Miracle-dz/UniFAR-FTUs huggingface dataset:
Extended tight‐binding quantum chemistry methods

This review covers a family of atomistic, mostly quantum chemistry (QC) based semiempirical methods for the fast and reasonably accurate description of large molecules in gas and condensed phase. The theory is derived from a density functional (DFT) perturbation expansion of the electron density in fluctuation terms to various orders similar to the original density functional tight binding model. The term “eXtended” in their name (xTB) emphasizes the parameter availability for almost the entire periodic table of elements (Z ≤ 86) and improvements of the underlying theory regarding, for example, the atomic orbital basis set, the level of multipole approximation and the treatment of the important electrostatic and dispersion interactions. A common feature of most members is their consistent parameterization on accurate gas phase theoretical reference data for geometries, vibrational frequencies and noncovalent interactions, which are the primary properties of interest in typical applications to systems composed of up to a few thousand atoms. Further specialized versions were developed for the description of electronic spectra and corresponding response properties. Besides a provided common theoretical background with some important implementation details in the efficient and free xtb program, various benchmarks for structural and thermochemical properties including (transition‐)metal systems are discussed. The review is completed by recent extensions of the model to the force‐field (FF) level as well as its application to solids under periodic boundary conditions. The general applicability together with the excellent cost‐accuracy ratio and the high robustness make the xTB family of methods very attractive for various fields of computer‐aided chemical research.
Edge-Event-Triggered Synchronization for Multi-Agent Systems with Nonlinear Controller Outputs

This paper addresses the synchronization problem of multi-agent systems with nonlinear controller outputs via event-triggered control, in which the combined edge state information is utilized, and all controller outputs are nonlinear to describe their inherent nonlinear characteristics and the effects of data transmission in digital communication networks. First, an edge-event-triggered policy is proposed to implement intermittent controller updates without Zeno behavior. Then, an edge-self-triggered solution is further investigated to achieve discontinuous monitoring of sensors. Compared with the previous event-triggered mechanisms, our policy design considers the controller output nonlinearities. Furthermore, the system’s inherent nonlinear characteristics and networked data transmission effects are combined in a unified framework. Numerical simulations demonstrate the effectiveness of our theoretical results.
Spectral Colour Characteristic’s (Red, Green, Blue) of Sick Acacia Mangium Stand

Forest protection management are important activities and integrated from the forest resource management system. One of the activities in forest protection is evaluating stand health in a particular forest region. These activities are important because it helps decision making to perform sustainable forest management. Evaluating stand health on a bigger scale needs more cost, time, and manpower. To overcome this obstacle, there is a need for supporting technology. The technology also needs to suffice within the development of remote sensing. flying drones is a suitable technology that could evaluate stand health. This research has the goal to determine the spectral characteristics of A.mangium leaf in order to identify the area and position of sick trees. This research is executed in A.mangium stand at KPH Bogor. The method that is being used is hyperspectral imaging analysis to determine the characteristic of RGB (Red,Green,Blue). Spectral analysis is sampled from 85 trees on 7 plot at site 23B RPH Maribaya BKPH Parung Panjang KPH Bogor using simple random sampling. The result of this research shows that trees in healthy condition, sick condition, and the dead condition has different spectral RGB value. RGB value for healthy trees is 121-149(B1),167-189(B2), 120-142(B3). For sick trees the RGB value is 151-165(B1), 183-205(B2), 145-165(B3). For dead trees the RGB values are 192-202(B1), 202-212(B2), 167-199(B3). As trees condition worsen, the RGB value increases. The pattern of RGB band composition is similar but has different values. This indicates the changing process of leaf color from healthy to sick. On the other hand the interval of RGB band is small enough to notice there is a difference in the color of the tree’s status. This research shows that spectral analysis from drone image could be used to analyze forest’s stand health
Theoretical efficiency limit of graphene-semiconductor solar cells

The maximum power conversion efficiency (PCE) of graphene-semiconductor solar cells (GSSCs) is calculated with regard to the universal scaling laws of thermionic emission across graphene/3D-semiconductor Schottky junctions. The performance of GSSCs as a function of the interface Schottky barrier height and the bandgap of semiconductor (Eg) is investigated. Under ideal conditions, these photovoltaic cells reveal a broad maximum at E g = 1.1 – 1.7 eV with PCE exceeding 25%. The efficiency limits of graphene/silicon and graphene/GaAs solar cells are determined to be 25.5% and 27.5%, respectively. The effect of environmental temperature on the solar cell performance is also investigated, and it is found that to a good degree, the PCE of GSSCs varies linearly with temperature. The thermal coefficients of PCE for graphene/silicon and graphene/GaAs solar cells are obtained to be −0.076%/K and −0.058%/K, respectively. This study is of fundamental importance for GSSCs and provides insights for further improvements.
Appraising Minimum Effect of Standardized Contrasts in ANCOVA Designs: Statistical Power, Sample Size, and Covariate Imbalance Considerations

Abstract The concepts and implementation of standardized mean differences and minimum effect tests have been emphasized in ANOVA. The corresponding processes and implications are, however, not yet well explicated in the context of ANCOVA. To enhance the usefulness of ANCOVA, this article describes the minimum effect tests of standardized contrast as a valuable alternative to the hypothesis testing of no effect difference and the conventional evaluation of unstandardized effects in ANCOVA. Power and sample size procedures are developed to accommodate covariate randomness and imbalance for randomized and nonrandomized designs. The data from a clinical study of comparing two treatments for gingivitis are used to illustrate the application of the suggested approaches. The emphases of numerical appraisal are on the merit of minimum effect detection in comparative analysis and the influence of covariate feature in power and sample size computation. The proposed power and sample size calculations improve upon approximate formulas by fully accounting for the stochastic property and intrinsic disparity of the covariate variables. Computer algorithms are available for calculating the p-value, power level, and sample size of one- and two-sided minimum effect tests.
7Be, 210Pbatm and 137Cs in Snow Deposits in the Arctic Part of Western Siberia (Yamal-Nenets Autonomous District)

Radioactive isotopes (7Be, 210Pbatm and 137Cs) are used as indicators of processes associated with the transfer of matter from the atmosphere. Studying snow cover can provide information about the seasonal deposition flux of the isotopes to the Earth’s surface over the entire period of snow accumulation. The purpose of this study is to identify the features of 7Be, 210Pbatm and 137Cs deposition with the atmospheric precipitation in winter in the Arctic part of Western Siberia and to study the contribution of the particulate fractions of suspended matter in snow water to the total content of the radionuclides in samples of integrated seasonal snowfall. Snow samples were taken over a wide area along the highways around Novy Urengoy in April 2019. The suspended matter in snow samples was divided into three fractions. The isotopic composition was determined by high-resolution semiconductor gamma-spectrometry. The seasonal deposition flux of 7Be and 210Pbatm in the winter at the time of sampling averaged 58.7 and 25.2 Bq m−2 season−1, respectively. The average specific activity of 7Be and 210Pbatm in the snow water was 248.0 and 104.5 mBq L−1. The deposition flux of 137Cs from the atmosphere was low compared to 7Be and 210Pbatm and did not exceed 0.39 Bq m−2 season−1 at all sampling points. This indicates an insignificant modern flux of the radionuclide from the atmosphere. The separation of suspended matter in snow water by particulate fractions shows that the studied isotopes are present in all the extracted fractions: >3, 0.45–3 and <0.45 μm. The main part of 210Pbatm in all studied samples is in the coarse-grained fraction >3 μm. Most 7Be is contained in finely dispersed aerosols, colloids, or a dissolved component (where the fraction <0.45 μm). A significant increase in the contribution of coarse-grained fractions of suspended matter in snow water to the total activity of 7Be in snow precipitation was observed in territories with a higher anthropogenic impact.
Methods for object recognition and classification for tele-controlled service robots

The need of personal service robots has been increased in the past several years. The tasks assigned to the robots vary in complexity and degree of freedom. In order to assist senior citizens and people with disabilities with their day to day tasks, a greater degree of freedom is required – more autonomy, ability to fulfil more complex tasks and easier for use human-machine interface. In this paper we show some of the methods that can be implemented in personal service robots for object recognition and classification in order to achieve greater autonomy, hence greater degree of freedom.
Prospective phase 2 trial of ixazomib after nonmyeloablative haploidentical peripheral blood stem cell transplant.

Proteasome inhibition results in extensive immunomodulatory effects that augment natural killer cell cytotoxicity and inhibit aspects of T-cell, B-cell, and dendritic cell function. We performed a phase 2 study that examined the effects of ixazomib for graft-versus-host disease (GVHD) prophylaxis (up to 12 cycles) with posttransplant cyclophosphamide and tacrolimus after standard nonmyeloablative haploidentical donor transplantation (HIDT). Ixazomib was started on day +5 (4 mg on days 1, 8, and 15 of a 28-day cycle), with dose reductions allowed in future cycles for toxicity. All patients received peripheral blood stem cells. Twenty-five patients were enrolled with a median age of 62 years (range, 35-77 years) who had acute leukemia (4), myelodysplastic syndrome (7), non-Hodgkin lymphoma/Hodgkin lymphoma/chronic lymphocytic leukemia (8), and myeloma (6). The hematopoietic cell transplant comorbidity index was ≥3 in 68% of the patients. After a median follow-up of 33.5 months, the cumulative incidence of relapse/progression at 1 year was 24% and 44% at 3 years, which failed to meet the statistically predefined goal of decreasing 1-year risk of relapse. Engraftment occurred in all patients with no secondary graft failure, and 3-year nonrelapse mortality (NRM) was 12%. Cumulative incidence of grade 3 to 4 acute GVHD was 8%, whereas moderate-to-severe chronic GVHD occurred in 19%. Nineteen patients survive with an estimated 1-year overall survival (OS) of 84% and 3-year OS of 74%. Hematologic and cutaneous toxicities were common but manageable. The substitution of ixazomib for mycophenolate mofetil (MMF) post-HIDT results in reliable engraftment, comparable rates of clinically significant GVHD, relapse and NRM, and favorable OS. This trial was registered at www.clinicaltrials. gov as # NCT02169791.
Salivary flow, amylase, and total protein in hospitalized patients with HIV infection / AIDS complications

Abstract Background Saliva is a complex secretion produced daily by the salivary glands. Saliva consists mainly of water, enzymes, ions and amino acids and performs several important functions in oral health. Objective The aim of this study was to investigate the flow rate and concentrations of amylase and total proteins in the saliva of hospitalized patients due to AIDS complications. Methods Ninety-three men and women (20–64 years of age) were divided into two groups (46 HIV-infected patients and 47 controls) and had salivary flow rate and levels of amylase enzyme and total proteins evaluated. Result The mean salivary flow rate was lower in individuals with HIV when compared to controls (P < 0.05). No significant difference between amylase enzyme levels and total proteins were observed in the saliva of patients with HIV infection when compared to controls. Conclusion Individuals with HIV / AIDS infection (in hospital treatment) suffer no interference in levels of amylase and total salivary proteins, but they have significantly reduced salivary flow.
IMPACT OF WALL SUPPORT CONDITIONS ON SEISMIC RESPONSE OF GROUND-SUPPORTED REINFORCED CONCRETE CONTAINMENT TANKS

Concrete liquid storage tanks are commonly used in regions that may be highly seismic, for the storage of water, petroleum products and other chemicals. In some cases, such as for liquefied natural gas (LNG) tanks, a secondary concrete containment is designed for external protection, ignoring any direct contact or interaction with the inner storage liquid by creating a gap, as another inner tank is used to hold the liquid. Typical secondary containment tanks for LNG are circular, upright concrete tanks, with fixed roofs, while the support wall conditions at its base can be hinged or fixed. In this study, the nonlinear behavior of ground supported circular reinforced concrete containment tank under the effect of the seismic loads is investigated for both hinged and fixed wall support conditions. A threedimensional finite element model considering material nonlinearities was included. In particular, the Concrete Damage Plasticity (CDP) model, capturing the possible tensile cracking and compressive crushing of the concrete containment systems under seismic loads was adopted. By adopting time history analyses, deformation and stresses developed in the tank were assessed when subjected to large earthquakes, namely the 1994 Northridge and 1995 Kobe earthquakes, while frequency domain analyses were also conducted, to obtain the natural period and mode shapes for different wall support conditions. The results showed that in the hinged tank, the walls experience higher structural responses (in terms of shear force and bending moment); compared with the fixed tank, particularly around the mid-height zone of the tank wall. Conversely, at the base of the fixed tank, shear forces and bending moments were higher, compared with the hinged tank’s base. Under the effects of large earthquakes, both tanks experienced damage, yet larger seismic forces upon a hinged tank could potentially create more damage.
Charm Offensive or Offensive Charm? An Analysis of Russian and Chinese Cultural Institutes Abroad

Abstract Major powers have long used cultural institutes to enhance their appeal in foreign countries. As aspirant powers, Russia and China have recently launched cultural institutes of their own with the aim of improving their international reputations. However, the location and operations of the Confucius Institutes and Russkiy Mir Institutes often seem to run counter to these aims. Drawing on policy diffusion theory (PDT), we argue that these choices are less the product of strategic calculation than of policy emulation and decoupling. Using a mixed methods approach, we show that, while the Confucius Institutes and Russkiy Mir Institutes were modelled after their Western counterparts (emulation), China and Russia have operated their institutes in ways that go against the principles of cultural diplomacy (decoupling). An analysis of field research on these institutes suggests more overall decoupling with Confucius Institutes than with Russkiy Mir Institutes, which might help account for the relatively greater backlash against the Confucius Institutes in their host countries.
Characteristics and genesis of carbonate rocks’ hydrothermal dissolution in Laiwu Basin, Shandong Province, China

Through analysing the chemical composition of rock samples, investigating of hydrogeological points and hydrothermal dissolution geological points, the characteristics and mechanism of hydrothermal dissolution in Laiwu Basin were studied. The results show that the high temperature and high pressure magma intrusions resulted in hydrothermal metamorphic marbling of carbonate rocks in the contact zone. Hydrothermal fluids migrating along permeable faults, fractures can cause acidic hydrothermal dissolution and mixed dissolution in carbonate formation and formed dissolution cavities of different scales. The cavities are constituting groundwater enrichment space at present.
A COMPARATIVE STUDY OF TRANSPORTATION PROBLEM BY GRAPH THEORETICAL ALGORITHMS

A BSTRACT . Graphs are used as a tool for modeling and description of real life network systems which are, transport, electricity, internet, social network etc. The content of these areas may differ but they have common features in certain items between them. In this paper, we have compared the results of the different algorithms for the transportation problem which has considered as network model which is also solved using Path labeling algorithm, and it provides the shortest transportation cost and also the possible number of shortest paths from the initial vertices.
Low temperature coefficient and low line sensitivity subthreshold curvature‐compensated voltage reference

A high‐order curvature‐compensated subthreshold voltage reference is proposed in this paper. The proposed curvature‐compensated voltage reference consists of two supply‐independent first‐order voltage references and a curvature compensation circuit. The supply‐independent first‐order voltage reference uses a negative feedback loop which improves the line sensitivity and eliminates the demand of operational amplifier, whereas the curvature compensation circuit provides high‐order temperature‐compensated output reference voltage. The proposed curvature‐compensated voltage reference provides an output reference voltage of 118.54 mV with a temperature coefficient of 21.5 ppm/°C over a wide temperature range of −60°C to 120°C. The power supply rejection ratio and line sensitivity are observed as −68.64 dB (for the frequency range of 1 Hz to 100 Hz) and 0.035%/V (for the supply voltage varies from 0.85 V to 2.5 V), respectively. The values of output noise at the frequencies of 1 kHz and 10 kHz without using any capacitive filter are obtained as 179.13 nV/ √ Hz and 123.87 nV/ √ Hz, respectively.
An Introduction to Probabilistic Record Linkage

Since its post-World War II inception, the science of record linkage has grown exponentially and is used across industrial, governmental, and academic agencies. The academic fields that rely on record linkage are diverse, ranging from history to public health to demography. In this paper, we introduce the different types of data linkage and give a historical context to their development. We then introduce the three types of underlying models for probabilistic record linkage: Fellegi-Sunter based methods, machine learning methods, and Bayesian methods. Practical considerations such as data standardization and privacy concerns are then discussed. Finally, recommendations are given for organizations developing or maintaining record linkage programs, with an emphasis on organizations measuring long-term complications of disasters such as 9/11.
A Semi-Supervised Multi-Spike Learning Algorithm for Deep Spiking Neural Networks

The deep spiking neural network (DSNN) model contains a mass of parameters, a high-performance deep model depends on a huge quantity of labeled data for solving specific problems, but collecting these labeled data is time-consuming and costly. Semi-supervised learning methods can overcome these difficulties by the unlabeled and labeled data. This paper proposes a semi-supervised multi-spike learning algorithm for DSNNs, in which the unsupervised learning rule based on spike timing-dependent plasticity is applied to adjust the synaptic weights through the unlabeled data, and the supervised learning rule based on broadcast alignment mechanism is applied to update the network weights through the labeled data. Applying spike train to encode image data, the proposed algorithm is validated on the MNIST digital image benchmark dataset. Compared with supervised learning using the labeled data, experiments indicate that the comparable classification accuracy can be achieved by the proposed semi-supervised method in DSNNs.
A Review of Renewable Energy Options, Applications, Facilitating Technologies and Recent Developments

A critical overview of renewable energy is provided, including descriptions of renewable energy sources, technologies, assessments, comparisons and planning as well as energy technologies that facilitate renewable energy sources. The renewable energy types considered include solar, wind, geothermal, bioenergy and waste-derived energy, ocean thermal energy, tidal, wave and hydraulic. Also covered for contextual and broader purposes are energy systems more generally and their sustainability. In addition, recent research on new renewable energy sources as well as important recent developments in renewable energy are considered.
Robust Parking Block Segmentation from a Surveillance Camera Perspective

Parking block regions host dangerous behaviors that can be detected from a surveillance camera perspective. However, these regions are often occluded, subject to ground bumpiness or steep slopes, and thus they are hard to segment. Firstly, the paper proposes a pyramidal solution that takes advantage of satellite views of the same scene, based on a deep Convolutional Neural Network (CNN). Training a CNN from the surveillance camera perspective is rather impossible due to the combinatory explosion generated by multiple point-of-views. However, CNNs showed great promise on previous works over satellite images. Secondly, even though there are many datasets for occupancy detection in parking lots, none of them were designed to tackle the parking block segmentation problem directly. Given the lack of a suitable dataset, we also propose APKLOT, a dataset of roughly 7000 polygons for segmenting parking blocks from the satellite perspective and from the camera perspective. Moreover, our method achieves more than 50% intersection over union (IoU) in all the testing sets, that is, at both the satellite view and the camera view.
A Ku-Band GaAs Multifunction Transmitter and Receiver Chipset

This paper presents a Ku-band monolithic multifunction transmitter and receiver chipset fabricated in 0.25-μm GaAs pseudomorphic high-electron mobility transistor technology. The chipset achieves a high level of integration, including a 4-bit 360° digital phase shifter, 5-bit 15.5-dB digital attenuator, amplifier and 9-bit digital serial-to-parallel converter for digital circuit control. Since the multifunction chipset includes a medium power amplifier and a low-noise amplifier, it features high P1dB and low noise figures over the full Ku-band frequencies. The multifunction transmitter shows a peak gain of 16.5 dB with output P1dB of 19.2 dBm at 15 GHz. The multifunction receiver shows a peak gain of 17.3 dB with noise figure of 2.5 dB at 15 GHz. The attenuation range is 15.5 dB with a step of 0.5 dB and the phase shift range is 360° with a step of 22.5°. Each chip area of the transmitter and receiver is 4.2 × 2.8 mm2.