A data-driven comparison of commercially available testing methods for algae characterization
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59 BASIC BIOLOGICAL SCIENCES↗
SEARCH · Engineering Papers
Results for “Data Driven Analysis”
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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Image processing pipeline for AI-driven nanoparticle megalibrary characterization
Recent innovations have made it possible to produce megalibraries, millions of structurally and compositionally distinct nanoparticles on a chip. These megalibraries yield vast volumes of data that are impossible to analyze manually, necessitating the development of automated tools. In previous work, we created a binary classification machine learning model to select quality nanoparticle images for downstream analysis. In this work, we show that adding a custom image processing step before training can produce significantly higher-performing models in a fraction of the time and make them more robust to different image noise levels and microscope acquisition settings. The image processing pipeline proposed here effectively cleans raw nanoparticle images, enhances key features, and allows us to use much lower resolution images and simpler neural network model architectures. These features result in higher performance and significant cost savings. Experiments demonstrate superior performance relative to baseline, including an 18.2% improvement in recall and a 13.1% increase in accuracy. Given the high cost of downstream analysis, it is critical to minimize false positives, and our best-performing model reaches a precision of 95.9% and a weighted F-score of 95.1% on an unseen test set. Additionally, model training time is reduced from hours to less than a minute. We also show that, using this custom image processing pipeline, model performance is significantly improved at lower pixel resolutions compared to downsizing alone. We expect that adopting this pipeline for AI-driven automated nanoparticle characterization will allow researchers to rapidly and accurately analyze much greater volumes of data, thereby accelerating materials discovery.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Crystallography companion agent for high-throughput materials discovery
The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain manual, time-consuming, error-prone and impossible to scale. With the advent of autonomous robotic scientists or self-driving laboratories, contemporary techniques prohibit the integration of XRD. Here, we describe a computer program for the autonomous characterization of XRD data, driven by artificial intelligence (AI), for the discovery of new materials. Starting from structural databases, we train an ensemble model using a physically accurate synthetic dataset, which outputs probabilistic classifications—rather than absolutes—to overcome the overconfidence in traditional neural networks. This AI agent behaves as a companion to the researcher, improving accuracy and offering substantial time savings. It is demonstrated on a diverse set of organic and inorganic materials characterization challenges. This method is directly applicable to inverse design approaches and robotic discovery systems, and can be immediately considered for other forms of characterization such as spectroscopy and the pair distribution function.
36 MATERIALS SCIENCE↗
Mass Spectrometry Sample Submission Portal
Each step in the scientific process generates contextual information about the data that is important to consider when performing data integration, developing models of biological process, or training AI models. We will develop a flexible, template-driven tool that will log biological samples, capture metadata about those samples, and track the type(s) of analysis being performed by researchers providing samples for analysis by mass spectrometry.
97 MATHEMATICS AND COMPUTING↗
Distortions in memory for visual displays
Systematic errors in perception and memory present a challenge to theories of perception and memory and to applied psychologists interested in overcoming them as well. A number of systematic errors in memory for maps and graphs are reviewed, and they are accounted for by an analysis of the perceptual processing presumed to occur in comprehension of maps and graphs. Visual stimuli, like verbal stimuli, are organized in comprehension and memory. For visual stimuli, the organization is a consequence of perceptual processing, which is bottom-up or data-driven in its earlier stages, but top-down and affected by conceptual knowledge later on. Segregation of figure from ground is an early process, and figure recognition later; for both, symmetry is a rapidly detected and ecologically valid cue. Once isolated, figures are organized relative to one another and relative to a frame of reference. Both perceptual (e.g., salience) and conceptual factors (e.g., significance) seem likely to affect selection of a reference frame. Consistent with the analysis, subjects perceived and remembered curves in graphs and rivers in maps as more symmetric than they actually were. Symmetry, useful for detecting and recognizing figures, distorts map and graph figures alike. Top-down processes also seem to operate in that calling attention to the symmetry vs. asymmetry of a slightly asymmetric curve yielded memory errors in the direction of the description. Conceptual frame of reference effects were demonstrated in memory for lines embedded in graphs. In earlier work, the orientation of map figures was distorted in memory toward horizontal or vertical. In recent work, graph lines, but not map lines, were remembered as closer to an imaginary 45 deg line than they had been. Reference frames are determined by both perceptual and conceptual factors, leading to selection of the canonical axes as a reference frame in maps, but selection of the imaginary 45 deg as a reference frame in graphs.
Tversky, Barbara↗
Explainable machine learning reveals that local structural motifs encode the thermodynamic state across the CuZr metallic glass-forming range
Metallic glasses derive their properties from the statistics of local atomic motifs rather than from long-range order, yet a quantitative, chemistry-specific link between motif populations and the underlying glassy state has remained elusive. In this work we combine large-scale molecular dynamics, Voronoi tessellation, deep neural networks, and SHapley Additive exPlanations (SHAP) to identify which local structural motifs define the glassy state of Cu—Zr metallic glasses. A dataset of 17,180 atomistic configurations spanning ten compositions (Cu 20 Zr 80 –Cu 80 Zr 20 ) and four quench rates (10 9 –10 12 K/s) is used to train a feed-forward neural network that regresses temperature across the 50–2000 K liquid–supercooled–glass range, achieving a mean absolute error of 19.89 K and R 2 = 0.9974, confirming that the local structural state is faithfully encoded in motif-level structure. SHAP analysis then reveals that a tightly coupled near-icosahedral family of motifs (coordination numbers (CN) 11–13, including the full icosahedron 001200 and its single-atom-perturbation sibling 10930) collectively encodes the thermodynamic state of the system across the full glass-forming range. The CN = 11–13 ordered members carry negative SHAP values at high populations, tracking the most deeply-quenched configurations, while 10930 shows the reversed signature consistent with its role as a soft-spot host whose population shrinks as the icosahedral network deepens. The analysis demonstrates that explainable machine learning can isolate the minimal motif vocabulary defining the glassy state and recovers the near-icosahedral building blocks previously identified by data-driven analyses of Cu—Zr. The approach provides a general, chemistry-specific route for characterizing the structural state of disordered materials.
36 MATERIALS SCIENCE↗
My Virtual Cancer
Since each cancer has its own unique characteristics, each one can respond differently to the same treatments. Therefore, the creation of a digital twin (DT) of cancer can assist us in predicting the evolution of an individual's cancer through modeling each tumor's characteristics and response to treatment. Hence, we propose to take advantage of new advances in computational approaches and combine mechanistic, machine learning, and stochastic modeling approaches to create “My Virtual Cancer", a DT platform. To establish a personalized DT, we use patient-specific data for parameter estimations, sensitivity analysis, and uncertainty quantification. For each patient, we will estimate the values of parameters of their QSP model using the patient's data. We perform a multi-dimensional sensitivity analysis and uncertainty quantification on the mechanistic model to find a set of critical interactions and predict the intervals of confidence. Since this QSP model includes the data-driven mechanistic model of cells and molecules' interaction networks, one of the ultimate results of this DT would be the prediction of evolution of tumors.
60 APPLIED LIFE SCIENCES↗
Data-Driven Atomic Physics: Harnessing Machine Learning and High-Repetition-Rate Experiments for Laser-driven HED
High-energy-density plasma experiments are central to progress in atomic physics, fusion energy, and national security science, but they have traditionally been constrained by slow data collection and manual, time-intensive analysis. This project targeted that bottleneck by enabling high-repetition-rate experiments to produce and interpret much larger volumes of data quickly enough to guide experiments while they run.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Petri net model for analysis of concurrently processed complex algorithms
This paper presents a Petri-net model suitable for analyzing the concurrent processing of computationally complex algorithms. The decomposed operations are to be processed in a multiple processor, data driven architecture. Of particular interest is the application of the model to both the description of the data/control flow of a particular algorithm, and to the general specification of the data driven architecture. A candidate architecture is also presented.
Stoughton, John W.↗
Kolmogorov Flow in Three Dimensions
A numerical study of the long-time evolution of incompressible Navier-Stokes turbulence forced at a single long-wavelength Fourier mode, i.e., a Kolmogorov flow, has been completed. The boundary conditions are periodic in three dimensions and the forcing is effected by imposing a steady, two-dimensional, sinusoidal shear velocity which is directed along the x-direction and varies along the z-direction. A comparison with experimental data shows agreement with measured cross-correlations of the turbulent velocity components which lie in the mean-flow plane. A statistical analysis reveals that the shear-driven turbulence studied here has significant spectral anisotropy which increases with wave number.
Shebalin, John V.↗
Measurement of $\nu_\mu$ CC Interactions With Two-Proton Final State in MINERvA
This dissertation presents a measurement of charged–current (CC) muon–neutrino interactions with exactly two protons and no pions in the final state (CC~$2p\,0\pi$), using data collected by the MINERvA detector in the NuMI medium–energy beam at Fermilab. Such two–proton topologies are a sensitive probe of nuclear dynamics in the few–GeV regime, including multi–nucleon correlations (npnh, notably $2p2h$) and intranuclear final–state interactions (FSI) such as pion absorption and nucleon rescattering. A precise experimental characterization of these processes is essential both for neutrino–interaction theory and for reducing systematic uncertainties in oscillation experiments that rely on accurate modeling of neutrino–nucleus interactions. Events are selected by requiring a $\nu_\mu$ CC interaction with a reconstructed $\mu^-$ and two proton tracks originating from a common vertex in MINERvA’s finely segmented scintillator tracker, with no reconstructed mesons. Muon charge and momentum are constrained by matching to the MINOS Near Detector, while proton identification exploits energy–loss profiles and stopping–proton features. Backgrounds from pion–producing channels that enter the signal region through FSI or reconstruction effects are constrained with data–driven sidebands (Michel–electron and isolated–cluster “blob” samples) and tuned via a simultaneous fit across signal and sideband regions. To correct detector resolution and acceptance effects, the analysis employs iterative Bayesian unfolding with extensive validation: statistical pseudo–experiments, and robustness checks against generator systematic “universes” and additional strong shape warps. Single–differential cross sections are reported for three observables tailored to the two–proton final state: the opening–angle cosine $\cos\!\left(\theta_{pp}\right)$, the leading–proton momentum, and the subleading–proton momentum. Systematic uncertainties include contributions from neutrino flux, interaction modeling (e.g., npnh and resonance parameters, pion FSI), and detector response (calibration, reconstruction efficiencies). The resulting distributions provide targeted constraints on the interplay of multi–nucleon dynamics and FSI that shape CC~$2p\,0\pi$ final states on hydrocarbon. Comparisons to modern GENIE–based simulations highlight kinematic regions where model components require refinement. These measurements thus inform generator tuning and improve the reliability of neutrino–energy reconstruction strategies for current and future long–baseline oscillation programs.
Syrotenko, Vladyslav S. [Tufts U.]↗
A New Machine Learning Based Analysis for Improving Satellite Retrieved Atmospheric Composition Data: OMI SO2 as an Example
Despite recent progress, satellite retrievals of anthropogenic SO2 still suffer from relatively low signal-tonoise ratios. In this study, we demonstrate a new machine learning data analysis method to improve the quality of satellite SO2 products. In the absence of large ground-truth datasets for SO2, we start from SO2 slant column densities (SCDs) retrieved from the Ozone Monitoring Instrument (OMI) using a data-driven, physically based algorithm and calculate the ratio between the SCD and the root mean square (rms) of the fitting residuals for each pixel. To build the training data, we select presumably clean pixels with small SCD / rms ratios (SRRs) and set their target SCDs to zero. For polluted pixels with relatively large SRRs, we set the target to the original retrieved SCDs. We then train neural networks (NNs) to reproduce the target SCDs using predictors including SRRs for individual pixels, solar zenith, viewing zenith and phase angles, scene reflectivity, and O3 column amounts, as well as the monthly mean SRRs. For data analysis, we employ two NNs: (1) one trained daily to produce analyzed SO2 SCDs for polluted pixels each day and (2) the other trained once every month to produce analyzed SCDs for less polluted pixels for the entire month. Test results for 2005 show that our method can significantly reduce noise and artifacts over background regions. Over polluted areas, the monthly mean NN-analyzed and original SCDs generally agree to within ±15 %, indicating that our method can retain SO2 signals in the original retrievals except for large volcanic eruptions. This is further confirmed by running both the NN-analyzed and original SCDs through a topdown emission algorithm to estimate the annual SO2 emissions for ∼ 500 anthropogenic sources, with the two datasets yielding similar results. We also explore two alternative approaches to the NN-based analysis method. In one, we employ a simple linear interpolation model to analyze the original SCD retrievals. In the other, we develop a PCA–NN algorithm that uses OMI measured radiances, transformed and dimension-reduced with a principal component analysis (PCA) technique, as inputs to NNs for SO2 SCD retrievals. While the linear model and the PCA–NN algorithm can reduce retrieval noise, they both underestimate SO2 over polluted areas. Overall, the results presented here demonstrate that our new data analysis method can significantly improve the quality of existing OMI SO2 retrievals. The method can potentially be adapted for other sensors and/or species and enhance the value of satellite data in air quality research and applications.
Can Li↗
Powered By SAM [Slides]
The System Advisor Model(TM) (SAM) is a free, open-source desktop application for techno-economic analysis of energy technologies. By combining detailed performance modeling with financial analysis, SAM allows users to assess technology trade-offs, explore future scenarios, and make informed decisions about energy investments. Users also have access to model details and the ability to embed SAM's core models in their own applications. This webinar, hosted by National Laboratory of the Rockies researchers Janine Keith and Matt Prilliman, highlights how this widely used modeling tool supports data-driven decision-making for energy systems.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
A Formal Methods Approach to the Analysis of Mode Confusion
The goal of the new NASA Aviation Safety Program (AvSP) is to reduce the civil aviation fatal accident rate by 80% in ten years and 90% in twenty years. This program is being driven by the accident data with a focus on the most recent history. Pilot error is the most commonly cited cause for fatal accidents (up to 70%) and obviously must be given major consideration in this program. While the greatest source of pilot error is the loss of situation awareness , mode confusion is increasingly becoming a major contributor as well. The January 30, 1995 issue of Aviation Week lists 184 incidents and accidents involving mode awareness including the Bangalore A320 crash 2/14/90, the Strasbourg A320 crash 1/20/92, the Mulhouse-Habsheim A320 crash 6/26/88, and the Toulouse A330 crash 6/30/94. These incidents and accidents reveal that pilots sometimes become confused about what the cockpit automation is doing. Consequently, human factors research is an obvious investment area. However, even a cursory look at the accident data reveals that the mode confusion problem is much deeper than just training deficiencies and a lack of human-oriented design. This is readily acknowledged by human factors experts. It seems that further progress in human factors must come through a deeper scrutiny of the internals of the automation. It is in this arena that formal methods can contribute. Formal methods refers to the use of techniques from logic and discrete mathematics in the specification, design, and verification of computer systems, both hardware and software. The fundamental goal of formal methods is to capture requirements, designs and implementations in a mathematically based model that can be analyzed in a rigorous manner. Research in formal methods is aimed at automating this analysis as much as possible. By capturing the internal behavior of a flight deck in a rigorous and detailed formal model, the dark corners of a design can be analyzed. This paper will explore how formal models and analyses can be used to help eliminate mode confusion from flight deck designs and at the same time increase our confidence in the safety of the implementation. The paper is based upon interim results from a new project involving NASA Langley and Rockwell Collins in applying formal methods to a realistic business jet Flight Guidance System (FGS).
Butler, Ricky W.↗
Daylight simulation workflows incorporating measured bidirectional scattering distribution functions
Daylight predictions of architectural spaces depend on good estimates of light transfer through skylights, windows and other fenestration systems. For clear glazing and painted surfaces, parametric transmission and reflection models have proven adequate, but there are many cases where light-scattering, semi-specular shading and daylighting materials defy simple characterization. Something as commonplace as fabric roller shades and venetian blinds may turn daylight prediction into guesswork, and numerous advanced systems on the market tuned specifically to enhance daylight are not sufficiently characterized to distinguish their performance. In this paper, we describe new tools available to handle novel and specialized fabrics, materials, and devices using data-driven modelling of bi-directional scattering distribution functions (BSDFs). These representations are usually tabulated at constant or adjustable angular resolution for efficient point-in-time and annual daylight simulations. We describe a variety of BSDF simulation workflows, including some of the tools and methods that make advanced analysis possible, and highlight some of the current challenges. We conclude with a discussion of future work and how such data might be created and shared worldwide.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Taylor-Expansion-Based Robust Power Flow in Unbalanced Distribution Systems: A Hybrid Data-Aided Method
Traditional power flow methods often adopt certain assumptions designed for passive balanced distribution systems, thus lacking practicality for unbalanced operation. moreover, their computation accuracy and efficiency are heavily subject to unknown errors and bad data in measurements or prediction data of distributed energy resources (ders). to address these issues, this paper proposes a hybrid data-aided robust power flow algorithm in unbalanced distribution systems, which combines taylor series expansion knowledge with a data-driven regression technique. the proposed method initiates a linearization power flow model to derive an explicitly analytical solution by modified taylor expansion. to mitigate the approximation loss that surges due to the der integration and bad data, we further develop a data-aided robust support vector regression approach to estimate the errors efficiently. comparative analysis in the 13-bus and 123-bus ieee unbalanced feeders shows that the proposed hybrid algorithm achieves superior computational efficiency, with guaranteed accuracy and robustness against outliers.
data-driven↗
Processes in DNA damage response from a whole-cell multi-omics perspective
Technological advances have made it feasible to collect multi-condition multi-omic time courses of cellular response to perturbation, but the complexity of these datasets impedes discovery due to challenges in data management, analysis, visualization, and interpretation. Here, we report a whole-cell mechanistic analysis of HL-60 cellular response to bendamustine. We integrate both enrichment and network analysis to show the progression of DNA damage and programmed cell death over time in molecular, pathway, and process-level detail using an interactive analysis framework for multi-omics data. Our framework, Mechanism of Action Generator Involving Network analysis (MAGINE), automates network construction and enrichment analysis across multiple samples and platforms, which can be integrated into our annotated gene-set network to combine the strengths of networks and ontology-driven analysis. Taken together, our work demonstrates how multi-omics integration can be used to explore signaling processes at various resolutions and demonstrates multi-pathway involvement beyond the canonical bendamustine mechanism.
59 BASIC BIOLOGICAL SCIENCES↗
The Future of Sensitivity Analysis: An essential discipline for systems modeling and policy support
Sensitivity analysis (SA) is en route to becoming an integral part of mathematical modeling. The tremendous potential benefits of SA are, however, yet to be fully realized, both for advancing mechanistic and data-driven modeling of human and natural systems, and in support of decision making. In this perspective paper, a multidisciplinary group of researchers and practitioners revisit the current status of SA, and outline research challenges in regard to both theoretical frameworks and their applications to solve real-world problems. Six areas are discussed that warrant further attention, including (1) structuring and standardizing SA as a discipline, (2) realizing the untapped potential of SA for systems modeling, (3) addressing the computational burden of SA, (4) progressing SA in the context of machine learning, (5) clarifying the relationship and role of SA to uncertainty quantification, and (6) evolving the use of SA in support of decision making. An outlook for the future of SA is provided that underlines how SA must underpin a wide variety of activities to better serve science and society.
54 ENVIRONMENTAL SCIENCES↗