gebhart/patrepeval huggingface dataset:
A Fourier-transformed feature engineering design for predicting ternary perovskite properties by coupling a two-dimensional convolutional neural network with a support vector machine (Conv2D-SVM) (2023)

Abstract In computational material sciences, Machine Learning (ML) techniques are now competitive alternatives that can be used in determining target properties conventionally resolved by ab initio quantum mechanical simulations or experimental synthesization. The successes realized with ML-based techniques often rely on the quality of the design architecture, in addition to the descriptors used in representing a chemical compound with good target mapping property. With the perovskite crystal structure at the forefront of modern energy materials discovery, accurately estimating related target properties is even of high importance due to the role such properties may have in defining the functionalization. As a result, the present study proposes a new feature engineering approach that takes advantage of both the direct ionic features and the periodic Fourier transformed reciprocal features of a three-dimensional perovskite polyhedral. The study is conducted on about 27,000 ABX 3 perovskite structures with the stability energy, the formation energy, and the energy bandgap as targets. For accurate modeling, a feature-extracting two-dimensional convolutional neural network (Conv2D) is coupled with a prediction-enhancing Support Vector Machine (SVM) to form a hybridized Conv2D-SVM architecture. A comparison with previous benchmark evaluations reveals appreciable improvements in modeling accuracy for all target properties, particularly for the energy bandgap, for which the feature extraction approach yields 0.105 eV MAE, 0.301 eV RMSE, and 93.48% R 2 . Besides, the proposed design is further demonstrated to out-perform other similar periodic feature engineering approaches in the Coulomb matrix, Ewald-sum matrix, and Sine matrix, all in their absolute eigenvalue forms. All preprocessed data, source codes, and relevant sample calculations are openly available at: github.com/chenebuah/high_dim_descriptor.
Effect of Application of Ammonium Chloride and Calcium Chloride on Alfalfa Cation-Anion Content and Yield (2007)

A major factor predisposing the cow to periparturient hypocalcemia, or milk fever, is being fed a prepartum ration with a high dietary cation-anion difference (DCAD). The DCAD can be favorably altered to prevent milk fever by decreasing K and Na or increasing Cl and S in forages for cows in late gestation. The objective of this study was to test the hypothesis that application of Cl to alfalfa could increase Cl in forage, thereby lowering DCAD. We conducted a field experiment at 2 Iowa locations in which established plots of alfalfa were treated in April 2001 with 0, 56, 112, or 168 kg of Cl/ha using ammonium chloride, calcium chloride, or a mix of the 2 sources with equal amounts of chloride coming from each source. Plots were harvested 4 times in 2001 and once in 2002 and plant tissue analyzed for mineral composition. Applying chloride from either source once in the spring resulted in increased plant chloride content over all 4 cuttings for that year. Averaged across both locations, chloride levels were elevated from 0.52% in control plots to 0.77, 0.87, and 0.89% Cl in plots treated with 56, 112, and 168 kg of Cl/ha, respectively. Chloride application had no effect on plant potassium, sodium, calcium, magnesium, or phosphorus. These results suggest chloride application can elevate chloride content and lower DCAD values of alfalfa, and also maintain crop yield.
Application of fast SOCP based statistical sizing in the microprocessor design flow (2006)

In this paper we have applied statistical sizing in an industrial setting. Efficient implementation of the statistical sizing algorithm is achieved by utilizing a dedicated interior-point solution method. The new solution method is capable of solving a robust linear program, that is mapped onto a second-order conic program, an order of magnitude faster than the previously explored formulation. Our sizing algorithm is unique in that it represents variability in circuit delay analytically by formulating a robust linear program. The algorithm allows efficient and superior area minimization under statistically formulated timing yield constraints. In this paper, we also report the first use of statistical gate sizing in an industrial microprocessor design flow as a post-synthesis optimization step. Statistical delay models were generated for a 90nm CMOS standard cell library used in the design of an industrial low-power 32bit x86 microprocessor and practical issues related to iterative convergence were explored. When compared to the deterministic sizing, the area savings are 26% for the microprocessor module. The runtime of the algorithm is very low compared to existing statistical sizing methods, achieving an almost 15X speed-up, and scales as O(N1.5), where N is the circuit size.
Recognizing Contextual Polarity: An Exploration of Features for Phrase-Level Sentiment Analysis (2009)

Many approaches to automatic sentiment analysis begin with a large lexicon of words marked with their prior polarity (also called semantic orientation). However, the contextual polarity of the phrase in which a particular instance of a word appears may be quite different from the word's prior polarity. Positive words are used in phrases expressing negative sentiments, or vice versa. Also, quite often words that are positive or negative out of context are neutral in context, meaning they are not even being used to express a sentiment. The goal of this work is to automatically distinguish between prior and contextual polarity, with a focus on understanding which features are important for this task. Because an important aspect of the problem is identifying when polar terms are being used in neutral contexts, features for distinguishing between neutral and polar instances are evaluated, as well as features for distinguishing between positive and negative contextual polarity. The evaluation includes assessing the performance of features across multiple machine learning algorithms. For all learning algorithms except one, the combination of all features together gives the best performance. Another facet of the evaluation considers how the presence of neutral instances affects the performance of features for distinguishing between positive and negative polarity. These experiments show that the presence of neutral instances greatly degrades the performance of these features, and that perhaps the best way to improve performance across all polarity classes is to improve the system's ability to identify when an instance is neutral.
[Use of 99mTc-pyrophosphate and coronarography in the diagnosis of simultaneous myocardial infarct of the right and left cardiac ventricles]. (1993)

Myocardial scintigraphy was performed using 99m-Tc-pyrophosphate in 50 patients with suspected coexisting right ventricular and left inferior ventricular heart infarction and in 50 patients with left inferior ventricular infraction only. In all survived patients additional selective coronarography was performed and in all died patients autopsy was performed. The aim of the study was to evaluate reliability of myocardial scintigraphy using 99m-Tc-pyrophosphate in the diagnosis of coexisting infarction of both heart ventricles. In a group of patients with coexisting right and left ventricular infarction (45 proved by coronarography, and 5 by autopsy), scintigraphic finding was confirmed in 46 (93%) patients. In all 50 patients with left inferior ventricular infarction, scintigraphic finding was confirmed in 48 of them by coronarography and in 2 by autopsy (100%). Of 4 patients with false negative scintigraphic finding 2 were treated with fibrinolytic therapy immediately after admission and in 2 diffuse occlusive changes were found on all three blood vessels by coronarography. It has been concluded that myocardial scintigraphy using 99m-Tc-pyrophosphate is a very sensitive (92%), specific (100%), exact (96%), simple and safe diagnostical method in detecting coexisting acute infarction of both heart ventricles.
Characterization of high-spin metal-carbonyls in metal-organic frameworks with exposed cation sites (2014)

The metal-org. frameworks M2(dobdc) (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate, MOF-74, CPO-27) (M = Mg, Mn, Fe, Co, Ni, Zn) have shown considerable promise for a no. of gas storage and sepn. applications. These have included CO2/N2, CO2/H2, O2/N2, and paraffin/olefin sepns. and the storage of H2, CH4, or acetylene. The high volumetric and gravimetric densities of coordinatively unsatd. metal cation sites, a result of the high charge and compact nature of dobdc4-, endow these materials with adsorption selectivities and capacities not displayed by other metal-org. frameworks. Here we show carbon monoxide can reversibly bind to the 5-coordinate metal cations in M2(dobdc), resulting in the first crystallog. characterized magnesium and zinc carbonyl compds. and the first high-spin manganese(II), iron(II), cobalt(II), and nickel(II) carbonyls. These metal-carbonyl species have been characterized by gas adsorption isotherms, neutron powder diffraction, and IR spectroscopy. The reversible nature of CO binding to these materials suggests they may be useful for the purifn. of various carbon monoxide mixts. contg. N2, CH4, H2, or O2 impurities.
Interleukin-2, Interleukin-15, and Their Receptors (1998)

Both IL-15 and IL-2 are 14-15 kDa members of the four alpha-helical bundle family of cytokines that have T cell growth factor activity. In contrast to the pattern manifested by IL-2, IL-15 mRNA is produced by a wide variety of tissues other than T cells. We have demonstrated that IL-15 expression is posttranscriptionally regulated by multiple elements, including the ten upstream AUGs of the 5' UTR, a 48aa signal peptide and the carboxy-terminus of the mature protein. IL-15 utilizes two distinct receptor signaling pathways. In T cells the IL-15 receptor includes IL-2R beta and gamma c subunits shared with IL-2 as well as an IL-15 specific receptor, IL-15R alpha. However, mast cells respond to IL-15 using a receptor system that does not share elements with the IL-2R system but involves a novel 60-65 kDa IL-15RX subunit. In mast cells, IL-15 signaling involves JAK-2 and STAT-5 activation rather than the JAK-1 and JAK-3 as well as the STAT-3 and STAT-5 used by both IL-2 and IL-15 in activated T cells.
In Vitro Comparison of Three Desensitizing Prophylaxis Pastes: A (2015)

Background and Objective: Dentine hypersensitivity (DH) characterizes for short sharp pain arising from exposed dentine. Nowadays, there is a vast choice of products to overcome it. The aim of the present observational study was to compare the efficacy of three prophylaxis pastes in occluding dentinal tubules from in an in vitro setting. Methods: Longitudinal mesio-distal sections were obtained from a sample of ten extracted teeth. Morphological analysis with scanning electron microscopy (SEM) assessed the penetration of three different prophylaxis pastes in dentinal tubules: Nupro by GSK, Stomyprox by Biorepair, Colgate Pro-Sollievo. The use of the Energy Dispersive X-ray Analysis (EDX probe) allowed assessing the exact composition of each product. Results: The SEM analysis revealed that only Stomyprox by Biorepair could penetrate the dentinal tubule due to its low crystallinity. Its small sized particles (˜1.60 µ) fit better the tubules lumen if compared to the other two pastes with higher sized granules. The small sample size and the lacking of a quantitative evaluation of tubules filling limit this result. Conclusion: The occlusion of dentinal tubules is one of the possible ways to reduce dentine hypersensitivity in a professional setting. Small sized particles fit better the lumen of tubules. In conclusion, there is a biological rationale in preferring prophylaxis pastes characterized by a low crystallinity. It is worthy to investigate furthermore, and in a clinical setting, the efficacy of the prophylaxis paste made by small sized particles of Hydroxyapatite.
Influence of benzoflavone on aflatoxin B1-induced cytotoxicity, mutation, and transformation of C3H/10T1/2 cells. (1983)

Aflatoxin B1 (AFLB1), a metabolite of the fungus Aspergillus flavus, is hepatotoxic and hepatocarcinogenic in several animal species and is thought to play an etiological role in human liver cancer. C3H/10T1/2 clone 8 mouse embryo fibroblasts are killed, mutated, and morphologically transformed byAFLB1. 7,8-Benzoflavone, a known inhibitor of aryl hydrocarbon hydroxylase, inhibits this enzymatic activity in C3H/10T1/2 cells. Furthermore, benzoflavone inhibits the binding of AFLB1, to the DNA of C3H/10T1/2 cells. Benzoflavone also inhibits AFLB1-induced cytotoxicity and mutation of C3H/10T1/2 cells, as well as inhibiting the activation of AFLB1 into mutagenic metabolites capable of reverting the Ames Salmonella tester strain TA98. Interestingly, benzoflavone had no effect on the oncogenic transformation of these cells by AFLB1. Therefore, benzoflavone inhibits the DNA binding, cytotoxic, and mutagenic effects of AFLB1 but does not reduce the morphological transformation of C3H/10T1/2 cells by this mycotoxin.
p75 Neurotrophin Receptor Participates in the Choroidal Antiangiogenic and Apoptotic Effects of T-Lymphocyte–Derived Microparticles (2013)

We demonstrate for the first time to our knowledge that LMPs markedly inhibit choroidal angiogenesis via mechanisms that are dependent on the integrity of the RPE, and that are mediated largely by the PEDF and proapoptotic activities of p75NTR.
Long-Term Outcome After Radical Prostatectomy for Patients With Lymph Node Positive Prostate Cancer in the Prostate Specific Antigen Era (2007)

Radical prostatectomy may offer long-term survival to patients with lymph node positive prostate cancer. Gleason score, margin status, tumor ploidy and the number of involved nodes predict survival, while the role of adjuvant hormonal therapy continues to be defined.
Utilizing regular expressions for instance-based schema matching (2012)

Abstract. Statistical data consists mostly of numerical values, entries of codelists like country codes or acronyms for gender. Such values are typically described according to specific patterns. In this paper we present a novel approach for instance-based schema matching, where regular expressions are utilized for matching patterns of instance values. 1
Poly(ethylene imine) and Tetraethylenepentamine as Protecting Agents for Metallic Copper Nanoparticles (2009)

The aim of this research was to explore the use of amine-containing polymeric and low-molar-mass organic protecting agents in the preparation of copper nanoparticles. Particles were synthesized using poly(ethylene imine) (PEI) or tetraethylenepentamine (TEPA) as protecting agents. The resulting particles were studied with UV-vis spectrometry, thermogravimetry, scanning electron microscopy, and transmission electron microscopy, wide-angle X-ray scattering with heating, X-ray photoelectron spectroscopy, and Auger electron spectroscopy. The average crystal sizes for the particles were at room temperature 8.5 and 19.4 nm for PEI and TEPA, respectively, and some surface oxidation was observed. The particles were sintered on paper, and the resistance and resistivity were measured. For Cu/PEI samples, the protecting agent was removed upon sintering at relatively low temperatures (between 150 and 200 degrees C). At this temperature range, particles exhibited a rapid increase in the crystal size. Sintered particles exhibited high conductivity, indicating that these kinds of materials might find use in paper-based printing.
Performance Analysis of Heterogeneous Networks Based on SINR Selection Strategy (2013)

International audience
Preparation and Characterization of Me2O3−CeO2 (Me = B, Al, Ga, In) Mixed Oxide Catalysts. 2. Preparation by Sol−Gel Method (2008)

The present work focuses on the combination of ceria mixed with another oxide from group III, using the sol–gel method. B2O3− Al2O3− Ga2O3− or In2O3−CeO2 mixed oxides have been prepared in order to improve the catalytic properties of these materials. The structural, textural, and surface properties of these catalysts have been fully characterized by means of a variety of techniques (Brunauer−Emmett−Teller, BET; X-ray diffraction analysis, XRD; Raman; scanning electron microscopy, SEM; thermogravimetric analysis, TG; and temperature-programmed reduction/oxidation, TPR-TPO). The highest surface area was achieved for the Al2O3−CeO2 mixed oxide. Only the fluorite structure of CeO2 was observed by XRD for all prepared mixed oxides; the presence of oxygen vacancies was proven by Raman spectroscopy. The acid–base properties were estimated by the adsorption of probe molecules (NH3 and SO2); two methods, microcalorimetry and X-ray photoelectron spectroscopy (XPS), have been employed for that purpose. All investigated mixed oxides express surface amphoteric character; however, it seems that surface basicity is more pronounced than surface acidity. The surface bacisity, which is mainly of the Brönsted type, has been found as dependent on the character of the group III metal. Red-ox properties were investigated for the In2O3−CeO2 sample, the achieved degree of reduction being 34%. TPR/TPO experiments performed up to 830 °C irreversibly changed the morphology and the structure of the samples, leading to the crystallization of In2O3.
Overcoming degradation in organic photovoltaics: Illuminating the role of fullerene functionalization (2011)

Photobleaching rates are investigated for thin films of poly(3-hexylthiophene) (P3HT) blends employing either an indene-C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> bisadduct (ICBA) or [6,6]-phenyl-C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">61</sub> -butyric acid methyl ester (PCBM) as the electron acceptor. Relative to the bisindene, PCBM significantly enhances resistance to photobleaching of the P3HT donor polymer. We tentatively attribute a decrease in the charge transfer rate as the mechanism responsible for the more rapid photobleaching in the sample containing the bisindene adduct. In order to elucidate the influence of the photobleaching rate on the initial performance of unencapsulated devices, we also monitored the time-dependent behavior for P3HT:fullerene inverted devices. Under conditions of constant illumination, we observe essentially identical behavior in device performance parameters regardless of the energy levels of the electron acceptor. We conclude that over the time frame measured for these devices, the primary degradation mechanism of the active layer is independent of the electron acceptor, despite the enhanced tolerance to photobleaching it may impart to the donor material.
Magnetic Properties of Sm2Fe17Nx (1992)

Sm <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">17</sub> N <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">x</sub> (x=3), of purity 95 vol%, was obtained by nitrogenation of Sm <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">17</sub> alloy using a mixture of NH <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> (0.35 atm) and H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> (0,65 atm) gases. The saturation magnetization 4πI, was 15.5 kG, and the anisotropy field H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">a</sub> was found to be 220 kOe. Aligned Sm <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">17</sub> N <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> powders with an average grain size of 3 μm showed a (BH) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">max</sub> value of 35 MGOe, computed assuming that the powder was compressed to its true density, i.e. a 100% packing ratio. The effects of the presence of an unnitrogenated phase and an SmFe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> N <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">y</sub> phase on the magnetic properties of the compressed powder magnets are also discussed.
Property and Lighting Manipulations for Static Volume Stylization Using a Painting Metaphor (2014)

Although volumetric phenomena are important for realistic rendering and can even be a crucial component in the image, the artistic control of the volume's appearance is challenging. Appropriate tools to edit volume properties are missing, which can make it necessary to use simulation results directly. Alternatively, high-level modifications that are rarely intuitive, e.g., the tweaking of noise function parameters, can be utilized. Our work introduces a solution to stylize single-scattering volumetric effects in static volumes. Hereby, an artistic and intuitive control of emission, scattering and extinction becomes possible, while ensuring a smooth and coherent appearance when changing the viewpoint. Our method is based on tomographic reconstruction, which we link to the volumetric rendering equation. It analyzes a number of target views provided by the artist and adapts the volume properties to match the appearance for the given perspectives. Additionally, we describe how we can optimize for the environmental lighting to match a desired scene appearance, while keeping volume properties constant. Finally, both techniques can be combined. We demonstrate several use cases of our approach and illustrate its effectiveness.
Editorial: CD8+ T-cells in HIV/SIV infection, prophylaxis, and therapy (2023)

EDITORIAL article Front. Immunol., 21 February 2023Sec. T Cell Biology Volume 14 - 2023 | https://doi.org/10.3389/fimmu.2023.1159452
Building a Chatbot with Serverless Computing (2016)

Chatbots are emerging as the newest platform used by millions of consumers worldwide due in part to the commoditization of natural language services, which provide provide developers with many building blocks to create chatbots inexpensively. However, it is still difficult to build and deploy chatbots. Developers need to handle the coordination of the cognitive services to build the chatbot interface, integrate the chatbot with external services, and worry about extensibility, scalability, and maintenance. In this work, we present the architecture and prototype of a chatbot using a serverless platform, where developers compose stateless functions together to perform useful actions. We describe our serverless architecture based on function sequences, and how we used these functions to coordinate the cognitive microservices in the Watson Developer Cloud to allow the chatbot to interact with external services. The serverless model improves the extensibility of our chatbot, which currently supports 6 abilities: location based weather reports, jokes, date, reminders, and a simple music tutor.