Miracle-dz/UniFAR-FTUs huggingface dataset:
Electrostatics-based finite-size corrections for first-principles point defect calculations

Finite-size corrections for charged defect supercell calculations typically consist of image-charge and potential alignment corrections. A wide variety of schemes for both corrections have been proposed for decades. Regarding the image-charge correction, Freysoldt, Neugebauer, and Van de Walle (FNV) recently proposed a novel method that enables us to accurately estimate the correction energy a posteriori through alignment of the defect-induced potential to the model charge potential [Freysoldt et al., Phys. Rev. Lett. 102, 016402 (2009)]. This method, however, still has two issues in practice. Firstly, it uses planar-averaged potential for determining the potential offset, which cannot be readily applied to relaxed system. Secondly, the long-range Coulomb interaction is assumed to be screened by a macroscopic dielectric constant. This is valid only for cubic systems and can bring forth huge errors for defects in anisotropic materials. In this study, we use the atomic site electrostatic potential as a potential marker instead of the planar-averaged potential, and extend the FNV scheme by adopting the point charge model in an anisotropic medium for estimating long-range interactions. We also revisit the conventional potential alignment correction and show that it is fully included in the image-charge correction and therefore unnecessary. In addition, we show that the potential alignment corresponds to a part of first-order and full of third-order image-charge correction; thus the third-order image-charge contribution is absent after the potential alignment. Finally, a systematic assessment of the accuracy of the extended FNV correction scheme is performed for a wide range of material classes. The defect formation energies calculated using around 100-atom supercells are successfully corrected even after atomic relaxation within a few tenths of eV compared to those in the dilute limit.
Prerelease Consumer Buzz: Current State of Research and Future Research Ideas

Nowadays, merchants’ marketing strategies have broken time and distance barriers, allowing consumers to interact with advertisements, and merchants can gather a large number of consumers’ feedback at the same time. PRCB is proposed and used because it can engage and create consumers’ interest prior to the release. Different from EWOM, PRCB is usually launched before product release, and such activities can be divided into three types: communication, search, and participation in experience activities. PRCB can accurately predict the development trend of products due to its dynamic nature, which was proven by introducing data on movie box office and movie trailer clicks. In addition, the VSM platform (HSX) is also introduced to show consumers’ expectation and interest in new items by analyzing the evolving trend of the stock market. Finally, this paper discusses the universality of PRCB in different consumer groups and the research direction to further improve its prediction accuracy.
GRAVITATIONAL PULSE ASTRONOMY

Thompson has argued that the Kozai mechanism is primarily responsible for driving white dwarf binary mergers and so generating type Ia supernovae (SNe). If so, the gravitational-wave signal from these systems will be characterized by isolated repeating pulses that are well approximated by parabolic encounters. I show that it is impossible to detect these with searches based on standard assumptions of circular binaries, nor could they be detected by analogs of the repeating-pulse searches that have been carried out at higher frequencies, even if these were modified to barycentric time as a function of putative sky position. Rather, new search algorithms are required that take account of the intrinsic three-body motion of the source as well as the motion of the Earth. If these eccentric binaries account for even a modest fraction of the observed SN rate, then there should be of order 1 pulse every 20 s coming from within 1 kpc, and there should be of order 200 detectable sources in this same volume. I outline methods of identifying these sources both to remove this very pernicious background to other signals and to find candidate SN Ia progenitors, and I sketch practical methods to find optical counterparts to these sources and so measure their masses and distances.
Tailoring polarization entanglement in anisotropy-compensated spontaneous parametric down-conversion

We show that the angular spectrum of type-II SPDC contains a continuum of maximally entangled states. For the realization of a bright source of entangled two-photon states, a standard technique is to compensate for the transverse walk-off in the production crystal. We demonstrate that polarization entangled states can be effectively engineered by generalizing this approach. Our method allows to considerably enrich the set of generated entangled states with a controlled tailoring them.
A Guideline for Complex Permittivity Retrieval of Tissue-Mimicking Phantoms From Open-Ended Coaxial Probe Response With Deep Learning

In this work, we proposed a general guideline and a technique for retrieving the complex permittivities (CPs) of material under test (MUT) from the measured reflection coefficients (RCs) obtained with the open-ended coaxial probe (OECP) through a deep learning model (DLM). Particularly, lossy materials such as phantoms mimicking the biological tissues are considered as MUT in this study. The dataset used to design (train, validate, and test) the DLM is synthetically generated using the relationship between the CPs of the MUT, namely, admittance model, and the four-pole Cole–Cole relaxation model. Moreover, the technique is implemented to accurately predict the CPs of biological tissues with real measured RCs’ data from 0.5 to 20 GHz with a 50-MHz resolution. This technique eliminates the need to physically perform measurements required to create the dataset for DLM and it can be easily implemented for real-time CPs’ measurement of biological tissues. The designed DLM is initially trained, validated, and tested with 80%, 10%, and 10% of the total generated synthetic dataset, respectively. A percent relative error of 1.5 ± 0.88% is obtained for CPs’ prediction at the test stage. Furthermore, DLM is tested with real RCs’ data measured from four different tissue-mimicking phantoms: skin, muscle, blood, and fat. Predicted CPs from DLM are compared with the CPs’ results obtained from a commercially available OECP measurement kit. A (mean) ± (std.dev) percent relative error ranging from 2.08 ± 0.4 to 10.84 ± 2.43 within the frequency band of interest was obtained after comparison.
Fermions on the antibrane: Higher order interactions and spontaneously broken supersymmetry

It has been recently argued that inserting a probe $\overline{\mathrm{D}3}$-brane in a flux background breaks supersymmetry spontaneously instead of explicitly, as previously thought. In this paper we argue that such spontaneous breaking of supersymmetry persists even when the probe $\overline{\mathrm{D}3}$-brane is kept in a curved background with an internal space that does not have to be a Calabi-Yau manifold. To show this we take a specific curved background generated by fractional 3-branes and fluxes on a non-K\"ahler resolved conifold where supersymmetry breaking appears directly from certain worldvolume fermions becoming massive. In fact this turns out to be a generic property even if we change the dimensionality of the antibrane, or allow higher-order fermionic interactions on the antibrane. We argue for the former by taking a probe $\overline{\mathrm{D}7}$-brane in a flux background and demonstrate the spontaneous breaking of supersymmetry using worldvolume fermions. We argue for the latter by constructing an all-order fermionic action for the $\overline{\mathrm{D}3}$-brane from which the spontaneous nature of supersymmetry breaking can be demonstrated by bringing it to a $\ensuremath{\kappa}$-symmetric form.
Recoil velocity at second post-Newtonian order for spinning black hole binaries

until merger. Furthermore, we provide expressions valid for generic orbits, and accurate at 2PN order, for the energy and angular momentum carried by gravitational waves emitted from spinning binary black holes. Specializing to quasi-circular orbits we compute the spin-spin terms at 2PN order in the expression for the evolution of the orbital frequency and found agreement with Mik oczi, Vas uth and Gergely. We also veried that in the limit of extreme mass ratio our expressions for the energy and angular momentum uxes match the ones of Tagoshi, Shibata, Tanaka and Sasaki obtained in the context of black hole perturbation theory.
Quantum process tomography: the role of initial correlations

We address the problem of quantum process tomography with the preparators producing states correlated with the environmental degrees of freedom that play role in the system-environment interactions. We discuss the physical situations, in which the dynamics is described by nonlinear, or noncompletely positive transformations. In particular, we show that arbitrary mapping $\varrho_{\rm in}\to\varrho_{\rm out}$ can be realized by using appropriate set of preparators and applying the unitary operation SWAP. The experimental ``realization'' of perfect NOT operation is presented. We address the problem of the verification of the compatibility of the preparator devices with the estimating process. The evolution map describing the dynamics in arbitrary time interval is known not to be completely positive, but still linear. The tomography and general properties of these maps are discussed.
How is computational thinking assessed in European K-12 education? A systematic review

Computational thinking (CT) is seen as a key competence of the 21st century and different countries have started to integrate it into their compulsory school curricula. However, there exist only few indications on how to assess CT in compulsory school. This review analyses which tools are used to assess CT in European schools and which dimensions of CT are assessed. We analysed 26 studies carried out between 2016 and 2020 in K-12 in Europe. The results indicate that 18 different tools have been used which can be categorized in 5 groups: questionnaires, tests/tasks, observations, interviews and analysis of products. We derived more than 50 dimensions of CT that are assessed with the tools we analysed, the vast majority of those resulting to be closer to programming skills rather than CT per se. Based on these results it seems that a common operational definition of CT, a competence model that indicates which competences students should reach at which age, and a reliable tool that allows to assess the different facets of CT are currently missing.
On the ultrarelativistic limit of general relativity

As is well-known, Newton’s gravitational theory can be formulated as a four-dimensional space-time theory and follows as singular limit from Einstein’s theory, if the velocity of light tends to the infinity. Here ’singular’ stands for the fact, that the limiting geometrical structure differs from a regular Riemannian space-time. Geometrically, the transition Einstein → Newton can be viewed as an ’opening’ of the light cones. This picture suggests that there might be other singular limits of Einstein’s theory: Let all light cones shrink and ultimately become part of a congruence of singular world lines. The limiting structure may be considered as a nullhypersurface embedded in a five-dimensional spacetime. While the velocity of light tends to zero here, all other velocities tend to the velocity of light. Thus one may speak of an ultrarelativistic limit of General Relativity. The resulting theory is as simple as Newton’s gravitational theory, with the basic difference, that Newton’s elliptic differential equation is replaced by essentially ordinary differential equations, with derivatives tangent to the generators of the singular congruence. The Galilei group is replaced by the Carroll group introduced by Levy-Leblond. We suggest to study near ultrarelativistic situations with a perturbational approach starting from the singular structure, similar to post-Newtonian expansions in the c → ∞ case.
High expression of folate receptor alpha is associated with poor prognosis in patients with cervical cancer

Objective Folate receptor α (FRα) is a membrane protein expressed in various solid tumors but has limited expression in normal cells. Therefore, FRα is an attractive target for cancer treatment. This study aimed to investigate the relationship between FRα expression and the clinicopathological characteristics and survivals of cervical cancer. Methods This retrospective study included patients with cervical cancer who underwent primary surgery between 2000 and 2020 at our institution. Immunohistochemical staining of FRα was performed using an anti-folate-binding protein/FBP antibody. FRα-positive staining was defined as ≥5% of tumor staining and FRα-high as ≥50% tumor staining with ≥2+ intensity. The association between FRα expression and survival was assessed using multivariate Cox regression analysis, adjusting for established prognostic factors. Results Overall, 123 patients were identified, and 140 tumor samples, including 17 paired primary and metastatic samples, were evaluated. As histological types, 67 patients had squamous cell carcinoma (SCC), and 56 patients had non-SCC. All primary tumors were FRα-positive. High FRα expression was observed in 25% of the cases and differed according to histology (SCC vs. non-SCC, 14.9% vs. 37.5%, p=0.004). FRα expression was significantly higher in metastatic tumors than in primary (170 [IQR, 140–205] vs. 125 [IQR, 110–150], p=0.0006). High FRα expression was significantly associated with worse overall survival (hazard ratio, 6.73; 95% confidence interval, 2.21–20.53; p=0.001). Conclusion In cervical cancer, FRα expression was elevated in metastatic tumors and high expression was associated with a worse prognosis. Our study supports the development of FRα-targeted therapy for advanced cervical cancer.
FERMI LARGE AREA TELESCOPE DETECTION OF THE YOUNG SUPERNOVA REMNANT TYCHO

After almost three years of data taking in sky-survey mode, the Fermi Large Area Telescope has detected γ-ray emission toward Tycho's supernova remnant (SNR). The Tycho SNR is among the youngest remnants in the Galaxy, originating from a Type Ia Supernova in AD 1572. The γ-ray integral flux from 400 MeV up to 100 GeV has been measured to be (3.5 ± 1.1stat ± 0.7syst)× 10−9 cm−2 s−1 with a photon index of 2.3 ± 0.2stat ± 0.1syst. A simple model consistent with TeV, X-ray, and radio data is sufficient to explain the observed emission as originating from π0 decays as a result of cosmic-ray acceleration and interaction with the ambient medium.
An Explicit Cross Entropy Scheme for Mixtures

The key issue in importance sampling is the choice of the alternative sampling distribution, which is often chosen from the exponential tilt family of the underlying distribution. However, when the problem exhibits certain kind of nonconvexity, it is very likely that a single exponential change of measure will never attain asymptotic optimality and can lead to erroneous estimates. In this paper we introduce an explicit iterative scheme which combines the traditional cross-entropy method and the EM algorithm to find an efficient alternative sampling distribution in the form of mixtures. We also study the applications of this scheme to the estimation of rainbow option prices.
THE LOW-REDSHIFT INTERGALACTIC MEDIUM AS SEEN IN ARCHIVAL LEGACY HST/STIS AND FUSE DATA

We present a comprehensive catalog of ultraviolet (HST/STIS and FUSE) absorbers in the low-redshift intergalactic medium (IGM) at z < 0.4. The catalog draws from much of the extensive literature on IGM absorption and reconciles discrepancies among several previous catalogs through a critical evaluation of all reported absorption features in light of new HST/COS data. We report on 746 H i absorbers down to a rest-frame equivalent width of 12 mÅ over a maximum redshift path length Δz = 5.38. We also confirm 111 O vi absorbers, 29 C iv absorbers, and numerous absorption lines due to other metal ions. We characterize the bivariate distribution of absorbers in redshift and column density as a power law, , where β = 2.08 ± 0.12 for O vi and β = 1.68 ± 0.03 for H i. Utilizing a more sophisticated accounting technique than past work, our catalog accounts for ∼43% of the baryons: 24% ± 2% in the photoionized Lyα forest and 19% ± 2% in the warm-hot IGM as traced by O vi. We discuss the large systematic effects of various assumed metallicities and ionization states on these calculations, and we implement recent simulation results in our estimates.
Industrial Particulate Pollution and Historical Land Use Contribute Metals of Concern to Dust Deposited in Neighborhoods Along the Wasatch Front, UT, USA

The Salt Lake Valley, UT, USA, is proximal to the desiccating Great Salt Lake (GSL). Prior work has found that this lakebed/playa contributes metals‐laden dust to snow in the Wasatch and Uinta Mountains. Dust and industrial particulate pollution are also delivered to communities along the Wasatch Front, but their sources, compositions, and fluxes are poorly characterized. In this study, we analyzed the dust deposited in 18 passive samplers positioned near the GSL, in cities in and near the Salt Lake Valley for total dust flux, the <63 µm dust fraction, 87Sr/86Sr, and trace element geochemistry. We compared spatial patterns in metal flux and abundance with community‐level socioeconomic metrics. We observed the highest dust fluxes at sites near the GSL playa. Within the urban corridor, 87Sr/86Sr and trace element relative abundances suggest that most of the dust to which people are regularly exposed may be fugitive dust from local soil materials. The trace metal content of dust deposited along the Wasatch Front exceeded Environmental Protection Agency screening levels and exhibited enrichment relative to both the upper continental crust and the dust collected adjacent to GSL. Sources of metals to dust deposited along the Wasatch Front may include industrial activities like mining, oil refining, as well as past historical pesticide and herbicide applications. Arsenic and vanadium indicated a statistically significant positive correlation with income, whereas lead, thallium, and nickel exhibited higher concentrations in the least wealthy and least white neighborhoods.
Graph powers, partitions, and other extremal problems

Graph theory is the study of networks of objects (called vertices) joined by links (called edges). Since many real world problems can be represented by a graph, graph theory has applications in areas such as sociology, chemistry, and computing. In this thesis, a number of open problems in graph theory are studied.
Status of the management of hypertension and diabetes in rural Kenya: a multi-institutional joint intervention of cross-sectional surveys

Introduction the aim of this study was to analyze the status of the management of vascular risk factors (hypertension and diabetes) at hospital level (3, 4 and 5) in Murang'a County (Kenya) health system. Methods between July and December 2018 we performed a joint intervention about the strategies for improving care management of hypertension and diabetic patients in Murang'a (Kenya). A survey based on the recommendations from WHO about management of diabetes and hypertension was completed for 9 health-care centers. The survey made use of a semi-structured questionnaire, while the units of analysis for the survey were households. Results the number of patients recorded at medical registers with diabetes and hypertension registered in public hospitals in Murang'a County were 6628 (0.45%) and y 6694 (0.45%), respectively. In the surveyed health-care centers, no hospital use electrogram and only one had troponin test. No hospital stocked Isosorbide dinitrate and Glicerine trinitate to prevent chest pain in patients with a heart condition. Only 3 of the clinics performed visual acuity examination and no facility did neurologic examination for neuropathy complications. No public hospital had HbA1 and did microalbuminuria test available. Conclusion it is necessary to improve to establish screening methods, diagnosis, treatment and follow-up of patients with hypertension and diabetes in Murang'a County at the various levels of health care.
Evolution of Mycobacterium tuberculosis drug resistance in the genomic era

Mycobacterium tuberculosis has acquired drug resistance to all drugs that have been used against it, including those only recently introduced into clinical practice. Compared to other bacteria, it has a well conserved genome due to its role as an obligate human pathogen that has adapted to a niche over five to ten thousand years. These features facilitate reconstruction and dating of M. tuberculosis phylogenies, giving key insights into how resistance has been acquired and spread globally. Resistance to each new drug has occurred within five to ten years of clinical use and has occurred even more rapidly with recently introduced drugs. In most cases, resistance-conferring mutations come with a fitness cost, but this can be overcome by compensatory mutations which restore fitness to that of wild-type bacteria. It is likely that M. tuberculosis acquires drug resistance while maintaining limited genomic variability due the generation of low frequency within-host variation, combined with ongoing purifying selection causing loss of variants without a clear fitness advantage. However, variants that do confer an advantage, such as drug resistance, can increase in prevalence amongst all bacteria within a host and become the dominant clone. These resistant strains can then be transmitted leading to primary drug resistant infection in a new host. As many countries move towards genomic methods for diagnosis of M. tuberculosis infection and drug resistance, it is important to be aware of the implications for the evolution of resistance. Currently, understanding of resistance-conferring mutations is incomplete, and some targeted genetic diagnostics create their own selective pressures. We discuss an example where a rifampicin resistance-conferring mutation which was not routinely covered by standard testing became dominant. Finally, resistance to new drugs such as bedaquiline and delamanid is caused by individually rare mutations occurring across a large mutational genomic target that have been detected over a short time, and do not provide statistical power for genotype-phenotype correlation – in contrast to longer-established drugs that form the backbone of drug-sensitive antituberculosis therapy. Therefore, we need a different approach to identify resistance-conferring mutations of new drugs before their resistance becomes widespread, abrogating their usefulness.
Regularization of non-linear measure differential equations

The Cauchy problem for a non-linear system of regularized measure differential equations is studied. It is proved that the solutions of the regularized problems converges to a solution of an integral equation involving measures. In general this equation differs from the formal one corresponding to the original measure differential equation. This theorem generalizes a special result by Kurzweil [2] and a linear result by the author [5]. Sesekin [10] has proved an analogous theorem for a more restricted system in a wider class of regularizations.