Miracle-dz/UniFAR-FTUs huggingface dataset:
Triplet-Tuning: A Novel Non-Empirical Construction Scheme of Exchange Functionals

In the framework of density functional theory (DFT), the lowest triplet excitation energies, E{_T}, can be evaluated using multiple formulations, the most straightforward of which are unrestricted ground state DFT (UDFT) and time-dependent DFT (TDDFT). Assuming the exact exchange-correlation (XC) functional is applied, both formulations should provide identical values for E{_T}, which is a constraint that approximate XC functionals should obey. However, this condition is not satisfied by most commonly used XC functionals, resulting in inaccurate predictions of low-lying, photochemically important excited states, such as the lowest triplet (T{_1}) and singlet (S{_1}) excited states. In the present study, we propose a novel and non-empirical prescription to approximate the exact XC functional, referred to as "triplet tuning", by enforcing the aforementioned agreement of E{_T} between UDFT and TDDFT. This scheme allows us to construct the XC functional on a case-by-case basis using the molecular structure as the exclusive input, without fitting to any experimental data. The first triplet-tuned XC functional, TT-{\omega}PBEh, is formulated as a long-range-corrected (LRC) hybrid and tested on four test sets of large organic molecules. TT-{\omega}PBEh manages to provide more accurate predictions for key observables in photochemical measurements, including but not limited to E{_T}, optical band gaps (E{_S}), singlet-triplet gaps ({\Delta}E{_ST}), and ionization potentials (I). This promising triplet tuning scheme can be applied to a wide range of systems, as it adjusts the effective electron-hole interactions to arrive at the correct excitation energies.
ChangeChip: A Reference-Based Unsupervised Change Detection for PCB Defect Detection

The usage of electronic devices increases, and becomes predominant in most aspects of life. Surface Mount Technology (SMT) is the most common industrial method for manufacturing electric devices in which electrical components are mounted directly onto the surface of a Printed Circuit Board (PCB). Although the expansion of electronic devices affects our lives in a productive way, failures or defects in the manufacturing procedure of those devices might also be counterproductive and even harmful in some cases. It is therefore desired and sometimes crucial to ensure zero-defect quality in electronic devices and their production. While traditional Image Processing (IP) techniques are not sufficient to produce a complete solution, other promising methods like Deep Learning (DL) might also be challenging for PCB inspection, mainly because such methods require big adequate datasets which are missing, not available or not updated in the rapidly growing field of PCBs. Thus, PCB inspection is conventionally performed manually by human experts. Unsupervised Learning (UL) methods may potentially be suitable for PCB inspection, having learning capabilities on the one hand, while not relying on large datasets on the other. In this paper, we introduce ChangeChip, an automated and integrated change detection system for defect detection in PCBs, from soldering defects to missing or misaligned electronic elements, based on Computer Vision (CV) and UL. We achieve good quality defect detection by applying an unsupervised change detection between images of a golden PCB (reference) and the inspected PCB under various setting. In this work, we also present CD-PCB, a synthesized labeled dataset of 20 pairs of PCB images for evaluation of defect detection algorithms. The sources of ChangeChip, as well as CD-PCB, are available at: https://github.com/Scientific-Computing-Lab-NRCN/ChangeChip.
Profil Kawasan Reboisasi Mangrove Kepulauan Seribu Berdasarkan Karakteristik Lingkungan dan Fauna Makrobentik Terkait

Fauna makrobentik sering digunakan sebagai bioindikator kualitas lingkungan dan informasi tentang karakteristik lingkungan maupun keberadaan fauna makrobentik di kawasan reboisasi mangrove masih sangat terbatas. Kajian profil kawasan reboisasi mangrove Kepulauan Seribu berdasarkan karakteristik lingkungan dan fauna makrobentiknya telah dilakukan pada bulan Maret 2014. Kajian ini bertujuan untuk mengetahui kondisi ekologi perairan di sekitar kawasan reboisasi mangrove Kepulauan Seribu. Untuk mengetahui keterkaitan karakteristik lingkungan dan fauna makrobentik dengan stasiun pengamatan dilakukan dengan statistik Correspondence Analysis (CA), sedangkan karakteristik lingkungan penentu fauna makrobentik serta hubungannya dilakukan dengan statistik Principal Component Analysis (PCA) dan regresi linier sederhana. Hasil kajian memperlihatkan bahwa konsentrasi karakteristik lingkungan yang diukur tidak begitu berbeda antar stasiun dan tidak melebihi ambang baku mutu untuk kehidupan biota laut. Selanjutnya fauna makrobentik yang ditemukan terdiri dari 6 spesies dengan kepadatan tertingginya berada di Stasiun 3 (05.00 ind/m2) dan terendahnya di Stasiun 1 (02.00 ind/m2). Pada Stasiun 1 konsentrasi pH dan suhunya sangat tinggi, sedangkan Stasiun 2 dan 3 konsentrasi salinitasnya yang tinggi. Fauna makrobentik Atilia (Columbella) scripta, Metopograpsus latifrons, Littoraria scabra, Saccostrea cucculata dan Cardisoma carnifex dapat berasosiasi dengan mangrove di semua stasiun. Selain itu, karakteristik lingkungan yang menentukan keberadaan fauna makrobentik C. carnifex adalah parameter pH, dimana semakin tinggi konsentrasi pH, maka kepadatan C. carnifex semakin menurun. Selain itu, karakteristik lingkungan yang menentukan keberadaan fauna makrobentik S. cucculata, M. latifrons dan A. scripta ditentukan oleh parameter DO dan salinitas yakni semakin rendah konsentrasi DO dan salinitas, maka kepadatan S. cucculata, M. latifrons maupun A. scripta akan semakin tinggi.
The first results of the biological control of Ips sexdentatus using Thanasimus formicarius in Ukraine

Introduction Recently, in pine forests of many regions, the outbreak of bark beetles, particularly Ips sexdentatus (B? rner, 1776) (Coleoptera: Curculionidae: Scolytinae) have been registered. Prevention of outbreaks and decrease of the negative consequences for forest can be achieved by the use of fertilizers, insecticides, and entomophages. Thanasimus formicarius (Linnaeus 1758) (Coleoptera: Cleridae) is a predator of many coleopterous species. The aim of the research was to evaluate the first results of the release of Th. formicarius into the foci of bark beetles. Materials and Methods The study was carried out in the foci of bark beetles in Kharkiv, Sumy, and Chernigiv regions. The larvae of Th. formicarius were reared in the State Specialized Forest Protection Enterprise ‘Kharkivlisozahyst’. After that, they were moved to the forest and released. The experiment was carried out with five variants of application the fertilizer and predator, one variant of predator release without fertilizer, one variant of the fertilizer ‘Iaros’ treatment without predator release, and one variant without any treatment. The control plots were of three types: K-1 – release of predator larvae without applying a fertilizer; K-2 – treatment with fertilizer without the release of predator; K-3 – without treatment with fertilizer and without the release of predator. The change in the health condition of trees and bark beetles’ survival were the criteria for evaluating the treatment effectiveness. Results and Conclusions The efficiency of different combinations of treatment with fertilizer and the release of the predator, evaluated by the change of the health condition of viable trees, was from 14.7 to 28.3%. According to the 2020 assessment, the density of larval galleries of the bark beetle decreased in all plots compared to 2018. The more rapid collapse of bark beetle outbreak as compared to the control was registered for the plots with predator release. The release of the predator along with the use of mineral fertilizer by spraying the crowns provided a more significant improvement in the stand health condition and a decrease in the viability of the bark beetle populations than the only predator release.
Characterizing the transcriptional expression and in situ localization of the Dnmt2 gene in Drosophila willistoni

Background: Organisms that have only the DNA methyltransferase 2 (Dnmt2) to mediate the DNA methylation are called "Dnmt2-only" and they have been investigated in recent surveys. Drosophila is one of the “Dnmt2-only” organisms and is also an ideal model for Dnmt2 research. However, the biological function of the Dnmt2 protein is still uncertain. Some studies have pointed to a putative role during the early stages of invertebrate development. In this work, we present our findings on the Dnmt2 expression in D. willistoni, a neotropical species of large ecological versatility and peculiar molecular features. Results: By RT-PCR and in situ hybridization we demonstrate here the presence of transcripts not only in the early stages of development, but also during the oogenesis. Using qPCR analysis, we verify that Dnmt2 transcription level is higher during early stages of development, though transcription levels are subtly higher in D. willistoni adults than in D. melanogaster levels found in previous studies. We also mapped the Dnmt2 on the IIL chromosome arm (Muller’s B element) of D. willistoni, near at the end of the singular telomeric region. Conclusions: Our findings give insights on the possible biological function of Dnmt2-related processes associated with the development and differentiation of oocytes since germinative tissue formation seems to require a higher expression of Dnmt2. The Dnmt2 localization in the subtelomeric region brings up a series of issues that involve the peculiar characteristics of D. willistoni Dnmt2 enzyme, like evolutionary patterns and the epigenetic phenomena of sex-specific methylation.
The application of Social Exchange Theory in tourism research: a critical thinking

Social Exchange Theory research in the field of tourism has accumulated some achievements. It is a very widely used theory in tourism research. It is widely used in residents' support, forecasting future tourism development and other issues, and has strong explanatory power. However, as an important academic school of sociology, social exchange theory has a long history of development and theoretical connotation, not just two simple concepts of cost and benefit. Early researchers simplified the social exchange theory as cost and benefit, which is convenient for quantitative research. With the deepening of the research, there are some phenomena in the field of tourism that can't be explained by the social exchange theory, and the social exchange theory can't accurately explain some complex problems. There are some problems in the use of social exchange theory and research methods in tourism academia, which leads to the lack of theoretical contribution in related research. This paper attempts to trace the origin of social exchange theory in the field of tourism, analyze various research methods and scales, and critically reflect on the problems existing in the research of social exchange theory in the field of tourism. The research in the field of tourism simplifies the social exchange theory, but the social exchange theory has a complex and huge theoretical background and foundation. In the tourism research, we find out the parts that are easy to quantify, and ignore some other parts that have explanatory power in the field of tourism. The cost-benefit model commonly used by researchers is convenient for quantitative explanation of some phenomena in the field of tourism and helps to explain many phenomena. However, the existing research framework and models are oversimplified and misused, ignoring the original rich connotation of social exchange theory, such as some important variables and principles, and even being mistaken for only the connotation of cost and benefit. In the future, tourism research should clarify the theoretical basis, theoretical source and theoretical connotation of social exchange theory, adhere to the problem oriented research design, avoid following others' advice, and ignore other explanatory parts of social exchange theory in the field of tourism. Social exchange theory is a rich theoretical mine, and there are many contents that can be mined. In the future, we should bring the contents previously ignored for research into the research framework and research model, so as to improve the explanatory power of social exchange theory on complex tourism phenomena.
Distance Vector Based Detection of Node Replication Attacks in Wireless Sensor Networks

2 Abstract: Wireless sensor networks have been researched extensively over the past few years. It was initially used by the military for surveillance purposes and has since expanded into industrial and civilian uses such as weather, pollution, traffic control, healthcare applications etc. Wireless sensor networks (WSNs) use small nodes called motes with constrained capabilities to sense, collect and disseminate information in many types of applications. As sensor networks become wide-spread, security issues become a central concern, especially in mission-critical tasks. When WSN are deployed in a hostile terrain environment, security becomes extremely important, as they are prone to different types of malicious attacks. Due to the poor physical protection of sensor nodes, it is generally assumed that an adversary can capture and compromise a small number of sensors in the network. In a node replication attack, an adversary can take advantage of the credentials of a compromised node to secretly introduce replicas of that node into the network. Without an effective and efficient detection mechanism, these replicas can be used to launch a variety of attacks that undermine many sensor applications and protocols. In this paper we present a distance vector based detection of node replication attacks instead of location based detection and other detection mechanisms proposed earlier for static sensor networks and also conclude that node replication attacks happen in physical and data link layer levels. The efficiency and security of our approach are also evaluated both theoretically and via simulation.
An unequal clustering algorithm based on energy balance for wireless sensor networks

Sensor nodes in sensor networks often gather data and deliver them to the sink. However, the energy and radio range constraints force them to cooperate in transmitting the data to the destination with multihop communication. To achieve this, nodes have to be clustered and some of them are elected as the cluster head nodes to transmit the aggregated data. Unfortunately, the clustering brings extra traffic load to the cluster head nodes, particularly those closer to the sink. These nodes die faster than before as their energy is drained at a high rate. Therefore, some clustering and cluster head election algorithms were suggested to use the unequal clustering size to extend the lifetime of cluster head nodes. However, it is difficult to obtain the accurate cluster size in the process of unequal clustering. Moreover, some cluster head nodes with the overfull cluster members may die early. We propose an enhanced unequal clustering size algorithm to optimize the unequal cluster size in the different layers and balance the dissipation energy of all cluster head nodes. Simulation results show that our algorithm dissipates approximately the same energy of cluster head nodes in the different layers per round and obviously increases the number of rounds of data gathering and transmission. © 2012 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Accuracy Enhancement of Parameter Estimation and Sensorless Algorithms Based on Current Shaping

Dead time is typically incorporated in voltage source inverter systems to prevent short circuit cases. However, dead time causes an error between the output voltage and reference voltage. Hence, voltage equation-based algorithms, such as motor parameter estimation and back electromotive force (EMF)-based sensorless algorithms, are prone to estimation errors. Several dead-time compensation methods have been developed to reduce output voltage errors. However, voltage errors are still common in zero current crossing areas, and an effect of the error is much worse in a low speed region. Therefore, employing voltage equation-based algorithms in low speed regions is difficult. This study analyzes the conventional dead-time compensation method and output voltage errors in low speed operation areas. A current shaping method that can reduce output voltage errors is also proposed. Experimental results prove that the proposed method reduces voltage errors and improves the accuracy of the parameter estimation method and the performance of the back EMF-based sensorless algorithm.
Evidence of Warming From Long-Term Records of Climate and Permafrost in the Hinterland of the Qinghai–Tibet Plateau

The Qinghai–Tibet Plateau (QTP) is characterized by its extreme climate and dominated by periglacial processes. Permafrost conditions vary greatly, and the recent changes on the QTP are not well known in the hinterland. Here, we examine the changes in climate and permafrost temperatures in several different regions. Climate data were obtained from three weather stations from 1957 to 2019. Annual mean air temperature (Ta) has gradually increased at . 031°C/yr–. 039°C/yr. Climate warming has been more rapid in the past two decades, particularly during the cold season (November to February). Precipitation has also been slowly increasing during the instrumental record. However, there is pronounced heterogeneity in the seasonal distribution of precipitation, with very little falling between October and April. Ground temperatures and active-layer thickness (ALT) have been investigated over ∼20 years at five sites representative of the hinterland of the QTP. These sites are located along the Qinghai–Tibet Highway, which crosses the permafrost zone and traverses the mountainous area and basin areas. Annual mean ground temperatures within the active layer (Tal ∼ 1 m depth) indicate recent ground warming at all sites, at rates near . 05°C/yr. The ALT at five sites has been increasing steadily by 2–9 cm/yr, with an average of 4.6 cm/yr. The temperature near the permafrost table (Tps) has been increasing at . 01°C/yr and . 06°C/yr, with an average of . 03°C/yr. Permafrost temperatures at 15 m depth (Tg) have been increasing by about . 01°C/yr–. 02°C/yr. The southern boundary (AD site) of the permafrost has warmed the least among the five locations. In high mountainous areas where permafrost temperatures are low (e.g., KLS site), the annual mean Tg has increased by nearly . 02°C/yr. The rate of permafrost warming at a basin site (BLH), with relatively high ground temperatures, was approximately . 01°C/yr. The GIPL2.0 model simulation results indicate that the annual mean permafrost temperature at 1 m depth at these sites will increase by . 6°C–1.8°C in the next 100 years (to 2100) and that ALT will increase by ∼40–100 cm. We also discuss the impacts of permafrost changes on the environment and infrastructure on the QTP. This study provides useful information to understand observed and anticipated permafrost changes in this region, under different shared socioeconomic pathways, which will allow engineers to develop adaptation measures.
Evidence of Genomic Diversification in a Natural Symbiotic Population Within Its Host

Planktonic cells of the luminous marine bacterium Vibrio fischeri establish themselves in the light-emitting organ of each generation of newly hatched Euprymna scolopes bobtail squid. A symbiont population is maintained within the 6 separated crypts of the organ for the ∼9-month life of the host. In the wild, the initial colonization step is typically accomplished by a handful of planktonic V. fischeri cells, leading to a species-specific, but often multi-strain, symbiont population. Within a few hours, the inoculating cells proliferate within the organ’s individual crypts, after which there is evidently no supernumerary colonization. Nevertheless, every day at dawn, the majority of the symbionts is expelled, and the regrowth of the remaining ∼5% of cells provides a daily opportunity for the population to evolve and diverge, thereby increasing its genomic diversity. To begin to understand the extent of this diversification, we characterized the light-organ population of an adult animal. First, we used 16S sequencing to determine that species in the V. fischeri clade were essentially the only ones detectable within a field-caught E. scolopes. Efforts to colonize the host with a minor species that appeared to be identified, V. litoralis, revealed that, although some cells could be imaged within the organ, they were <0.1% of the typical V. fischeri population, and did not persist. Next, we determined the genome sequences of seventy-two isolates from one side of the organ. While all these isolates were associated with one of three clusters of V. fischeri strains, there was considerable genomic diversity within this natural symbiotic population. Comparative analyses revealed a significant difference in both the number and the presence/absence of genes within each cluster; in contrast, there was little accumulation of single-nucleotide polymorphisms. These data suggest that, in nature, the light organ is colonized by a small number of V. fischeri strains that can undergo significant genetic diversification, including by horizontal-gene transfer, over the course of ∼1500 generations of growth in the organ. When the resulting population of symbionts is expelled into seawater, its genomic mix provides the genetic basis for selection during the subsequent environmental dispersal, and transmission to the next host.
Tunable bulk photovoltaic effect in strained 
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-GeSe

Recently, Lee \textit{et. al.} [Nano Lett. \textbf{21}, 4305 (2021)] newly synthesized monochalcogenide GeSe in a polar phase, referred to as $\gamma$-phase. Motivated by this work, we study shift current of $\gamma$-GeSe and its tunability via an in-plane uniaxial strain. Using first-principles calculations, we uncover the electronic structure of the strained $\gamma$-GeSe systems. We then calculate frequency-dependent shift current conductivities at various strains. The tunability is demonstrated to enhance the shift current up to $\sim$ 20 $\mu$A/V$^2$. Moreover, the direction of shift current can be inverted by a light strain. Markedly, an anomalous behavior is found in the zero-frequency limit, which can be an indicative of band inversion and a potential topological phase transition driven by the strain. Our results suggest that shift current can be a tangible prove of bulk electronic states of $\gamma$-GeSe.