Miracle-dz/UniFAR-FTUs huggingface dataset:
Likelihood-based parametric estimator for memory kernel in molecular dynamics

Hadrien Vroylandt,1 Ludovic Goudenège,2 Pierre Monmarché,3, 4 Fabio Pietrucci,5 and Benjamin Rotenberg6 Sorbonne Université, institut des sciences du calcul et des données, ISCD, F-75005 Paris, France CNRS, FR 3487, Fédération de Mathématiques de CentraleSupélec, CentraleSupélec, 91190 Gif-sur-Yvette, Université Paris-Saclay, France Sorbonne Université, Laboratoire Jacques-Louis Lions, LJLL, F-75005 Paris Sorbonne Université, Laboratoire de Chimie Théorique, LCT, F-75005 Paris Sorbonne Université, Muséum National d’Histoire Naturelle, UMR CNRS 7590, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, IMPMC, F-75005 Paris, France Physicochimie des électrolytes et Nanosystèmes Interfaciaux, Sorbonne Université, CNRS, 4 Place Jussieu F-75005 Paris, France (Dated: October 11, 2021)
Hexagonal germanium grown by molecular beam epitaxy on self-assisted GaAs nanowires

Hexagonal group IV materials like silicon and germanium are expected to display remarkable optoelectronic properties for future development of photonic technologies. However, the fabrication of hexagonal group IV semiconductors within the vapour-liquid-solid method has been obtained using gold as a catalyst thus far. In this letter, we show the synthesis of hexagonal Ge on self-assisted GaAs nanowires using molecular beam epitaxy. With an accurate tuning of the Ga and As molecular beam flux we selected the crystal phase, cubic or hexagonal, of the GaAs NWs during the growth. A 500 nm-long hexagonal segment of Ge with high structural quality and without any visible defects is obtained, and we show that germanium keeps the crystal phase of the core using scanning transmission electron microscopy. Finally X-ray Photoelectron Spectroscopy reveals a strong incorporation of As in the Ge. This study demonstrates the first growth of hexagonal Ge in the Au-free approach, integrated on silicon substrate.
Stereo Dense Scene Reconstruction and Accurate Laparoscope Localization for Learning-Based Navigation in Robot-Assisted Surgery

—The computation of anatomical information and laparoscope position is a fundamental block of robot-assisted surgical navigation in Minimally Invasive Surgery (MIS). Recov- ering a dense 3D structure of surgical scene using visual cues remains a challenge, and the online laparoscopic tracking mostly relies on external sensors, which increases system complexity. In this paper, we propose a learning-driven framework, in which an image-guided laparoscopic localization with 3D reconstructions of complex anatomical structures is hereby achieved. To reconstruct the 3D structure of the whole surgical environment, we ﬁrst ﬁne-tune a learning-based stereoscopic depth perception method, which is robust to the texture-less and variant soft tissues, for depth estimation. Then, we develop a dense visual reconstruc- tion algorithm to represent the scene by surfels, estimate the laparoscope pose and fuse the depth data into a uniﬁed reference coordinate for tissue reconstruction. To estimate poses of new laparoscope views, we realize a coarse-to-ﬁne localization method, which incorporates our reconstructed 3D model. We evaluate the reconstruction method and the localization module on three datasets, namely, the stereo correspondence and reconstruction of endoscopic data (SCARED), the ex-vivo phantom and tissue data collected with Universal Robot (UR) and Karl Storz Laparoscope, and the in-vivo DaVinci robotic surgery dataset. Extensive exper- iments have been conducted to prove the superior performance of our method in 3D anatomy reconstruction and laparoscopic localization, which demonstrates its potential implementation to surgical navigation system.
Semi-supervised learning objectives as log-likelihoods in a generative model of data curation

We currently do not have an understanding of semi-supervised learning (SSL) objectives such as pseudo-labelling and entropy minimization as log-likelihoods, which precludes the development of e.g. Bayesian SSL. Here, we note that benchmark image datasets such as CIFAR-10 are carefully curated, and we formulate SSL objectives as a log-likelihood in a generative model of data curation that was initially developed to explain the cold-posterior effect (Aitchison 2020). SSL methods, from entropy minimization and pseudo-labelling, to state-of-the-art techniques similar to FixMatch can be understood as lower-bounds on our principled log-likelihood. We are thus able to give a proof-of-principle for Bayesian SSL on toy data. Finally, our theory suggests that SSL is effective in part due to the statistical patterns induced by data curation. This provides an explanation of past results which show SSL performs better on clean datasets without any"out of distribution"examples. Confirming these results we find that SSL gave much larger performance improvements on curated than on uncurated data, using matched curated and uncurated datasets based on Galaxy Zoo 2.
The one-dimensional Bose gas with strong two-body losses: the effect of the harmonic confinement

We study the dynamics of a one-dimensional Bose gas in presence of strong two-body losses. In this dissipative quantum Zeno regime, the gas fermionises and its dynamics can be described with a simple set of rate equations. Employing the local density approximation and a Boltzmann-like dynamical equation, the description is extended to take into account an external potential. We show that in the absence of confinement the population is depleted in an anomalous way and that the gas behaves as a low-temperature classical gas. The harmonic confinement accelerates the depopulation of the gas and introduces a novel decay regime, which we thoroughly characterise.
Characterization of the distribution of defects introduced by plasma exposure in Si substrate

Defects in a silicon (Si) substrate induced by plasma exposure—plasma-induced damage (PID)—were investigated using various techniques. The authors performed a comprehensive characterization of plasma induced damages, which will be indispensable for suppressing PID, by precisely assigning the density profile of defects in the region to ∼1016 cm−3. In this study, the Si substrate was damaged using an electron cyclotron resonance plasma system. Cathodoluminescence analysis was used to detect the defects in the damaged Si substrates. The thickness of the damaged layer in the Si substrates was determined to be approximately 1–2 nm by transmission electron microscopy and spectroscopic ellipsometry, while time-of-flight secondary ion mass spectrometry identified the presence of interstitial atoms to a depth of ∼20 nm. Positron annihilation spectroscopy showed that the structural changes related to vacancies interacting with C and F atoms were distributed from the substrate surface to a depth of approximately 130 nm. The authors further verified this finding by a technique using the PID-enhanced dechanneling of As atoms implanted with a projection range of 10 nm. After plasma exposure, the difference between the plasma-damaged and the nondamaged samples in the injected As profiles was identified to a depth of ∼130 nm with a density of ∼1016 cm−3. The comprehensive defect profiling performed in this study provides key guidelines for the introduction mechanism of defects in plasma exposed Si before designing future electronic devices.Defects in a silicon (Si) substrate induced by plasma exposure—plasma-induced damage (PID)—were investigated using various techniques. The authors performed a comprehensive characterization of plasma induced damages, which will be indispensable for suppressing PID, by precisely assigning the density profile of defects in the region to ∼1016 cm−3. In this study, the Si substrate was damaged using an electron cyclotron resonance plasma system. Cathodoluminescence analysis was used to detect the defects in the damaged Si substrates. The thickness of the damaged layer in the Si substrates was determined to be approximately 1–2 nm by transmission electron microscopy and spectroscopic ellipsometry, while time-of-flight secondary ion mass spectrometry identified the presence of interstitial atoms to a depth of ∼20 nm. Positron annihilation spectroscopy showed that the structural changes related to vacancies interacting with C and F atoms were distributed from the substrate surface to a depth of approximately 130.
On the relativity of species, or the probabilistic solution to the species problem

For centuries, both scientists and philosophers have discussed the nature of species resulting in c. 35 species concepts proposed to date. However, in our opinion, none of them incorporated neither recent advances in evolutionary genomics nor dimensionality of species in befitting depth. Our attempt to do so resulted in the following conclusions. Due to the continuous nature of evolution (regardless of its rate and constancy), species are inevitably undefinable as natural discontinuous units (except those originating in saltatory speciation) whenever the time dimension is taken into consideration. Therefore, the very existence of species as a natural discontinuous entity is relative to its dimensionality. A direct consequence of the relativity of species is the duality of speciators (e.g., incipient species) meaning that, in a given time, they may be perceived as both being and not being a species. Finally, the most accurate way to reflect both the relativity of species and the duality of speciators in species delimitation is probabilistic. While the novelty of these ideas may be questionable, they still deserve more extensive attention from the biological community. Here, we hope to draw such attention by outlining one of the possible pathways towards a new kind of probabilistic species delimitation methods based on the probability of irreversible divergence of evolutionary lineages. We anticipate that our probabilistic view of speciation has the potential to facilitate some of the most serious and universal issues of current taxonomy and to ensure unity of the species‐level taxonomy across the tree of life.
Decoding ionic conductivity and reordering in cation-disordered pyrochlores

The ordered structure A2B2O6O’ in pyrochlores engenders twin rows of inequivalent anion sublattices each centred on alternating cations. While it is known that cation antisite disorder augments the ionic conductivity by several orders of magnitude, the local cation environment around the anions and the dynamic anion reordering during the cation disordering are not well-elucidated. Using atomistic simulations on Gd2Zr2O7, we first show that the anions engage in concerted hops to the neighbouring tetrahedral sites mostly along with the ⟨1 0 0⟩ direction while completely avoiding the octahedral sites. While the initially vacant 8a sites start accommodating oxygen ions with increasing cation disorder, they show noticeable reluctance even at significant levels of disorder. We have also tracked both the distribution of available oxygen sites following random cation disorder, which is dependent only on cation disordering, and the probability of occupation of these sites. Interestingly, the available oxygen sites show a non-monotonic dependence on the number of B ions in the nearest neighbouring shell while the occupation probability of all the available oxygen sites increases monotonically. A tetrahedral oxygen site thus has a better probability of being occupied when it has a greater number of second neighbour B ions. This article is part of the Theo Murphy meeting issue 'Understanding fast-ion conduction in solid electrolytes'.
Level and determinants of willingness to pay for rapid COVID-19 testing delivered through private retail pharmacies in Kenya.

To support the government response to the coronavirus disease 2019 (COVID-19) pandemic, accessible and sustainable testing approaches are needed. Private retail pharmacies are a key channel through which communities can access COVID-19 testing. We examined the level and determinants of the willingness to pay (WTP) for rapid COVID-19 testing delivered through private retail pharmacies in Kenya. Data was collected following a cross-sectional double-bounded dichotomous choice contingent valuation survey across 341 clients visiting five private retail pharmacies in Nairobi, Kisumu and Siaya counties. Our findings indicate mean and median WTP levels of KES 611 (US$ 5.59) and KES 506 (US$ 4.63), respectively. Estimated WTP varied across counties and increased with household income and self-reported interest in pharmacy-based COVID-19 rapid testing. These findings can inform price setting, price differentiation, price subsidization and other program design features geared towards enhancing affordability, equity, and uptake.
Individual Differences in Perceptions of Social Presence: Exploring the Role of Personality in Online Distance Learning

Abstract Social presence is a central concept relating to interpersonal aspects in online distance learning. However, the conditions and determinants of its emergence are not yet fully understood. As a construct rooted in social psychology, the potential of individual differences predicting perceptions of social presence has been largely neglected, thus, constituting a gap in our understanding. In a sample of 201 online distance education students, the merits of a trait-level view of social presence were investigated. To this end, personality was assessed using the Big Five personality inventory, exploring both a dimensional and a typological approach. Results suggest that specific personality typologies may be more prone to perceptions of social presence, thus calling for an extension of our theoretical modeling of the construct.
Isolation in Rust: What is Missing?

Rust is the first practical programming language that has the potential to provide fine-grained isolation of untrusted computations at the language level. A combination of zero-overhead safety, i.e., safety without a managed runtime and garbage collection, and a unique ownership discipline enable isolation in systems with tight performance budgets, e.g., databases, network processing frameworks, browsers, and even operating system kernels. Unfortunately, Rust was not designed with isolation in mind. Today, implementing isolation in Rust is possible but requires complex, ad hoc, and arguably error-prone mechanisms to enforce it outside of the language. We examine several recent systems that implement isolation in Rust but struggle with the shortcomings of the language. As a result of our analysis we identify a collection of mechanisms that can enable isolation as a first class citizen in the Rust ecosystem and suggest directions for implementing them.
Finding Faith in American Foreign Policy: Religion and American Diplomacy in a Post-Secular World

Brenneman, Robert E. 2012. Homies and hermanos: God and the gangs in Central America. New York: Oxford University Press. O’Neill, Kevin Lewis. 2019. Hunted: Predation and Pentecostalism in Guatemala. Chicago and London: University of Chicago Press. Sanchis, Pierre. 1997. “O campo religioso contemporaneo no Brasil. ” In Globalização e Religião, edited by Ari Pedro Oro, and Alberto Steil, 103–116. Petropolis: Vozes.
Organizing in the digital age: digital macro practice is here…to stay

The articles in this special issue illustrate how digital technologies, including social media, have impacted the ways individuals, groups, and communities come together to advocate and effect social change. Individually, these articles showcase key areas where social work scholarship has elevated the potential of digital technologies to spearhead substantive structural, social, and organizational change. Collectively, they offer a gentle nudge for our profession to take a more proactive role in integrating digital technologies in meaningful ways and advocating for digital justice. The social work profession is at a critical crossroads where we can take a proactive role in influencing the ethical use of digital technologies to benefit social good and advance social change, rather than be reactive to the whims of technology companies and developers that thus far, have dictated the rules of digital engagement and participation.
Trust and Emotions Predict Support for Large Carnivore Recovery in the Absence of Real Threats

Abstract Understanding social support for large carnivores’ recovery can guide policies governing human-predator interactions. We investigated the socio-psychological determinants of support for recovery of black bears, cougars, and gray wolves among residents of Illinois, USA. We contacted a random sample (n = 7,500) of Illinois residents using a repeat mail survey (34% response rate). Structural equation modeling results suggested that our respondents tend to rely more on mental shortcuts (i.e., emotions and social trust) than analytical mental processes (i.e., risk perception) in their judgments of large carnivores’ recovery. Findings of multigroup analysis suggested that similar psychological processes shape respondents’ support for recovery across species. However, among stakeholder groups, the findings implied a prominent role of trust in management agency for the public and hunters, whereas emotions were more influential in shaping hunters’ and livestock producers’ attitudes. We provide specific recommendations for management agencies to develop policies and conservation campaigns.
Recent advances in additive‐enhanced polymer electrolyte membrane properties in fuel cell applications: An overview

Additives such as fillers, cross‐linkers, and plasticizers have become increasingly important in the polymer nanocomposite production field, especially for enhancing the structural morphology, functional behavior, and final performance of nanocomposites in broad applications. The current work is an overview of the effects of additive substances such as fillers, cross‐linkers, and plasticizers in the polymer electrolyte membrane composites applied to fuel cells. A comparative review is conducted by categorizing fillers into several types, and the most popular cross‐linkers and plasticizers used in fuel cell membranes are included in this review. The highlighted properties include the proton conductivity, permeability, mechanical properties, thermal properties, crystallinity, and structure of additive‐modified nanocomposites. Furthermore, the challenges and future prospects in the additive field are discussed in Section 5.0. This review can provide a reference for researchers seeking specific substances that can be used to enhance nanocomposite properties, especially in membrane fuel cell applications.
A Novel Nitrogen-Assisted Method for the Perovskite Active Layer Optimization in the Inverted Planar Heterojunction Perovskite Solar Cells

The perovskite solar cells is recognized as a promising candidate for energy industry system because of its tunable band-gap, high absorption coefficient, broad absorption spectrum, high charge carrier mobility and long charge diffusion lengths. However, a dendritic grains morphology, caused by the spin coating procedure, will result in poor coverage and then low power conversion efficiency. In this work, a novel and facile inactive gas assisted method is introduced to obtain uniform and dense perovskite thin films. The dry nitrogen gas blows over the surface of the perovskite solution during the spin-coating process, which promote a faster solvent evaporation. Then, the uniform and compact perovskite film on the substrate was achieved. Typically, the power conversion efficiency (PCE) of the nitrogen gas assisted perovskite solar cells increases from 0.30% to around 9.5 %. Furthermore, the favorable start time of nitrogen blowing on devices was also investigated. The PCE stays around 9.46 % – 9.78 % when the gas starts at 2 sec - 5 sec, and the efficiency decreases to 8.98 % if the gas starts at 6 sec. The nitrogen flow assisted method is proved to be an effective way to fabricate dense perovskite films without polluting the environment.
External Validation and Test-Retest Reliability of Postpartum Bonding Questionnaire in Spanish Mothers

Abstract The aim of the present study was to validate the Spanish Postpartum Bonding Questionnaire (PBQ) against external criteria of bonding disorder, as well as to establish its test-retest reliability. One hundred fifty-six postpartum women consecutively recruited from a perinatal mental health outpatient unit completed the PBQ at 4–6 weeks postpartum. Four weeks later, all mothers completed again the PBQ and were interviewed using the Birmingham Interview for Maternal Mental Health to establish the presence of a bonding disorder. Receiver operating characteristic curve analysis revealed an area under the curve (AUC) value for the PBQ total score of 0.93, 95% CI [0.88, 0.98], with the optimal cut-off of 13 for detecting bonding disorders (sensitivity: 92%, specificity: 87%). Optimal cut-off scores for each scale were also obtained. The test-retest reliability coefficients were moderate to good. Our data confirm the validity of PBQ for detecting bonding disorders in Spanish population.
Recombinant botulinum neurotoxin serotype A1 in vivo characterization

Clinically used botulinum neurotoxins (BoNTs) are natural products of Clostridium botulinum. A novel, recombinant BoNT type A1 (rBoNT/A1; IPN10260) has been synthesized using the native amino acid sequence expressed in Escherichia coli and has previously been characterized in vitro and ex vivo. Here, we aimed to characterize rBoNT/A1 in vivo and evaluate its effects on skeletal muscle. The properties of rBoNT/A1 following single, intramuscular administration were evaluated in the mouse and rat digit abduction score (DAS) assays and compared with those of natural BoNT/A1 (nBoNT/A1). rBoNT/A1‐injected tibialis anterior was assessed in the in situ muscle force test in rats. rBoNT/A1‐injected gastrocnemius lateralis (GL) muscle was assessed in the compound muscle action potential (CMAP) test in rats. The rBoNT/A1‐injected GL muscle was evaluated for muscle weight, volume, myofiber composition and immunohistochemical detection of cleaved SNAP25 (c‐SNAP25). Results showed that rBoNT/A1 and nBoNT/A1 were equipotent and had similar onset and duration of action in both mouse and rat DAS assays. rBoNT/A1 caused a dose‐dependent inhibition of muscle force and a rapid long‐lasting reduction in CMAP amplitude that lasted for at least 30 days. Dose‐dependent reductions in GL weight and volume and increases in myofiber atrophy were accompanied by immunohistochemical detection of c‐SNAP25. Overall, rBoNT/A1 and nBoNT/A1 exhibited similar properties following intramuscular administration. rBoNT/A1 inhibited motoneurons neurotransmitter release, which was robust, long‐lasting, and accompanied by cleavage of SNAP25. rBoNT/A1 is a useful tool molecule for comparison with current natural and future modified recombinant neurotoxins products.
SUMO-mediated recruitment allows timely function of the Yen1 nuclease in mitotic cells

The modification of DNA damage response proteins with Sumo is an important mechanism to orchestrate a timely and orderly recruitment of repair factors to damaged sites. After replication stress and double-strand break formation a number of repair factors are Sumoylated and interact with other Sumoylated factors, including the nuclease Yen1. Yen1 plays a critical role to ensure genome stability and unperturbed chromosome segregation by removing covalently linked DNA intermediates that are formed by homologous recombination. Here we show how this important role of Yen1 is dependent on interactions mediated by non-covalent binding to Sumoylated partners. Mutations in the motifs that allow Sumo-mediated recruitment of Yen1 impair its ability to resolve DNA intermediates and result in increased genome instability and chromosome mis-segregation.