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Results for “Mathematics of computing”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Graeme A. Bird

Few of those who read the 1963 research note by Graeme A. Bird in Physics of Fluids could have imagined that 50 years later the proposed new numerical technique would have become the dominant numerical technique in molecular gas dynamics. The introduction of the Direct Simulation Monte Carlo (DSMC) method not only has altered the field of molecular gas dynamics but also has influenced fields such as physical chemistry, mathematics, computer science, and aerothermodynamics. Further, the DSMC method has been used to probe into previously uninvestigated theoretical aspects of the Boltzmann equation and has also served as a platform for the development of nonequilibrium chemistry models. The DSMC method’s most noteworthy achievement is that molecular gas dynamics became a practical tool in the hands of aerospace engineers in many situations of spacecraft design and mission analysis.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Precancer Atlas to Drive Precision Prevention Trials

Cancer development is a complex process driven by inherited and acquired molecular and cellular alterations. Prevention is the holy grail of cancer elimination, but making this a reality will take a fundamental rethinking and deep understanding of premalignant biology. Here, we propose a national concerted effort to create a Precancer Atlas (PCA), integrating multi-omics and immunity – basic tenets of the neoplastic process. The biology of neoplasia caused by germline mutations has led to paradigm-changing precision prevention efforts, including: tumor testing for mismatch repair (MMR) deficiency in Lynch syndrome establishing a new paradigm, combinatorial chemoprevention efficacy in familial adenomatous polyposis (FAP), signal of benefit from imaging-based early detection research in high-germline risk for pancreatic neoplasia, elucidating early ontogeny in BRCA1-mutation carriers leading to an international breast cancer prevention trial, and insights into the intricate germline-somatic-immunity interaction landscape. Emerging genetic and pharmacologic (metformin) disruption of mitochondrial (mt) respiration increased autophagy to prevent cancer in a Li-Fraumeni mouse model (biology reproduced in clinical pilot) and revealed profound influences of subtle changes in mt DNA background variation on obesity, aging, and cancer risk. The elaborate communication between the immune system and neoplasia includes an increasingly complex cellular microenvironment and dynamic interactions between host genetics, environmental factors, and microbes in shaping the immune response. Cancer vaccines are in early murine and clinical precancer studies, building on the recent successes of immunotherapy and HPV vaccine immune prevention. Molecular monitoring in Barrett's esophagus to avoid overdiagnosis/treatment highlights an important PCA theme. Next generation sequencing (NGS) discovered age-related clonal hematopoiesis of indeterminate potential (CHIP). Ultra-deep NGS reports over the past year have redefined the premalignant landscape remarkably identifying tiny clones in the blood of up to 95% of women in their 50s, suggesting that potentially premalignant clones are ubiquitous. Similar data from eyelid skin and peritoneal and uterine lavage fluid provide unprecedented opportunities to dissect the earliest phases of stem/progenitor clonal (and microenvironment) evolution/diversity with new single-cell and liquid biopsy technologies. Cancer mutational signatures reflect exogenous or endogenous processes imprinted over time in precursors. In conclusion, accelerating the prevention of cancer will require a large-scale, longitudinal effort, leveraging diverse disciplines (from genetics, biochemistry, and immunology to mathematics, computational biology, and engineering), initiatives, technologies, and models in developing an integrated multi-omics and immunity PCA – an immense national resource to interrogate, target, and intercept events that drive oncogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Efficient prediction of human protein-protein interactions at a global scale

Background: Our knowledge of global protein-protein interaction (PPI) networks in complex organisms such as humans is hindered by technical limitations of current methods. Results: On the basis of short co-occurring polypeptide regions, we developed a tool called MP-PIPE capable of predicting a global human PPI network within 3 months. With a recall of 23% at a precision of 82.1%, we predicted 172,132 putative PPIs. We demonstrate the usefulness of these predictions through a range of experiments. Conclusions: The speed and accuracy associated with MP-PIPE can make this a potential tool to study individual human PPI networks (from genomic sequences alone) for personalized medicine.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Experimental Observations of the Topology of Convolutional Neural Network Activations

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture resulting in high-dimensional, difficult to interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors of our society, there is increasing recognition that mathematical methods are needed to aid analysts, researchers, and practitioners in understanding and interpreting how these models' internal representations relate to the final classification. In this paper we apply cutting edge techniques from TDA with the goal of gaining insight towards interpretability of convolutional neural networks used for image classification. We use two common TDA approaches to explore several methods for modeling hidden layer activations as high-dimensional point clouds, and provide experimental evidence that these point clouds capture valuable structural information about the model's process. First, we demonstrate that a distance metric based on persistent homology can be used to quantify meaningful differences between layers and discuss these distances in the broader context of existing representational similarity metrics for neural network interpretability. Second, we show that a mapper graph can provide semantic insight as to how these models organize hierarchical class knowledge at each layer. These observations demonstrate that TDA is a useful tool to help deep learning practitioners unlock the hidden structures of their models.

topological data analysis, deep learning↗
DOE OSTI2019

Frontiers of Materials Research: A Decadal Survey

Modern materials science builds on knowledge from physics, chemistry, biology, mathematics, computer and data science, and engineering sciences to enable us to understand, control, and expand the material world. Although it is anchored in inquiry-based fundamental science, materials research is strongly focused on discovering and producing reliable and economically viable materials, from super alloys to polymer composites, that are used in a vast array of products essential to today’s societies and economies. Frontiers of Materials Research: A Decadal Survey is aimed at documenting the status and promising future directions of materials research in the United States in the context of similar efforts worldwide. This third decadal survey in materials research reviews the progress and achievements in materials research and changes in the materials research landscape over the last decade; research opportunities for investment for the period 2020-2030; impacts that materials research has had and is expected to have on emerging technologies, national needs, and science; and challenges the enterprise may face over the next decade.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Scaling and Benchmarking an Evolutionary Algorithm for Constructing Biophysical Neuronal Models

Single neuron models are fundamental for computational modeling of the brain's neuronal networks, and understanding how ion channel dynamics mediate neural function. A challenge in defining such models is determining biophysically realistic channel distributions. Here, we present an efficient, highly parallel evolutionary algorithm for developing such models, named NeuroGPU-EA. NeuroGPU-EA uses CPUs and GPUs concurrently to simulate and evaluate neuron membrane potentials with respect to multiple stimuli. We demonstrate a logarithmic cost for scaling the stimuli used in the fitting procedure. NeuroGPU-EA outperforms the typically used CPU based evolutionary algorithm by a factor of 10 on a series of scaling benchmarks. We report observed performance bottlenecks and propose mitigation strategies. Finally, we also discuss the potential of this method for efficient simulation and evaluation of electrophysiological waveforms.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Solidification in neutron star cores

A mathematical computation based on the t-matrix approach shows that a system of strongly interacting baryons under sufficiently high pressure (approximately 10 to the 30th power atm) and densities greater than 10 to the 15th power g/cu cm minimizes the energy by arranging the constituents in a lattice structure rather than in a fluid phase. The solution is given assuming an optimum spin arrangement, although all other possible arrangements would also satisfy the conditions for crystallization to occur.

Canuto, V.↗
NASA NTRS1974

Agriculture, forestry, range resources

The necessary elements to perform global inventories of agriculture, forestry, and range resources are being brought together through the use of satellites, sensors, computers, mathematics, and phenomenology. Results of ERTS-1 applications in these areas, as well as soil mapping, are described.

Macdonald, R. B.↗
NASA NTRS1975

Preliminary evaluation of the contaminant induced environment for the space shuttle orbiter

A preliminary evaluation of the on-orbit induced environment from identified major sources of contamination for the STS shuttle orbiter is presented. A contamination computer mathematical model is discussed that was used to develop the description and predictions of the induced environment along with the extent and physical makeup of the molecular induced environment from these sources. The predicted induced molecular environment from each source is evaluated against current Space Shuttle Program on-orbit contamination control criteria. The flash evaporator vents and the VCS 25-lb thrust engines are shown to significantly exceed applicable contamination control criteria and were the subject of extensive evaluation. Preliminary conclusions concerning the contaminant potential of these sources along with recommendations for various measures of contamination control regarding the shuttle orbiter design and operational activities are made.

Bareiss, L. E.↗
NASA NTRS1976

Prediction of passenger ride quality in a multifactor environment

A model being developed, permits the understanding and prediction of passenger discomfort in a multifactor environment with particular emphasis upon combined noise and vibration. The model has general applicability to diverse transportation systems and provides a means of developing ride quality design criteria as well as a diagnostic tool for identifying the vibration and/or noise stimuli causing discomfort. Presented are: (1) a review of the basic theoretical and mathematical computations associated with the model, (2) a discussion of methodological and criteria investigations for both the vertical and roll axes of vibration, (3) a description of within-axis masking of discomfort responses for the vertical axis, thereby allowing prediction of the total discomfort due to any random vertical vibration, (4) a discussion of initial data on between-axis masking, and (5) discussion of a study directed towards extension of the vibration model to the more general case of predicting ride quality in the combined noise and vibration environments.

Dempsey, T. K.↗
NASA NTRS1977

Analysis of diffential absorption lidar technique for measurements of anhydrous hydrogen chloride from solid rocket motors using a deuterium fluoride laser

An active optical technique (differential absorption lidar (DIAL)) for detecting, ranging, and quantifying the concentration of anhydrous HCl contained in the ground cloud emitted by solid rocket motors (SRM) is evaluated. Results are presented of an experiment in which absorption coefficients of HCl were measured for several deuterium fluoride (DF) laser transitions demonstrating for the first time that a close overlap exists between the 2-1 P(3) vibrational transition of the DF laser and the 1-0 P(6) absorption line of HCl, with an absorption coefficient of 5.64 (atm-cm) to the -1 power. These measurements show that the DF laser can be an appropriate radiation source for detecting HCl in a DIAL technique. Development of a mathematical computer model to predict the sensitivity of DIAL for detecting anhydrous HCl in the ground cloud is outlined, and results that assume a commercially available DF laser as the radiation source are presented.

Bair, C. H.↗
NASA NTRS1977

Proceedings of the 1977 MACSYMA users' conference (NASA)

The MACSYMA program for symbolic and algebraic manipulation enables exact, symbolic mathematical computations to be performed on a computer. This program is rather large, and various approaches to the hardware and software problems are examined.

Source record↗
NASA NTRS1980

Handling Qualities of Large Flexible Aircraft

The effects on handling qualities of elastic modes interaction with the rigid body dynamics of a large flexible aircraft are studied by a mathematical computer simulation. An analytical method to predict the pilot ratings when there is a severe modes interactions is developed. This is done by extending the optimal control model of the human pilot response to include the mode decomposition mechanism into the model. The handling qualities are determined for a longitudinal tracking task using a large flexible aircraft with parametric variations in the undamped natural frequencies of the two lowest frequency, symmetric elastic modes made to induce varying amounts of mode interaction.

Poopaka, S.↗
NASA NTRS1979

VLSI system for synthetic aperture radar /SAR/ processing

The paper discusses an SAR problem based on actual requirements set forth by NASA for a spaceborne application. The requirements for high resolution and high quality necessitate a data sampling rate of 7.5 MHz. For each data value 1,025 4-bit complex multiply + add operations are needed, which is equivalent to 7.7 GHz complex multiply + add operation rate. Since this rate is much too high for general purpose systems, a special-purpose device was sought. This paper discusses two architectures based on parallel operation of 1,025 identical cells, each of which is capable of performing arithmetic, storage, and several control operations. The operation rate in each device is only 7.5 MHz, which is quite manageable, especially with the help of a substantial degree of pipelining. A computational-mathematical analysis is used as a primary tool for evaluating the design and some of its tradeoffs. Two different approaches are discussed and compared; both are based on having 1,025 identical cells working in parallel, but differ in their dual approaches to the flow of data.

Cohen, D.↗
NASA NTRS1983

Microfissuring of Inconel 718

A tentative mathematical computer model of the microfissuring process during electron beam welding of Inconel 718 has been constructed. Predictions of the model are compatible with microfissuring tests on eight 0.25-in. thick test plates. The model takes into account weld power and speed, weld loss (efficiency), parameters and material characteristics. Besides the usual material characteristics (thermal and strength properties), a temperature and grain size dependent critical fracture strain is required by the model. The model is based upon fundamental physical theory (i.e., it is not a mere data interpolation system), and can be extended to other metals by suitable parameter changes.

Nunes, A. C., Jr.↗
NASA NTRS1989

Expansion and orthogonalization of measured modes for structure identification

The purpose was to investigate a new simultaneous expansion/orthogonalization method in comparison with two previously published expansion methods and a widely used orthogonalization technique. Each expansion method uses data from an analytical model of the structure to complete the estimate of the mode shape vectors. Berman and Nagy used Guyan expansion in their work with improving analytical models. In this method, modes are expanded one at a time, producing a set not orthogonal with respect to the mass matrix. Baruch and Bar Itzhack's optimal orthogonalization procedure was used to subsequently adjust the expanded modes. A second expansion technique was presented by O'Callahan, Avitabile, and Reimer and separately by Kammer. Again, modes are expanded individually and orthogonalized after expansion with the same optimal technique as above. Finally, a simultaneous expansion/orthogonalization method was developed from the orthogonal Procrustes problem of computational mathematics. In this method modes are optimally expanded as a set and orthogonal with respect to the mass matrix as a result. Two demonstation problems were selected for the comparison of the methods described. The first problem is an 8 degree of freedom spring-mass problem first presented by Kabe. Several conditions were examined for expansion method including the presence of errors in the measured data and in the analysis models. As a second demonstration problem, data from tests of laboratory scale model truss structures was expanded for system identification. Tests with a complete structure produced a correlated analysis model and the stiffness and mass matrices. Tests of various damaged configurations produced measured data for 6 modes at 14 dof locations.

Smith, Suzanne Weaver↗