuss the history of X-ray observations of the 11 Car system, concentrating on the periodic variability discovered in the 1990s. We discuss the interpretation of these variations, concentrating on a model of the system as a "collidingwind" binary. This interpretation allows the physical and orbital parameters of eta Car and its companion star to be constrained.

Corcoran, M. F.↗

Off-Nominal Event Analysis in Autonomous Flights Based on Explainable Artificial Intelligence

A key objective in the Urban Air Mobility program at NASA is to intelligently perform an autonomous flight in a complex urban environment under all weather conditions with guaranteed levels of safety. To accomplish this, the mission manager (central decision-making module) of the vehicle needs to make informed decisions between various Courses of Action (CoA) based on its' interpretation of the inputs it receives. If an off-nominal event is detected either based on the amalgamation of sensor data or the use of machine learning models, the mission manager may greatly benefit from identification of the input features that most likely contributed to that specific event. Such an understanding is usually not possible to obtain from the classical machine learning models (deep learning) due to the inherent black box like structure. However, this understanding is achieved using eXplainable Artificial Intelligence (XAI) models that provide a human interpretable rationale for the predictions made. This work presents a game theory inspired XAI model for the off-nominal assessment of autonomous flights. The proposed approach based on Shapley values is model agnostic, provides local as well as global explanation and satisfies the four axioms (efficiency, symmetry, dummy, additivity) to achieve fair contribution. The versatility of the approach is first demonstrated on a simulated dataset in which the significance of each input to flight phase prediction is clearly identified. Subsequently, data from simulated flight trajectories are fed into the model which reveal the input features that most likely contributed to a rotor failure event thereby empowering the mission manager to take the appropriate CoA.

autonomy↗

Off-Nominal Event Analysis in Autonomous Flights Based on Explainable Artificial Intelligence

A key objective in the Urban Air Mobility program at NASA is to intelligently perform an autonomous flight in a complex urban environment under all weather conditions with guaranteed levels of safety. To accomplish this, the mission manager (central decision-making module) of the vehicle needs to make informed decisions between various Courses of Action (CoA) based on its' interpretation of the inputs it receives. If an off-nominal event is detected either based on the amalgamation of sensor data or the use of machine learning models, the mission manager may greatly benefit from identification of the input features that most likely contributed to that specific event. Such an understanding is usually not possible to obtain from the classical machine learning models (deep learning) due to the inherent black box like structure. However, this understanding is achieved using eXplainable Artificial Intelligence (XAI) models that provide a human interpretable rationale for the predictions made. This work presents a game theory inspired XAI model for the off-nominal assessment of autonomous flights. The proposed approach based on Shapley values is model agnostic, provides local as well as global explanation and satisfies the four axioms (efficiency, symmetry, dummy, additivity) to achieve fair contribution. The versatility of the approach is first demonstrated on a simulated dataset in which the significance of each input to flight phase prediction is clearly identified. Subsequently, data from simulated flight trajectories are fed into the model which reveal the input features that most likely contributed to a rotor failure event thereby empowering the mission manager to take the appropriate CoA.

autonomy↗

Composition of Magma and Characteristics of the Hydrothermal System of Newberry Volcano, Oregon, From Magnetotellurics

Abstract We use 3‐D magnetotellurics to improve our understanding of the structure and magma composition of Newberry Volcano in Oregon, USA. Newberry is a broad shield volcano with a summit caldera and strongly bimodal magmatism. Newberry has long been the subject of geothermal exploration research, but that work has focused on the volcano's west flank, leaving the caldera largely unstudied with geophysical methods until recently. Our modeling shows a relatively resistive magma reservoir of approximately 50 Ωm. Our work builds upon recent seismic models and petrological analysis to interpret Newberry's magma reservoir as a dry rhyolite with 8–11% partial melt, which matches the seismically determined melt fraction. Finding the conditions within the magma reservoir that allow the resistivity and seismic analysis to come to the same melt fraction helps us narrow down the magma temperature and composition. From this we infer a dry rhyolitic magma at 850 °C. We also image a prominent vertical conductive anomaly along the south rim below the vent that produced the most recent eruption. The anomaly extends from magma reservoir depths of 3 km to 1 km below the surface where it disperses into the caldera fill. We interpret this as the main conduit for magmatic fluids to reach Newberry's hydrothermal system. Other features that our model shows include higher conductivity along the caldera rim and a resistive older pluton on the west flank.

Bowles‐Martinez, E.↗

The Stop-and-Go Mechanism: Towards an Integrated Approach to Model Seismicity, Outgassing, Deformation, and Thermal Unrest at Active Volcanoes

Connecting the geophysical and geochemical signals recorded at and above the surface of volcanoes with source mechanisms is fundamental to understand transitions from quiescence to eruption, and to integrate the behavior of volcanoes with their regional seismotectonic and hydrological context. Some of these signals include shallow volcanic tremor, a long-lasting (minutes-to-years) ground vibration detected in volcanic areas during unrest; volcanic outgassing, which shows intriguing periodicities over multiple scales, as revealed by space-borne instruments and by ground-based, high-frequency (~1 Hz), sampling methods; inflation and deflation of volcanic edifices, commonly associated with subsurface volume changes; and large-scale (from a few to tens of km2), low-temperature, thermal anomalies, a newly-discovered signal that has been observed to emerge on volcanic flanks from months-to-years prior to gas- and magma-driven eruptions. Traditionally, these geophysical and geochemical signals have been modelled independently, which limits our interpretation of subsurface processes and thus our assessment of unrest. In this work, we show through lumped-parameter models, numerical simulations, and preliminary laboratory experiments that many of the signals recorded around volcanoes can be integrated into a common “stop-and-go” mechanism. In particular, we found that they can arise spontaneously when taking into account the feedbacks between the temporary accumulation of gas and/or magma in the crust (“stop”), and the diffusive transfer of gas and heat towards the surface (“go”). For example, we find that the “stop-and-go” mechanism can explain: (i) the emergence of monochromatic, broadband, and harmonic tremor; (ii) the periodic components commonly observed in volcanic outgassing time series; (iii) the link between large-scale thermal anomalies and shallow hydrothermal systems; (iv) the reported time lags between large-scale thermal anomalies and deformation; and (v) the breathing of potentially destructive volcanic calderas. The “stop-and-go” mechanism provides a consistent and realistic framework to link multiple geophysical and geochemical signals with the processes leading to volcanic unrest and eruption.

volcanoes↗

Making Corgis Important for Honeycomb Classification: Adversarial Attacks on Concept-based Explainability Tools

Methods for model explainability have become increasingly critical for testing the fairness and soundness of deep learning. Concept-based interpretability techniques, which use a small set of human-interpretable concept exemplars in order to measure the influence of a concept on a model's internal representation of input, are an important thread in this line of research. In this work we show that these explainability methods can suffer the same vulnerability to adversarial attacks as the models they are meant to analyze. We demonstrate this phenomenon on two well-known concept-based interpretability methods: TCAV and faceted feature visualization. We show that by leveraging the geometry of the problem and carefully perturbing the examples of the concept that is being investigated, we can radically change the output of the interpretability method. The attacks that we propose can either induce positive interpretations (polka dots are an important concept for a model when classifying zebras) or negative interpretations (stripes are not an important factor in identifying images of a zebra). Our work highlights the fact that in safety-critical applications, there is need for security around not only the machine learning pipeline but also the model interpretation process.

Brown, Davis R.↗

Hydrogen adsorption and transport in clay-rich geomaterials: Implications for large-volume underground hydrogen storage

Depleted oil and gas reservoirs, characterized by impermeable clay-rich caprocks, are promising sites for large-scale underground hydrogen storage (UHS), which is a key strategy to support hydrogen-based energy systems. However, experimental data on hydrogen storage in clay-rich geomaterials remain scarce. In this work, we experimentally investigated hydrogen adsorption and migration in clay-rich geomaterials in the presence of nitrogen and water under controlled temperatures. Experimental observations showed that hydrogen was adsorbed in dry illite. A dual-porosity transport model was developed to interpret hydrogen transport between large-pore and small-pore domains in illite. The large-pore domain is the space between clay particles (i.e., inter-particle space), whereas the small-pore domain is the nanoscale pore space between clay mineral layers (i.e., inter-layer or intra-particle space). In contrast, nitrogen showed no evidence of adsorption in dry illite because it cannot move into the small-pore domain due to the relatively large kinetic diameter, referred to as the molecular sieving effect. Here, we found that 0.7–1.3 nm is the length scale regulating this molecular sieving effect, matching the interlayer spacing in illite, suggesting that nitrogen is a promising cushion gas in UHS, which aims to maintain adequate pressure in the reservoir for economic operations. In wetted illite, hydrogen was not adsorbed into the interlayer space due to the occupation of adsorption sites by interlayer water, which highlights the critical role of the clay hydration state in controlling hydrogen-clay interactions. Additionally, hydrogen adsorption experiments on crushed shale indicated that the shale surface possessed adsorption sites more favorable for hydrogen than for nitrogen. Through these experiments, we provide new insights into hydrogen storage mechanisms in clay-rich geomaterials and offer valuable laboratory data for evaluating the performance of large-scale UHS systems.

Adsorption↗

Generative models on phase space

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be concentrated on a submanifold of the data embedding space. For high-energy physics data, consisting of collections of relativistic energy-momentum 4-vectors, this submanifold can enforce extremely strong physically-motivated priors, such as energy and momentum conservation. If these constraints are learned only approximately, rather than exactly, this can inhibit the interpretability and reliability of such generative models. To remedy this deficiency, we introduce generative models which are, by construction, confined at every step of their sampling trajectory to the manifold of massless N-particle Lorentz-invariant phase space in the center-of-momentum frame. In the case of diffusion models, the "pure noise" forward process endpoint corresponds to the uniform distribution on phase space, which provides a clear starting point from which to identify how correlations among the particles emerge during the reverse (de-noising) process. We demonstrate that our models are able to learn both few-particle and many-particle distributions with various singularity structures, paving the way for future interpretability studies using generative models trained on simulated jet data.

Bogorad, Zachary [Fermilab]↗

Protein identification from electron cryomicroscopy maps by automated model building and side-chain matching

Using single-particle electron cryo-microscopy (cryo-EM), it is possible to obtain multiple reconstructions showing the 3D structures of proteins imaged as a mixture. Here, it is shown that automatic map interpretation based on such reconstructions can be used to create atomic models of proteins as well as to match the proteins to the correct sequences and thereby to identify them. This procedure was tested using two proteins previously identified from a mixture at resolutions of 3.2 Å, as well as using 91 deposited maps with resolutions between 2 and 4.5 Å. The approach is found to be highly effective for maps obtained at resolutions of 3.5 Å and better, and to have some utility at resolutions as low as 4 Å.

59 BASIC BIOLOGICAL SCIENCES↗

Magnetic field frustration of the metal-insulator transition in V 2 O 3

Despite decades of efforts, the origin of metal-insulator transitions (MITs) in strongly correlated materials remains one of the main long-standing problems in condensed-matter physics. An archetypal example is V 2 O 3 , which undergoes simultaneous electronic, structural, and magnetic phase transitions. This remarkable feature highlights the many degrees of freedom at play in this material. In this work, acting solely on the magnetic degree of freedom, we reveal an anomalous feature in the electronic transport of V 2 O 3 : On cooling, the magnetoresistance changes from positive to negative values well above the MIT temperature, and shows divergent behavior at the transition. In this work, the effects are attributed to the magnetic field quenching antiferromagnetic fluctuations above the Néel temperature $T_N$, and preventing long-range antiferromagnetic ordering below $T_N$. In both cases, suppressing the antiferromagnetic ordering prevents the opening of the incipient electronic gap. This interpretation is supported by Hubbard model calculations which fully reproduce the experimental behavior. Our study sheds light on this classic problem providing a clear and physical interpretation of the nature of the metal-insulator transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling and Testing of the Viscoelastic Properties of a Graphite Nanoplatelet/Epoxy Composite

In order to facilitate the interpretation of experimental data, a micromechanical modeling procedure is developed to predict the viscoelastic properties of a graphite nanoplatelet/epoxy composite as a function of volume fraction and nanoplatelet diameter. The predicted storage and loss moduli for the composite are compared to measured values from the same material using three test methods; Dynamical Mechanical Analysis, nanoindentation, and quasi-static tensile tests. In most cases, the model and experiments indicate that for increasing volume fractions of nanoplatelets, both the storage and loss moduli increase. Also, the results indicate that for nanoplatelet sizes above 15 microns, nanoindentation is capable of measuring properties of individual constituents of a composite system. Comparison of the predicted values to the measured data helps illustrate the relative similarities and differences between the bulk and local measurement techniques.

Odegard, Gregory M.↗

Interpreting and Stabilizing Machine-Learning Parametrizations of Convection

Neural networks are a promising technique for parameterizing subgrid-scale physics (e.g., moist atmospheric convection) in coarse-resolution climate models, but their lack of interpretability and reliability prevents widespread adoption. For instance, it is not fully understood why neural network parameterizations often cause dramatic instability when coupled to atmospheric fluid dynamics. This paper introduces tools for interpreting their behavior that are customized to the parameterization task. First, we assess the nonlinear sensitivity of a neural network to lower-tropospheric stability and the midtropospheric moisture, two widely studied controls of moist convection. Second, we couple the linearized response functions of these neural networks to simplified gravity wave dynamics, and analytically diagnose the corresponding phase speeds, growth rates, wavelengths, and spatial structures. To demonstrate their versatility, these techniques are tested on two sets of neural networks, one trained with a super-parameterized version of the Community Atmosphere Model (SPCAM) and the second with a near-global cloud-resolving model (GCRM). Additionally, even though the SPCAM simulation has a warmer climate than the cloud-resolving model, both neural networks predict stronger heating/drying in moist and unstable environments, which is consistent with observations. Moreover, the spectral analysis can predict that instability occurs when GCMs are coupled to networks that support gravity waves that are unstable and have phase speeds larger than 5 m s -1 . In contrast, standing unstable modes do not cause catastrophic instability. Using these tools, differences between the SPCAM-trained versus GCRM-trained neural networks are analyzed, and strategies to incrementally improve both of their coupled online performance unveiled.

54 ENVIRONMENTAL SCIENCES↗

Universal Stripe Symmetry of Short-Range Charge Density Waves in Cuprate Superconductors

The omnipresence of charge density waves (CDWs) across almost all cuprate families underpins a common organizing principle. However, a longstanding debate of whether its spatial symmetry is stripe or checkerboard remains unresolved. While CDWs in lanthanum- and yttrium-based cuprates possess a stripe symmetry, distinguishing these two scenarios is challenging for the short-range CDW in bismuth-based cuprates. Here, high-resolution resonant inelastic x-ray scattering is employed to uncover the spatial symmetry of the CDW in Bi 2 Sr 2-x La x CuO 6 + δ . Across a wide range of doping and temperature, anisotropic CDW peaks with elliptical shapes are found in reciprocal space. Based on Fourier transform analysis of real-space models, the results are interpreted as evidence of unidirectional charge stripes, hosted by mutually 90°-rotated anisotropic domains. This work paves the way for a unified symmetry and microscopic description of CDW order in cuprates.

36 MATERIALS SCIENCE↗

Search for new phenomena in final states with photons, jets and missing transverse momentum in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for new phenomena has been performed in final states with at least one isolated high-momentum photon, jets and missing transverse momentum in proton– proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV. The data, collected by the ATLAS experiment at the CERN LHC, correspond to an integrated luminosity of 139 fb –1 . The experimental results are interpreted in a supersymmetric model in which pair-produced gluinos decay into neutralinos, which in turn decay into a gravitino, at least one photon, and jets. No significant deviations from the predictions of the Standard Model are observed. Upper limits are set on the visible cross section due to physics beyond the Standard Model, and lower limits are set on the masses of the gluinos and neutralinos, all at 95% confidence level. Visible cross sections greater than 0.022 fb are excluded and pair-produced gluinos with masses up to 2200 GeV are excluded for most of the NLSP masses investigated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for long-lived particles using out-of-time trackless jets in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for long-lived particles decaying in the outer regions of the CMS silicon tracker or in the calorimeters is presented. The search is based on a data sample of proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded with the CMS detector at the LHC in 2016–2018, corresponding to an integrated luminosity of 138 fb −1 . A novel technique, using nearly trackless and out-of-time jet information combined in a deep neural network discriminator, is employed to identify decays of long-lived particles. The results are interpreted in a simplified model of chargino-neutralino production, where the neutralino is the next-to-lightest supersymmetric particle, is long-lived, and decays to a gravitino and either a Higgs or Z boson. This search is most sensitive to neutralino proper decay lengths of approximately 0.5 m, for which masses up to 1.18 TeV are excluded at 95% confidence level. The current search is the best result to date in the mass range from the kinematic limit imposed by the Higgs boson mass up to 1.8 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Local quenches, bulk entanglement entropy and a unitary Page curve

Quantum corrections to the entanglement entropy of matter fields interacting with dynamical gravity have proven to be very important in the study of the black hole information problem. We consider a one-particle excited state of a massive scalar field infalling in a pure AdS 3 geometry and compute these corrections for bulk subregions anchored on the AdS boundary. In the dual CFT 2 , the state is given by the insertion of a local primary operator and its evolution thereafter. We calculate the area and bulk entanglement entropy corrections at order $$ \mathcal{O}\left({N}^0\right), $$ O N 0 , both in AdS and its CFT dual. The two calculations match, thus providing a non-trivial check of the FLM formula in a dynamical setting. Further, we observe that the bulk entanglement entropy follows a Page curve. We explain the precise sense in which our setup can be interpreted as a simple model of black hole evaporation and comment on the implications for the information problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Towards replacement of animal tests with in vitro assays: a gene expression biomarker predicts in vitro and in vivo estrogen receptor activity

High-throughput transcriptomics (HTTr) has the potential to support efforts to reduce or replace some animal tests. In past studies, we described a computational approach utilizing a gene expression biomarker consisting of 46 genes to predict estrogen receptor (ER) activity after chemical exposure in ER-positive human breast cancer cells including the MCF-7 cell line. We hypothesized that the biomarker model could identify ER activities of chemicals examined by Endocrine Disruptor Screening Program (EDSP) Tier 1 screening assays in which transcript profiles of the same chemicals were examined in MCF-7 cells. For the 62 chemicals examined including 5 chemicals examined in this study using RNA-Seq, the ER biomarker model accuracy was 1) 97% for in vitro reference chemicals, 2) 76–85% for guideline uterotrophic assays, and 3) 87–88% for guideline and nonguideline uterotrophic assays. For the same chemicals, these accuracies were similar or slightly better than those of the ToxCast ER model based on 18 in vitro assays. The performance of the ER biomarker model indicates that HTTr interpreted using the ER biomarker correctly identifies active and inactive ER reference chemicals. Finally, as part of the HTTr screening program the approach could rapidly identify chemicals with potential ER bioactivities for additional screening and testing.

60 APPLIED LIFE SCIENCES↗

A cavitation and dynamic void growth model for a general class of strain-softening amorphous materials

In this work, we derive a homogenized framework for cavitation and dynamic void growth in a general class of strain-softening materials with particular emphasis on amorphous materials. Analytic solutions are derived by considering an assemblage of spherical shells subject to dynamic hydrostatic tensile pressure. The isochoric response of the matrix material is captured by a free volume theory based amorphous viscoplasticity model. The framework accounts for the coupled rate-dependent, strain-softening behavior typically exhibited in amorphous materials. Validation of the homogenized theory is carried out against numerous direct numerical simulations with excellent agreement. Furthermore, we find that a reduction in cavitation strength and significant acceleration of dynamic void growth rates is induced as a consequence of strain-softening in the amorphous matrix material. Lastly, the model is utilized to interpret some non-intuitive experimental observations of amorphous materials subject to shock compression and subsequent spall failure.

36 MATERIALS SCIENCE↗