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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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At least 73 records · Page 4

Knowledge-guided learning with curated prior genetic biomarkers for robust model interpretation

Abstract Motivation Knowledge-guided learning offers effective and robust model training strategies in data-scarce settings by incorporating established domain knowledge, thereby enhancing generalization, robustness, and interpretability. By contrast, conventional deep learning approaches rely purely on data-driven learning, which can limit robust model interpretability, particularly in high-dimensional settings with limited size samples. In computational biology, knowledge-guided learning has primarily leveraged network- and structural-based knowledge, leading to biologically interpretable representations and enhanced predictive performance compared to conventional approaches. However, curated biomarkers, one of the most accessible forms of biological knowledge, remain largely unexplored within knowledge-guided paradigms. Results In this study, we propose a model-agnostic training paradigm, Biomarker-driven Explainable Prior-guided Learning (BioExPL), that can be applied to any neural networks that incorporates curated prior knowledge. BioExPL enforces neural networks to reflect curated biomarker priors in their latent representations through a novel knowledge-alignment loss. BioExPL consistently demonstrated significantly improved predictive performance and enhanced model interpretability with minimized computational overhead in simulation studies and intensive experiments on multiple cancer datasets. BioExPL not only integrates prior curated knowledge into the model but also accurately identifies unknown associated signals additionally. BioExPL is model-agnostic and domain-independent, enabling its integration into diverse neural network architectures. Availability and implementation The open-source is publicly available at: https://github.com/datax-lab/BioExPL.

Baek, Beomsu [Department of Computer Science, Univ↗

Detection in fixed and random noise in foveal and parafoveal vision explained by template learning

Foveal and parafoveal contrast detection thresholds for Gabor and checkerboard targets were measured in white noise by means of a two-interval forced-choice paradigm. Two white-noise conditions were used: fixed and twin. In the fixed noise condition a single noise sample was presented in both intervals of all the trials. In the twin noise condition the same noise sample was used in the two intervals of a trial, but a new sample was generated for each trial. Fixed noise conditions usually resulted in lower thresholds than twin noise. Template learning models are presented that attribute this advantage of fixed over twin noise either to fixed memory templates' reducing uncertainty by incorporation of the noise or to the introduction, by the learning process itself, of more variability in the twin noise condition. Quantitative predictions of the template learning process show that it contributes to the accelerating nonlinear increase in performance with signal amplitude at low signal-to-noise ratios.

NASA Center ARC↗

Reinforcement Learning in a Nonstationary Environment: The El Farol Problem

This paper examines the performance of simple learning rules in a complex adaptive system based on a coordination problem modeled on the El Farol problem. The key features of the El Farol problem are that it typically involves a medium number of agents and that agents' pay-off functions have a discontinuous response to increased congestion. First we consider a single adaptive agent facing a stationary environment. We demonstrate that the simple learning rules proposed by Roth and Er'ev can be extremely sensitive to small changes in the initial conditions and that events early in a simulation can affect the performance of the rule over a relatively long time horizon. In contrast, a reinforcement learning rule based on standard practice in the computer science literature converges rapidly and robustly. The situation is reversed when multiple adaptive agents interact: the RE algorithms often converge rapidly to a stable average aggregate attendance despite the slow and erratic behavior of individual learners, while the CS based learners frequently over-attend in the early and intermediate terms. The symmetric mixed strategy equilibria is unstable: all three learning rules ultimately tend towards pure strategies or stabilize in the medium term at non-equilibrium probabilities of attendance. The brittleness of the algorithms in different contexts emphasize the importance of thorough and thoughtful examination of simulation-based results.

Bell, Ann Maria↗

Open Data and Deep Semantic Segmentation for Automated Extraction of Building Footprints

Advances in machine learning and computer vision, combined with increased access to unstructured data (e.g., images and text), have created an opportunity for automated extraction of building characteristics, cost-effectively, and at scale. These characteristics are relevant to a variety of urban and energy applications, yet are time consuming and costly to acquire with today’s manual methods. Several recent research studies have shown that in comparison to more traditional methods that are based on features engineering approach, an end-to-end learning approach based on deep learning algorithms significantly improved the accuracy of automatic building footprint extraction from remote sensing images. However, these studies used limited benchmark datasets that have been carefully curated and labeled. How the accuracy of these deep learning-based approach holds when using less curated training data has not received enough attention. The aim of this work is to leverage the openly available data to automatically generate a larger training dataset with more variability in term of regions and type of cities, which can be used to build more accurate deep learning models. In contrast to most benchmark datasets, the gathered data have not been manually curated. Thus, the training dataset is not perfectly clean in terms of remote sensing images exactly matching the ground truth building’s foot-print. A workflow that includes data pre-processing, deep learning semantic segmentation modeling, and results post-processing is introduced and applied to a dataset that include remote sensing images from 15 cities and five counties from various region of the USA, which include 8,607,677 buildings. The accuracy of the proposed approach was measured on an out of sample testing dataset corresponding to 364,000 buildings from three USA cities. The results favorably compared to those obtained from Microsoft’s recently released US building footprint dataset.

97 MATHEMATICS AND COMPUTING↗

The Single-Volume Scatter Camera

The multi-institution Single-Volume Scatter Camera (SVSC) collaboration led by Sandia National Laboratories (SNL) is developing a compact, high-efficiency double-scatter neutron imaging system. Kinematic emission imaging of fission-energy neutrons can be used to detect, locate, and spatially characterize special nuclear material. Neutron-scatter cameras, analogous to Compton imagers for gamma ray detection, have a wide field of view, good event-by-event angular resolution, and spectral sensitivity. Existing systems, however, suffer from large size and/or poor efficiency. We are developing high-efficiency scatter cameras with small form factors by detecting both neutron scatters in a compact active volume. This effort requires development and characterization of individual system components, namely fast organic scintillators, photodetectors, electronics, and reconstruction algorithms. In this presentation, we will focus on characterization measurements of several SVSC candidate scintillators. The SVSC collaboration is investigating two system concepts: the monolithic design in which isotropically emitted photons are detected on the sides of the volume, and the optically segmented design in which scintillation light is channeled along scintillator bars to segmented photodetector readout. For each of these approaches, we will describe the construction and performance of prototype systems. We will conclude by summarizing lessons learned, comparing and contrasting the two system designs, and outlining plans for the next iteration of prototype design and construction.

Manfredi, Juan↗

Parametric matrix models

We present a general class of machine learning algorithms called parametric matrix models. In contrast with most existing machine learning models that imitate the biology of neurons, parametric matrix models use matrix equations that emulate physical systems. Similar to how physics problems are usually solved, parametric matrix models learn the governing equations that lead to the desired outputs. Parametric matrix models can be efficiently trained from empirical data, and the equations may use algebraic, differential, or integral relations. While originally designed for scientific computing, we prove that parametric matrix models are universal function approximators that can be applied to general machine learning problems. After introducing the underlying theory, we apply parametric matrix models to a series of different challenges that show their performance for a wide range of problems. For all the challenges tested here, parametric matrix models produce accurate results within an efficient and interpretable computational framework that allows for input feature extrapolation.

Computational science↗

The Costs of Knowledge

Acquiring knowledge-genuinely learning something new-requires the consent and commitment of the person you're trying to learn from. In contrast to information, which can usually be effectively transmitted in a document or diagram, knowledge comes from explaining, clarifying, questioning, and sometimes actually working together. Getting this kind of attention and commitment often involves some form of negotiation, since even the most generous person's time and energy are limited. Few experts sit around waiting to share their knowledge with strangers or casual acquaintances. In reasonably collaborative enterprises- I think NASA is one-this sort of negotiation isn't too onerous. People want to help each other and share what they know, so the "cost" of acquiring knowledge is relatively low. In many organizations (and many communities and countries), however, there are considerable costs associated with this activity, and many situations in which negotiations fail. The greatest knowledge cost is in and adopting knowledge to one's own use. Sometimes this means formally organizing what one learns in writing. Sometimes it means just taking time to reflect on someone else's thoughts and experiences-thinking about knowledge that is not exactly what you need but can lead you to develop ideas that will be useful. A long, discursive conversation, with all the back-and-forth that defines conversation, can be a mechanism of knowledge exchange. I have seen many participants at NASA APPEL Masters Forums talking, reflecting, and thinking-adapting what they are hearing to their own needs. Knowledge transfer is not a simple proposition. An enormous amount of information flows through the world every day, but knowledge is local, contextual, and "stickyn-that is, it takes real effort to move it from one place to another. There is no way around this. To really learn a subject, you have to work at it, you have to pay your "knowledge dues." So while, thanks to advances in technology, almost infinite amounts of information are instantly available, it still takes the same amount of time and work to learn French as it did in the year 1800-or to master physics or philosophy.

Prusak, Laurence↗

Land surface dynamics and meteorological forcings modulate land surface temperature characteristics

This study examines the effect of land cover, vegetation health, climatic forcings, elevation heat loads, and terrain characteristics (LVCET) on land surface temperature (LST) distribution over West Africa (WA). We employ fourteen machine-learning models, which preserve nonlinear relationships, to downscale LST and other predictands while preserving the geographical variability of WA. Our results showed that the random forest model performs best in downscaling predictands. This is important for the sub-region since it has limited access to mainframes to power multiplex machine-learning algorithms. In contrast to the northern regions, the southern regions consistently exhibit healthy vegetation. Also, areas with unhealthy vegetation coincide with hot LST clusters. The positive Normalized Difference Vegetation Index (NDVI) trends in the Sahel underscore rainfall recovery and subsequent Sahelian greening. The southwesterly winds cause the upwelling of cold waters, lowering LST in southern WA and highlighting the cooling influence of water bodies on LST. Identifying regions with elevated LST is paramount for prioritizing greening initiatives, and our study underscores the importance of considering LVCET factors in urban planning. Topographic slope-facing angles, heat loads, and diurnal anisotropic heat all contribute to variations in LST, emphasizing the need for a holistic approach when designing resilient and sustainable landscapes.

54 ENVIRONMENTAL SCIENCES↗

Deep Learning for Spectroscopic X-ray Nano-Imaging Denoising

Synchrotron transmission X-ray microscopy with absorption near edge structure (TXM-XANES) is a powerful tool for investigating the structure and composition of materials at nano- to meso-scales. It is, however, often challenged by high levels of noise that obscure critical details at the single-pixel level. To address this issue, a deep learning-based algorithm is developed for suppressing the image noise, grounded in self-supervised learning principles. In contrast to traditional image denoising methods, this approach successfully enhances the visibility of fine details while significantly reducing the noise in the X-ray images. Through this advancement, the potential of the approach for improving the accuracy and interpretability of the TXM-XANES data is demonstrated, thereby enabling more precise detection of nanoscale phenomena such as inhomogeneous cation redox and metal segregation in battery cathode materials. This technique offers an effective new avenue for harnessing the full potential of synchrotron TXM-XANES imaging, paving the way for a range of exciting new studies in materials science and beyond.

36 MATERIALS SCIENCE↗

Event generation with normalizing flows

We present a novel integrator based on normalizing flows which can be used to improve the unweighting efficiency of Monte-Carlo event generators for collider physics simulations. In contrast to machine learning approaches based on surrogate models, our method generates the correct result even if the underlying neural networks are not optimally trained. We exemplify the new strategy using the example of Drell-Yan type processes at the LHC, both at leading and partially at next-to-leading order QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Design of quantum optical experiments with logic artificial intelligence

Logic Artificial Intelligence (AI) is a subfield of AI where variables can take two defined arguments, True or False, and are arranged in clauses that follow the rules of formal logic. Several problems that span from physical systems to mathematical conjectures can be encoded into these clauses and solved by checking their satisfiability (SAT). In contrast to machine learning approaches where the results can be approximations or local minima, Logic AI delivers formal and mathematically exact solutions to those problems. In this work, we propose the use of logic AI for the design of optical quantum experiments. We show how to map into a SAT problem the experimental preparation of an arbitrary quantum state and propose a logic-based algorithm, called Klaus, to find an interpretable representation of the photonic setup that generates it. We compare the performance of Klaus with the state-of-the-art algorithm for this purpose based on continuous optimization. We also combine both logic and numeric strategies to find that the use of logic AI significantly improves the resolution of this problem, paving the path to developing more formal-based approaches in the context of quantum physics experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Integration of Online Parameter Identification and Neural Network for In-Flight Adaptive Control

An indirect adaptive system has been constructed for robust control of an aircraft with uncertain aerodynamic characteristics. This system consists of a multilayer perceptron pre-trained neural network, online stability and control derivative identification, a dynamic cell structure online learning neural network, and a model following control system based on the stochastic optimal feedforward and feedback technique. The pre-trained neural network and model following control system have been flight-tested, but the online parameter identification and online learning neural network are new additions used for in-flight adaptation of the control system model. A description of the modification and integration of these two stand-alone software packages into the complete system in preparation for initial flight tests is presented. Open-loop results using both simulation and flight data, as well as closed-loop performance of the complete system in a nonlinear, six-degree-of-freedom, flight validated simulation, are analyzed. Results show that this online learning system, in contrast to the nonlearning system, has the ability to adapt to changes in aerodynamic characteristics in a real-time, closed-loop, piloted simulation, resulting in improved flying qualities.

Hageman, Jacob↗

Integration of Online Parameter Identification and Neural Network for In-Flight Adaptive Control

An indirect adaptive system has been constructed for robust control of an aircraft with uncertain aerodynamic characteristics. This system consists of a multilayer perceptron pre-trained neural network, online stability and control derivative identification, a dynamic cell structure online learning neural network, and a model following control system based on the stochastic optimal feedforward and feedback technique. The pre-trained neural network and model following control system have been flight-tested, but the online parameter identification and online learning neural network are new additions used for in-flight adaptation of the control system model. A description of the modification and integration of these two stand-alone software packages into the complete system in preparation for initial flight tests is presented. Open-loop results using both simulation and flight data, as well as closed-loop performance of the complete system in a nonlinear, six-degree-of-freedom, flight validated simulation, are analyzed. Results show that this online learning system, in contrast to the nonlearning system, has the ability to adapt to changes in aerodynamic characteristics in a real-time, closed-loop, piloted simulation, resulting in improved flying qualities.

Hageman, Jacob J.↗

Graph Metric Learning Quantifies Morphological Differences between Two Genotypes of Shoot Apical Meristem Cells in Arabidopsis

We present a method for learning “spectrally descriptive” edge weights for graphs. We generalize a previously known distance measure on graphs (Graph Diffusion Distance), thereby allowing it to be tuned to minimize an arbitrary loss function. Because all steps involved in calculating this modified GDD are differentiable, we demonstrate that it is possible for a small neural network model to learn edge weights which minimize loss. We apply this method to discriminate between graphs constructed from shoot apical meristem images of two genotypes of Arabidopsis thaliana specimens: wild-type and trm678 triple mutants with cell division phenotype. Training edge weights and kernel parameters with contrastive loss produces a learned distance metric with large margins between these graph categories. We demonstrate this by showing improved performance of a simple k-nearest-neighbors classifier on the learned distance matrix. We also demonstrate a further application of this method to biological image analysis. Once trained, we use our model to compute the distance between the biological graphs and a set of graphs output by a cell division simulator. Comparing simulated cell division graphs to biological ones allows us to identify simulation parameter regimes which characterize mutant vs. wild-type Arabidopsis cells. We find that trm678 mutant cells are characterized by increased randomness of division planes and decreased ability to avoid previous vertices between cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

Low-energy Electron-track Imaging for a Liquid Argon Time-projection-chamber Telescope Concept Using Probabilistic Deep Learning

The GammaTPC is an MeV-scale single-phase liquid argon time-projection-chamber gamma-ray telescope concept with a novel dual-scale pixel-based charge-readout system. It promises to enable a significant improvement in sensitivity to MeV-scale gamma rays over previous telescopes. The novel pixel-based charge readout allows for imaging of the tracks of electrons scattered by Compton interactions of incident gamma rays. The two primary contributors to the accuracy of a Compton telescope in reconstructing an incident gamma-ray’s original direction are its energy and position resolution. In this work, we focus on using deep learning to optimize the reconstruction of the initial position and direction of electrons scattered in Compton interactions, including using probabilistic models to estimate predictive uncertainty. We show that the deep-learning models are able to predict locations of Compton scatters of MeV-scale gamma rays from simulated 500 μm pixel-based data to better than 1 mm rms error and are sensitive to the initial direction of the scattered electron. We compare and contrast different deep-learning uncertainty estimation algorithms for reconstruction applications. Additionally, we show that event-by-event estimates of the uncertainty of the locations of the Compton scatters can be used to select those events that were reconstructed most accurately, leading to improvement in locating the origin of gamma-ray sources on the sky.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Graph-based Reversible Evaluation and Tangents Library

GRETL is a C++ library for evaluation, re-evaluation and algorithmic differentiation of functional operations on an arbitrary computational graph with limited memory usage. Similar to popular machine learning frameworks in Python, like PyTorch and JAX, it tracks and stores both operations and output data as functions are evaluated. Once this composition of functions is built up, the entire chain of operations can be back propagated to compute sensitivities of the final result with respect to any number of inputs. In contrast to most machine learning applications, memory usage becomes the bottleneck for back propagation in many physics applications, especially for time-dependent PDEs. Dynamic check pointing becomes essential. An important distinguishing feature of GRETL is its ability to limit the maximum memory usage by automatically dynamic checkpointing the data output for each graph operation (see Wang, Moin, Iaccarino, 2009). During backpropagation, parts of the graph that are no longer in memory are automatically re-evaluated from upstream checkpointed states as needed for derivative sensitivity calculations (or more precisely, for vector-Jacobian products). GRETL is particularly beneficial for applications, such as coupled multi-physics, where deriving adjoint-based sensitivities and managing checkpoint memory across modules becomes onerous. Cases which can be readily handled by the GRETL library include: different time-integration algorithms per physics (e.g., coupled predictor-corrector algorithms, IMEX, etc.), sub-cycling, asynchronous integrators, state dependent timestep sizes, iterative solvers and coupling algorithms, controller algorithms, and more.

Tupek, MichaelR [Lawrence Livermore National Labor↗

The CHARIS High-Contrast Integral-Field Spectrograph

One of the leading direct Imaging techniques, particularly in ground-based imaging, uses a coronagraphic system and integral field spectrograph (IFS). The Coronagraphic High Angular Resolution Imaging Spectrograph (CHARIS) is an IFS that has been built for the Subaru telescope. CHARIS has been delivered to the observatory and now sits behind the Subaru Coronagraphic Extreme Adaptive Optics (SCExAO) system. CHARIS has 'high' and 'low' resolution operating modes. The "high-resolution" mode is used to characterize targets in J, H, and K bands at ~R70. The "low-resolution" prism is meant for discovery and spans J+H+K bands (1.15-2.37 microns) with a spectral resolution of ~R18. This discovery mode has already proven better than 15-sigma detections of HR8799c,d,e when combining ADI+SDI. Using SDI alone, planets c and d have been detected in a single 24 second image. The CHARIS team is optimizing instrument performance and refining ADI+SDI recombination to maximize our contrast detection limit. In addition to the new observing modes, CHARIS has demonstrated a design with high robustness to spectral crosstalk. CHARIS is in the final stages of commissioning, with the instrument open for science observations beginning February 2017. Here we review the science case, design, on-sky performance, engineering observations of exoplanet and disk targets, and specific lessons learned for extremely high contrast imagers. Key design aspects that will be demonstrated are crosstalk optimization, wavefront correction using the IFS image, lenslet tolerancing, the required spectral resolution to fit exoplanet atmospheres, and the utility of the spectrum in achieving higher contrast detection limits.

Groff, Tyler D.↗