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383 records · Page 22

Efficient Active Learning for Gaussian Process Classification by Error Reduction

Active learning sequentially selects the best instance for labeling by optimizing an acquisition function to enhance data/label efficiency. The selection can be either from a discrete instance set (pool-based scenario) or a continuous instance space (query synthesis scenario). In this work, we study both active learning scenarios for Gaussian Process Classification (GPC). The existing active learning strategies that maximize the Estimated Error Reduction (EER) aim at reducing the classification error after training with the new acquired instance in a onestep-look-ahead manner. The computation of EER-based acquisition functions is typically prohibitive as it requires retraining the GPC with every new query. Moreover, as the EER is not smooth, it can not be combined with gradient-based optimization techniques to efficiently explore the continuous instance space for query synthesis. To overcome these critical limitations, we develop computationally efficient algorithms for EER-based active learning with GPC. Further, we derive the joint predictive distribution of label pairs as a one-dimensional integral, as a result of which the computation of the acquisition function avoids retraining the GPC for each query, remarkably reducing the computational overhead. We also derive the gradient chain rule to efficiently calculate the gradient of the acquisition function, which leads to the first query synthesis active learning algorithm implementing EER-based strategies. Our experiments clearly demonstrate the computational efficiency of the proposed algorithms. We also benchmark our algorithms on both synthetic and real-world datasets, which show superior performance in terms of sampling efficiency compared to the existing state-of-the-art algorithms.

97 MATHEMATICS AND COMPUTING↗

Successive Homologous Coronal Mass Ejections Driven by Shearing and Converging Motions in Solar Active Region NOAA 12371

We study the magnetic field evolution in AR 12371, related to its successive eruptive nature. During the disk transit of seven days, the active region (AR) launched four sequential fast coronal mass ejections (CMEs), which are associated with long duration M-class flares. Morphological study delineates a pre-eruptive coronal sigmoid structure above the polarity inversion line (PIL) similar to Moore et al.’s study. The velocity field derived from tracked magnetograms indicates persistent shear and converging motions of polarity regions about the PIL. While these shear motions continue, the crossed arms of two sigmoid elbows are being brought to interaction by converging motions at the middle of the PIL, initiating the tether-cutting reconnection of field lines and the onset of the CME explosion. The successive CMEs are explained by a cyclic process of magnetic energy storage and release referred to as “sigmoid-to-arcade-to-sigmoid” transformation driven by photospheric flux motions. Furthermore, the continued shear motions inject helicity flux with a dominant negative sign, which contributes to core field twist and its energy by building a twisted flux rope (FR). After a limiting value, the excess coronal helicity is expelled by bodily ejection of the FR, which is initiated by some instability as realized by intermittent CMEs. This AR is in contrast with the confined AR 12192 with a predominant negative sign and larger helicity flux, but much weaker (−0.02 turns) normalized coronal helicity content. While predominant signed helicity flux is a requirement for CME eruption, our study suggests that the magnetic flux normalized helicity flux is a necessary condition accommodating the role of background flux and appeals to a further study of a large sample of ARs.

79 ASTRONOMY AND ASTROPHYSICS↗

Activity-Based Protein Profiling of Ammonia Monooxygenase in Nitrosomonas europaea

Nitrosomonas europaea is an aerobic nitrifying bacterium that oxidizes ammonia (NH 3 ) to nitrite (NO 2 ₋ ) through the sequential activities of ammonia monooxygenase (AMO) and hydroxylamine dehydrogenase (HAO). Many alkynes are mechanism-based inactivators of AMO, and here we describe an activity-based protein profiling method for this enzyme using 1,7-octadiyne (17OD) as a probe. Inactivation of NH 4 + -dependent O 2 uptake by N. europaea by 17OD was time- and concentration-dependent. The effects of 17OD were specific for ammonia-oxidizing activity, and de novo protein synthesis was required to reestablish this activity after cells were exposed to 17OD. Cells were reacted with Alexa Fluor 647 azide using a copper-catalyzed azide-alkyne cycloaddition (CuAAC) (click) reaction, solubilized, and analyzed by SDS-PAGE and infrared (IR) scanning. A fluorescent 28-kDa polypeptide was observed for cells previously exposed to 17OD but not for cells treated with either allylthiourea or acetylene prior to exposure to 17OD or for cells not previously exposed to 17OD. The fluorescent polypeptide was membrane associated and aggregated when heated with β-mercaptoethanol and SDS. The fluorescent polypeptide was also detected in cells pretreated with other diynes, but not in cells pretreated with structural homologs containing a single ethynyl functional group. The membrane fraction from 17OD-treated cells was conjugated with biotin-azide and solubilized in SDS. Streptavidin affinity-purified polypeptides were on-bead trypsin-digested, and amino acid sequences of the peptide fragments were determined by liquid chromatography-mass spectrometry (LC-MS) analysis. Peptide fragments from AmoA were the predominant peptides detected in 17OD-treated samples. In-gel digestion and matrix-assisted laser desorption ionization–tandem time of flight (MALDI-TOF/TOF) analyses also confirmed that the fluorescent 28-kDa polypeptide was AmoA.

Environmental Molecular Sciences Laboratory↗

Soil and Water Chemistry and Trace Metal Extractability and Speciation in Wetland Soils from Illinois and South Carolina and Stream Sediments from Tennessee

Dataset revised on October 15, 2021. This revision adds sulfur and iron X-ray absorption near-edge structure spectra for the wetland soils and stream sediments from the field areas. It also renames the sample locations in a way that is more intuitive to readers of the companion paper that is under review. Finally, the data filenames and organization have been updated in their labeling to parallel the data sources in the associated paper. The abstract text and methods were also revised to reflect the data that was added to the dataset.Trace metals are essential for microbially-mediated biogeochemical processes occurring in anoxic wetland soils and stream bed sediments, such as denitrification, methanogenesis, and mercury methylation. Low availability of these elements may potentially inhibit key components of anaerobic carbon and nitrogen cycling and contaminant transformation. The solid-phase speciation of trace metals likely plays an important role in controlling their bioavailability. Metal speciation is well studied in contaminated soils and sediments as well as those naturally elevated in trace metals. However, less is known regarding the chemical forms of trace metals in systems having concentrations similar to geological background levels, the very settings where metal limitations may be most prevalent. We have investigated trace metal concentrations, extractability, and solid-phase speciation in three freshwater subsurface aquatic systems: marsh wetland soils, riparian wetland soils, and the sediments of a streambed.Data are provided for marsh wetland soils at Argonne National Laboratory, riparian wetland soils in the Tims Branch watershed at Savannah River National Laboratory, and stream bed sediments from East Fork Poplar Creek near Oak Ridge National Laboratory. Soil and sediment elemental abundances, mineralogy, and extractable nutrients as well as dissolved major elements, anions, trace metals, and nutrients in the overlying surface waters are provided. In addition, the results of sequential chemical extraction for the trace metals cobalt, nickel, copper, and zinc from the soils and sediment are reported as well as X-ray absorption near-edge structure (XANES) spectra in these materials are reported. To aid interpretation of these data, XANES spectra of sulfur in the soils and sediments as well as both XANES and extended X-ray absorption fine structure (EXAFS) spectra of iron in these materials are reported. The data package also includes the XANES spectra of reference standards and a potential interferent in the measurements. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units. Note that "u" is used in place of Greek lower case mu to indicate the micro prefix on units.

54 ENVIRONMENTAL SCIENCES↗

{sup 6}LiF:ZnS(Ag) Neutrons Scintillator Detector Configuration for Optimal Readout

A Chromatic Analysis Neutron Diffractometer Or Reflectometer (CANDOR) is under development at the NIST Center for Neutron Research (NCNR). The CANDOR neutron sensor will rely on scintillator material for detecting the neutrons scattered by the sample under test. It consists of {sup 6}LiF:ZnS(Ag) scintillator material into which wavelength shifting (WLS) fibers have been embedded. Solid state photo-sensors (silicon photomultipliers) coupled to the WLS fibers are used to detect the light produced by the neutron capture event ({sup 6}Li (n,α) {sup 3}H reaction) and ionization of the ZnS(Ag). This detector configuration has the potential to accomplish the CANDOR performance requirements for efficiency of 90% for 5 A (3.35 meV) neutrons with high gamma rejection (10{sup 7}) along with compact design, affordable cost and materials availability. However this novel design includes challenges for precise neutron detection. The recognizing of the neutron signature versus the noise event produce by gamma event cannot be easy overcome by pulse height discrimination obstacle as can be achieved with {sup 3}He gas tube. Furthermore the selection of silicon photomultipliers (SiPM) as the light sensor maintains the obstacle of dark noise that does not exist when a photomultiplier tube is coupled to the scintillator. A proper selection of SiPM should focus on increasing the output signal and reducing the dark noise in order to optimize the detection sensitivity and to provide a clean signal pulse shape discrimination. The main parameters for evaluation are: - Quantum Efficiency (QE) - matching the SiPM peak QE with the peak transmission wavelength emission of the WLS. - Recovery time - a short recovery time is preferred to minimize the pulse width beyond the intrinsic decay time of the scintillator crystal (improves the gamma rejection based output pulse shape (time)). - Diode dimensions -The dark noise is proportional to the diode active area while the signal is provided by the WLS fibers; therefore the diode area should ideally be only minimally larger than fiber bundle area. - Low dark noise - it is desirable to minimize the dark noise during the pulse integration period so as to minimize the background for pulse shape discrimination. - Photon Detection Efficiency - it is desirable to increase the SiPM PDE in order to enhance light collection. This will increase the likelihood of detecting neutron events with lower light production and will present a cleaner raw signal for pulse shape discrimination. We will present the SiPM optimization process and studies of dark noise and gamma and neutron sensitivity as a function of bias voltage and operating temperature that have enabled us to optimize the detector sensitivity and gamma rejection. The gamma rejection performance goal requires to overcome the challenge of discriminating between the light signature accepted by neutron event to the one received by the noise. In addition there is a huge variation between the number of light photons that reaching the WLS fibers for different neutron events caused by the heavy ions energy losses prior to ionizing the ZnS(Ag) and the high light attenuation of the scintillation mixture. This variation in the light signal along with the long decay time of the ZnS(Ag) (tens of microseconds) can cause double counting of the same neutron event in the case of high light output signature or preventing the detection of low sequential light output signature neutron event. We will presents the algorithm developed for {sup 6}LiF:ZnS(Ag) sensor readout and the results achieved by an off-line analysis by Matlab software code that successfully achieved both the high gamma rejection with a sensitive and accurate neutron event detection. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗