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At least 73 records · Page 4

Optimization of Molecular Methods for Detecting Duckweed-Associated Bacteria

The bacterial colonization dynamics of plants can differ between phylogenetically similar bacterial strains and in the context of complex bacterial communities. Quantitative methods that can resolve closely related bacteria within complex communities can lead to a better understanding of plant–microbe interactions. However, current methods often lack the specificity to differentiate phylogenetically similar bacterial strains. In this study, we describe molecular strategies to study duckweed–associated bacteria. We first systematically optimized a bead-beating protocol to co-isolate nucleic acids simultaneously from duckweed and bacteria. We then developed a generic fingerprinting assay to detect bacteria present in duckweed samples. To detect specific duckweed–bacterium associations, we developed a genomics-based computational pipeline to generate bacterial strain-specific primers. These strain-specific primers differentiated bacterial strains from the same genus and enabled the detection of specific duckweed–bacterium associations present in a community context. Moreover, we used these strain-specific primers to quantify the bacterial colonization of duckweed by normalization to a plant reference gene and revealed differences in colonization levels between strains from the same genus. Lastly, confocal microscopy of inoculated duckweed further supported our PCR results and showed bacterial colonization of the duckweed root–frond interface and root interior. The molecular methods introduced in this work should enable the tracking and quantification of specific plant-microbe associations within plant-microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗

Parallel processing for digital picture comparison

In picture processing an important problem is to identify two digital pictures of the same scene taken under different lighting conditions. This kind of problem can be found in remote sensing, satellite signal processing and the related areas. The identification can be done by transforming the gray levels so that the gray level histograms of the two pictures are closely matched. The transformation problem can be solved by using the packing method. Researchers propose a VLSI architecture consisting of m x n processing elements with extensive parallel and pipelining computation capabilities to speed up the transformation with the time complexity 0(max(m,n)), where m and n are the numbers of the gray levels of the input picture and the reference picture respectively. If using uniprocessor and a dynamic programming algorithm, the time complexity will be 0(m(3)xn). The algorithm partition problem, as an important issue in VLSI design, is discussed. Verification of the proposed architecture is also given.

Cheng, H. D.↗

A comparison of multiprocessor scheduling methods for iterative data flow architectures

A comparative study is made between the Algorithm to Architecture Mapping Model (ATAMM) and three other related multiprocessing models from the published literature. The primary focus of all four models is the non-preemptive scheduling of large-grain iterative data flow graphs as required in real-time systems, control applications, signal processing, and pipelined computations. Important characteristics of the models such as injection control, dynamic assignment, multiple node instantiations, static optimum unfolding, range-chart guided scheduling, and mathematical optimization are identified. The models from the literature are compared with the ATAMM for performance, scheduling methods, memory requirements, and complexity of scheduling and design procedures.

Storch, Matthew↗

HPF Implementation of NPB2.3

We present an HPF implementation of BT, SP, LU, FT, CG and MG of NP132.3-serial benchmark set. The implementation is based on HPF performance model of the benchmark specific primitive operations with distributed arrays. We present profiling and performance data on SGI Origin 2000 and compare the results with NPB2.3. We discuss an HPF limitation in organizing pipelined computations which results in memory and communication overhead in BT and SP.

Frumkin, Michael↗

Acceleration of Stereo Correlation in Verilog

To speed up vision processing in low speed, low power devices, embedding FPGA hardware is becoming an effective way to add processing capability. FPGAs offer the ability to flexibly add parallel and/or deeply pipelined computation to embedded processors without adding significantly to the mass and power requirements of an embedded system. This paper will discuss the JPL stereo vision system, and describe how a portion of that system was accelerated by using custom FPGA hardware to process the computationally intensive portions of JPL stereo. The architecture described takes full advantage of the ability of an FPGA to use many small computation elements in parallel. This resulted in a 16 times speedup in real hardware over using a simple linear processor to compute image correlation and disparity.

machine vision↗

New Software for Ensemble Creation in the Spitzer-Space-Telescope Operations Database

Some of the computer pipelines used to process digital astronomical images from NASA's Spitzer Space Telescope require multiple input images, in order to generate high-level science and calibration products. The images are grouped into ensembles according to well documented ensemble-creation rules by making explicit associations in the operations Informix database at the Spitzer Science Center (SSC). The advantage of this approach is that a simple database query can retrieve the required ensemble of pipeline input images. New and improved software for ensemble creation has been developed. The new software is much faster than the existing software because it uses pre-compiled database stored-procedures written in Informix SPL (SQL programming language). The new software is also more flexible because the ensemble creation rules are now stored in and read from newly defined database tables. This table-driven approach was implemented so that ensemble rules can be inserted, updated, or deleted without modifying software.

Spitzer Science Center (SSC)↗

RadLab and the Environmental Data Application Dashboard: Graphical and Programming Interfaces for Interrogation of Space Telemetry Data

Sensors on the International Space Station (ISS) and multiple spacecraft elsewhere in Earth orbit and in deep space continuously monitor and collect environmental data, transmitting this information back to Earth. These data include ionizing radiation and, on the ISS, CO2, relative humidity levels, and temperature, and are of great importance to space biology research. Ionizing radiation in particular has been established in ground-based experiments as being correlated with increased risk of carcinogenesis and cardiovascular and neurological effects. Looking ahead to future long duration crewed missions beyond low Earth orbit, the ability to study how factors including CO2 levels, light cycle, temperature modulate the response to ionizing radiation and microgravity is essential. To date, access to these data has been fragmented across space agencies, spacecraft, and databases. To address this issue, NASA’s Open Science Data Repository (osdr.nasa.gov) has developed two Web applications: the Environmental Data Application (EDA) and a radiation-specific RadLab. Each consists of an API (application programming interface) and an associated GUI (graphical user interface) that provide single points of access to the data. To date, OSDR has focused on the sensors from payloads and radiation detectors located on the ISS. The Web applications process telemetry information and associated data, such as spacecraft location and orientation, from multiple international databases. The applications’ request syntax enables users to interrogate these data by craft, sensor type, time range, radiation type (galactic cosmic rays, solar particle events, the contribution of the South Atlantic Anomaly), facilitating arbitrary comparisons of original source data at varying time resolutions. The applications provide programmatic access for use in computational pipelines and GUIs for data visualization and exploration, making these data FAIR (Findable, Accessible, Interoperable, and Reusable), complementing the biological data contained in OSDR, and providing the space science community with a valuable resource for scientific analyses.

radiation↗

RadLab: Graphical and Programming Interfaces for Interrogation of Space Telemetry Data

Sensors on multiple spacecraft in and beyond low Earth orbit continuously monitor and collect space radiation data and transmit it back to Earth. These data are of vast importance to space biology research, as ionizing radiation affects living organisms—astronauts and non-human experiment subjects alike—placing them at higher risk of carcinogenesis, degenerative diseases, and radiation sickness. Therefore, knowledge of the biological effects of space radiation is essential for planning future crewed missions beyond low Earth orbit. The RadLab project, initiated by GeneLab and ALSDA (the Open Science Data Repository; OSDR) and sponsored by the NASA Human Research Program, is a new effort aimed at connecting dosimetry data from radiation detectors located on the International Space Station (ISS), as well as other spacecraft. To date, access to these data has been fragmented across space agencies and databases; to address this issue, we have developed an application programming interface (API) and an associated graphical user interface (GUI) designed to provide a single point of access to the data. As of now, OSDR has focused on the detectors located on the ISS, with the long-term goal to establish a self-sustained portal receiving continuous updates through APIs connecting to multiple radiation databases of varying scope, as well as individual investigator contributions. The RadLab API implements a request syntax enabling users to query data by craft, sensor type, timespan, etc, allowing for arbitrary combinations of original source data, thus providing programmatic access for use in computational pipelines, while the GUI facilitates data visualization and exploration, making these data FAIR (Findable, Accessible, Interoperable, and Reusable), complementing the biological data contained in OSDR, and providing the space science community with a valuable resource for scientific analyses.

radiation↗

PipeSight: A High-Performance Computing Platform for Pipeline Integrity Management

The Phase I feasibility study completed as part of this project has led to a number of innovative technologies being developed and has laid the foundation for a successful Phase II effort to commercialize a platform for managing the integrity of pipelines for the damage mechanisms of the new, hybrid-energy based economy. To ground the development efforts and direction of the project, an extensive market research and customer discovery effort was undertaken early in Phase I. Through this effort, a number of pipeline owners and operators were interviewed, and the following key findings were discovered about the pipeline industry: • Small pipeline operators do not have the central engineering groups necessary to perform their own independent analysis of inspection data, but instead rely on summarized tally sheets provided to them by inspection service providers. • The time it takes to go from an inspection to a completed engineering assessment, even for small segments of pipeline, can take anywhere from 30-120 days. During this delay, critical threats can (and have been known to) cause failures. • Uncertainty is often not accounted for in the assessment of pipeline integrity. The tally sheets provided by third-party service providers are almost always deterministic in nature, identifying threats that present a concern only to the current (not the future) integrity of the pipeline. • It is uncommon to apply the latest technologies to perform advanced assessments of damaged pipelines. There is a desire to use more advanced analysis capabilities to assess threats. Many pipeline operators indicated that they would often excavate a pipeline to perform an inspection and find that the damage was not as bad as they anticipated, thus using limited resources unnecessarily. Companies are not consistent in their use of inspection data to determine corrosion rates, and those that do only calculate deterministic corrosion rates. • The industry has prominently relied on time-based inspections but has recently started to transition to risk-based inspections. However, there appears to be no uniform guidance on how to do so while properly accounting for all sources of uncertainty. • Companies are not storing inspection data in a manner that allows for the ready determination of temporal trends. • Predictive maintenance principles and practices are beginning to be used by early adopters • Some pipelines are being re-purposed to transport different process fluids than they were designed for, e.g., H 2 and CO 2 rich process streams to serve the new hybrid-energy based economy, which are presenting new integrity concerns for the existing pipeline network that crisscrosses the United States. As a result of these discoveries, we were able to target the development efforts in Phase I to best serve the needs of the industry. In Phase I, we developed a way to correlate multiple large-scale scans of the pipeline to determine a probabilistic corrosion rate that accounts for all sources of error and uncertainty in the inspection process. This probabilistic corrosion rate can be used to predict the future thickness distribution of the pipe wall. We demonstrate how this analysis may be performed in an analytical fashion and has been implemented in such a manner that it can be readily distributed using GPU computing through integration of the Kokkos programming model. We also make a very novel extension of the analytical corrosion rate model to Bayesian Networks (an explainable AI technique) that can account for non-parametric distributions of corrosion rates. With the predictions made above for the probabilistic corrosion rate and corresponding future distribution of the pipe wall thickness, we can assess the integrity of the pipeline through the use of a probabilistic engineering assessment. We developed a novel screening data analysis approach that can rapidly identify ‘hotspots’ (local thin areas) where the integrity of the pipeline is a concern. Once more, we implemented this screening approach in C++ to leverage GPU computing via the Kokkos programming model. After the critical hotspots are identified, we developed a program that can automatically generate an advanced finite element model of the damaged regions. Since the number of damaged regions that require advanced analysis can number in the thousands, we integrated an open-source container-native workflow engine for orchestrating parallel jobs on the cloud. Initially, these advanced numerical models were only designed to account for loading due to internal pressure. However, in a slight pivot from the initial Phase I proposal, we developed a complete pipe stress analysis program (called Simflex) which can simulate the complete pipeline and its response to thermal expansion, pressure, thermal bowing, weight, wind, earthquake, support displacement, support friction and external forces. This pipe stress analysis program was written generically, to handle any piping system, but contains the features needed to model long pipelines (i.e., it incorporates a model for soil mechanics and can account for the nonlinear boundary conditions necessary to simulate long underground pipelines). This pipe stress analysis program can simulate any segment of the pipeline (simple or complex) under any set of conditions and loads, to determine the supplemental loads (axial forces and bending moments) at the location of damage. This enables the most accurate state of stress to be accounted for in the pipeline, which can prove critical when evaluating the integrity of a damaged region. In the process of developing the technologies to perform the integrity assessment of the pipeline, we also extended one of the industry standard approaches for performing the assessment of local thin areas that extend more in the circumferential direction than the longitudinal direction of the pipeline. This approach was presented to the API 579-1/AS ME FFS-1 steering committee in November 2021 for consideration in the next edition of the industry standard for Fitness-For-Service (expected to be released in 2023). To help pipeline operators make decisions with the results on any integrity assessment, we developed a new approach to the life-cycle management of pipelines which uses a Bayesian Decision Network. The network is designed to help pipeline operators plan and prioritize inspection activities and ultimately make smarter, more cost-effective decisions. The Bayesian approach accounts for all sources of uncertainty and carries them through to the final optimal decisions, providing a probabilistic framework for optimizing inspection intervals. The proof-of-concept networks developed in the feasibility study are complete, verified, and are focused on a subset of the pipeline. To expand this novel approach to the scale necessary for an entire network of pipelines in Phase II, we will leverage the DOE-funded Bengi solver for industrial-scale decision making with Bayesian Networks [22]. Once implemented, we will be able to provide the pipeline industry with a much-needed tool for optimal inspection planning using truly explainable artificial intelligence (XAI). To handle all of these advanced capabilities into a cloud-based platform, the architecture of the Equity Engineering Cloud (EEC) was extended to include Argo Workflows, a framework capable of distributing and managing a massive number of jobs that consume their own resources, such that thousands of serial finite element simulations can be run in parallel. As part of this substantial undertaking, we also integrated Argo Continuous Delivery (CD) into the EEC, to aid with the rapid prototyping and iterations that will be imperative to the success of the PipeSight platform’s Agile development process in Phase II. As part of the pipe stress analysis program, we also developed a custom visualizer that leverages the DOE-funded VTK visualization library. We added custom contouring capabilities and a means for interacting visually with both the inputs and outputs of the pipe stress analysis program. We also developed routines for automating the post-processing of the finite element simulations to determine if any failure criteria are met and to visualize the deformations, stresses and strains in ParaView using the exodus II file format (a subset of netCDF).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Partitioning problems in parallel, pipelined and distributed computing

The problem of optimally assigning the modules of a parallel program over the processors of a multiple computer system is addressed. A Sum-Bottleneck path algorithm is developed that permits the efficient solution of many variants of this problem under some constraints on the structure of the partitions. In particular, the following problems are solved optimally for a single-host, multiple satellite system: partitioning multiple chain structured parallel programs, multiple arbitrarily structured serial programs and single tree structured parallel programs. In addition, the problems of partitioning chain structured parallel programs across chain connected systems and across shared memory (or shared bus) systems are also solved under certain constraints. All solutions for parallel programs are equally applicable to pipelined programs. These results extend prior research in this area by explicitly taking concurrency into account and permit the efficient utilization of multiple computer architectures for a wide range of problems of practical interest.

Bokhari, S.↗

Partitioning problems in parallel, pipelined, and distributed computing

The problem of optimally assigning the modules of a parallel program over the processors of a multiple-computer system is addressed. A sum-bottleneck path algorithm is developed that permits the efficient solution of many variants of this problem under some constraints on the structure of the partitions. In particular, the following problems are solved optimally for a single-host, multiple-satellite system: partitioning multiple chain-structured parallel programs, multiple arbitrarily structured serial programs, and single-tree structured parallel programs. In addition, the problem of partitioning chain-structured parallel programs across chain-connected systems is solved under certain constraints. All solutions for parallel programs are equally applicable to pipelined programs. These results extend prior research in this area by explicitly taking concurrency into account and permit the efficient utilization of multiple-computer architectures for a wide range of problems of practical interest.

Bokhari, Shahid H.↗

Programable Pipelined-Image Processor

Computer serves as pipelined processor for imagery or other two-dimensional digital data. Processor does feature extraction, smoothing, edge detection, texture measurement, and stereoscoptic area correlation. Also plans routes for obstacle avoidance by robots and solves two-dimensional partial differential equations. Image processor consists of modular units: each includes set of computing elements of types particularly useful in pipelined-image processing. Flexible interconnection scheme used to route data to subsequent stages of pipeline.

Gennery, D. B.↗

A parallel variable metric optimization algorithm

An algorithm, designed to exploit the parallel computing or vector streaming (pipeline) capabilities of computers is presented. When p is the degree of parallelism, then one cycle of the parallel variable metric algorithm is defined as follows: first, the function and its gradient are computed in parallel at p different values of the independent variable; then the metric is modified by p rank-one corrections; and finally, a single univariant minimization is carried out in the Newton-like direction. Several properties of this algorithm are established. The convergence of the iterates to the solution is proved for a quadratic functional on a real separable Hilbert space. For a finite-dimensional space the convergence is in one cycle when p equals the dimension of the space. Results of numerical experiments indicate that the new algorithm will exploit parallel or pipeline computing capabilities to effect faster convergence than serial techniques.

Straeter, T. A.↗

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline

A rapid response is necessary to contain emergent biological outbreaks before they can become pandemics. The novel coronavirus (SARS-CoV-2) that causes COVID-19 was first reported in December of 2019 in Wuhan, China and reached most corners of the globe in less than two months. In just over a year since the initial infections, COVID-19 infected almost 100 million people worldwide. Although similar to SARS-CoV and MERS-CoV, SARS-CoV-2 has resisted treatments that are effective against other coronaviruses. Crystal structures of two SARS-CoV-2 proteins, spike protein and main protease, have been reported and can serve as targets for studies in neutralizing this threat. We have employed molecular docking, molecular dynamics simulations, and machine learning to identify from a library of 26 million molecules possible candidate compounds that may attenuate or neutralize the effects of this virus. The viability of selected candidate compounds against SARS-CoV-2 was determined experimentally by biolayer interferometry and FRET-based activity protein assays along with virus-based assays. In the pseudovirus assay, imatinib and lapatinib had IC 50 values below 10 μM, while candesartan cilexetil had an IC 50 value of approximately 67 µM against M pro in a FRET-based activity assay. Comparatively, candesartan cilexetil had the highest selectivity index of all compounds tested as its half-maximal cytotoxicity concentration 50 (CC 50 ) value was the only one greater than the limit of the assay (>100 μM).

59 BASIC BIOLOGICAL SCIENCES↗

FLEET: Flexible Efficient Ensemble Training for Heterogeneous Deep Neural Networks

Parallel training of an ensemble of Deep Neural Networks (DNN) on a cluster of nodes is an effective approach to shorten the process of neural network architecture search and hyper-parameter tuning for a given learning task. Prior efforts have shown that data sharing, where the common preprocessing operation is shared across the DNN training pipelines, saves computational resources and improves pipeline efficiency. Data sharing strategy, however, performs poorly for a heterogeneous set of DNNs where each DNN has varying computational needs and thus different training rate and convergence speed. This paper proposes FLEET, a flexible ensemble DNN training framework for efficiently training a heterogeneous set of DNNs. We build FLEET via several technical innovations. We theoretically prove that an optimal resource allocation is NP-hard and propose a greedy algorithm to efficiently allocate resources for training each DNN with data sharing. We integrate data-parallel DNN training into ensemble training to mitigate the differences in training rates and introduce checkpointing into this context to address the issue of different convergence speeds. Experiments show that FLEET significantly improves the training efficiency of DNN ensembles without compromising the quality of the result.

Guan, Hui↗

Spatiotemporal analysis of 3D human iPSC-derived neural networks using a 3D multi-electrode array

While there is a growing appreciation of three-dimensional (3D) neural tissues (i.e., hydrogel-based, organoids, and spheroids), shown to improve cellular health and network activity to mirror brain-like activity in vivo , functional assessment using current electrophysiology techniques (e.g., planar multi-electrode arrays or patch clamp) has been technically challenging and limited to surface measurements at the bottom or top of the 3D tissue. As next-generation MEAs, specifically 3D MEAs, are being developed to increase the spatial precision across all three dimensions (X, Y, Z), development of improved computational analytical tools to discern region-specific changes within the Z dimension of the 3D tissue is needed. In the present study, we introduce a novel computational analytical pipeline to analyze 3D neural network activity recorded from a “bottom-up” 3D MEA integrated with a 3D hydrogel-based tissue containing human iPSC-derived neurons and primary astrocytes. Over a period of ~6.5 weeks, we describe the development and maturation of 3D neural activity (i.e., features of spiking and bursting activity) within cross sections of the 3D tissue, based on the vertical position of the electrode on the 3D MEA probe, in addition to network activity (identified using synchrony analysis) within and between cross sections. Then, using the sequential addition of postsynaptic receptor antagonists, bicuculline (BIC), 2-amino-5-phosphonovaleric acid (AP-5), and 6-cyano-5-nitroquinoxaline-2,3-dione (CNQX), we demonstrate that networks within and between cross sections of the 3D hydrogel-based tissue show a preference for GABA and/or glutamate synaptic transmission, suggesting differences in the network composition throughout the neural tissue. The ability to monitor the functional dynamics of the entire 3D reconstructed neural tissue is a critical bottleneck; here we demonstrate a computational pipeline that can be implemented in studies to better interpret network activity within an engineered 3D neural tissue and have a better understanding of the modeled organ tissue.

3D culture↗

Building a Computational and Experimental Rapid Response Pipeline to Counter the Coronavirus Disease 2019 Outbreak and Emerging Biothreats

The LDRD ER “Building a Computational and Experimental Rapid Response Pipeline to Counter the Coronavirus Disease 2019 Outbreak and Emerging Biothreats” was conceived to address a need for rapid, scalable, evaluation of computationally designed therapeutic or prophylactic antibodies and vaccine antigens, two important classes of protein medical countermeasure (MCM). This was done in complement to a computationally driven LDRD 20ERD032 “Active Learning for Rapid Design of Vaccines and Antibodies.” Natural antibodies and antigens are often insufficiently broad or robust across different pathogens and their variants. Leveraging a collaboration of simulation driven machine learning, structural expertise, and high-throughput characterization of candidate antibodies, we successfully re-targeted three different anti-SARS-CoV-1 antibodies to neutralize SARS-CoV-2 in vitro. Our antibody design work reached its most important stage in rapid response to the emergence of the Omicron variant of concern (VOC) in late 2021. In a matter of weeks, we computationally designed derivative antibodies of COV2-2130, one of two antibodies from Vanderbilt that form the basis of the AstraZeneca Evusheld prophylactic drug product. This drug product suffers a serious loss of efficacy against Omicron BA.1 and BA.1.1, the first Omicron strains. Our designs were successful, including a pair of designs which provide potent neutralization of not only Omicron BA.1 and BA.1.1, but also the earlier Delta variant, and subsequent Omicron strains including BA.2, BA.4, BA.5, and BA.2.75, demonstrating that our multi-target design process can, by its nature, produce robust antibody designs that strictly improve over the parental antibody. These results, recognized by a 2022 Director’s Science and Technology award, have enabled the follow-on GUIDE program, to commence in FY23.

59 BASIC BIOLOGICAL SCIENCES↗