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Principal component analysis (PCA) is routinely used in population genetics to assess genetic structure. With chromosomal reference genomes and population-scale whole genome-sequencing becoming increasingly accessible, contemporary studies often include characterizations of the genomic landscape as it varies along chromosomes, commonly termed genome scans. While traditional summary statistics like FST and dXY remain integral to characterizing the genomic divergence profile, PCA fundamentally differs by providing single-sample resolution, thereby making results intuitively interpretable to help identify polymorphic inversions, introgression and other types of divergent sequence. Here, we introduce WinPCA, a user-friendly package to compute, polarize and visualize genetic principal components in windows along the genome. To accommodate low-coverage whole genome-sequencing datasets, WinPCA can optionally make use of PCAngsd methods to compute principal components in a genotype likelihood framework. WinPCA accepts variant data in either VCF or BEAGLE format and can generate rich plots for interactive data exploration and downstream presentation., Comment: 8 pages, 1 figure

We review the status of the QED calculations for the muonium $2S_{1/2}-2P_{3/2}$ energy interval and provide the updated theoretical value of $9874.357\pm0.001\,\mathrm{MHz}$. Additionally, we present a model for probing Lorentz-violating coefficients within the Standard Model Extension framework using the fine structure measurement in the presence and absence of a weak external magnetic field, enabling novel tests of CPT and Lorentz symmetry. Using Monte Carlo simulations, we estimate that a precision of $\sim 10\,\mathrm{kHz}$ on the isolated $2S_{1/2}, F=1 - 2P_{3/2}, F=1$ transition could be achievable employing Ramsey's separate oscillatory fields (SOF) technique. Collecting the required statics will become feasible with the upcoming High-Intensity Muon Beam (HiMB) at the Paul Scherrer Institute (PSI) in Switzerland. These advancements will enable precise tests of radiative QED corrections and nuclear self-energy contributions, while also providing tests of new physics and sensitivity to unconstrained coefficients for Lorentz violation within the Standard Model Extension framework.

This paper examines (restricted) Koszul Lie algebras, a class of positively graded Lie algebras with a quadratic presentation and specific cohomological properties. The study employs HNN-extensions as a key tool for decomposing and analysing these algebras. Building on a previous work on Koszul Lie algebras ("Kurosh theorem for certain Koszul Lie algebras", S. Blumer), this paper also deals with Bloch-Kato Lie algebras, which constitute a distinguished subclass of that of Koszul Lie algebras where all subalgebras generated by elements of degree $1$ have a quadratic presentation. It is shown that Bloch-Kato Lie algebras satisfy a version of the Levi decomposition theorem and that they satisfy the Toral Rank Conjecture. Two new families of such Lie algebras are introduced, including all graded Lie algebras generated in degree $1$ and defined by two quadratic relations. Throughout the paper, we show many properties of right-angled Artin graded (RAAG) Lie algebras, which form a large class of Koszul Lie algebras.

Free electrons in the interstellar medium refract and diffract radio waves along multiple paths, resulting in angular and temporal broadening of radio pulses that limits pulsar timing precision. We determine multifrequency, multi-epoch scattering times for the large dispersion measure millisecond pulsar J1903+0327 by developing a three component model for the emitted pulse shape that is convolved with a best fit pulse broadening function (PBF) identified from a family of thin-screen and extended-media PBFs. We show that the scattering time, $\tau$, at a fiducial frequency of 1500 MHz changes by approximately 10% over a 5.5yr span with a characteristic timescale of approximately 100 days. We also constrain the spectral index and inner scale of the wavenumber spectrum of electron density variations along this line of sight. We find that the scaling law for $\tau$ vs. radio frequency is strongly affected by any mismatch between the true and assumed PBF or between the true and assumed intrinsic pulse shape. We show using simulations that refraction is a plausible cause of the epoch dependence of $\tau$, manifesting as changes in the PBF shape and $1/e$ time scale. Finally, we discuss the implications of our scattering results on pulsar timing including time of arrival delays and dispersion measure misestimation., Comment: 16 pages, 14 figures, submitted to ApJ

We present an inference scheme of long timescale, non-exponential kinetics from Molecular Dynamics simulations accelerated by stochastic resetting. Standard simulations provide valuable insight into chemical processes but are limited to timescales shorter than $\sim 1 \mu s$. Slower processes require the use of enhanced sampling methods to expedite them, and inference schemes to obtain the unbiased kinetics. However, most kinetics inference schemes assume an underlying exponential first-passage time distribution and are inappropriate for other distributions, e.g., with a power-law decay. We propose an inference scheme that is designed for such cases, based on simulations enhanced by stochastic resetting. We show that resetting promotes enhanced sampling of the first-passage time distribution at short timescales, but often also provides sufficient information to estimate the long-time asymptotics, which allows the kinetics inference. We apply our method to a model system and a short peptide in an explicit solvent, successfully estimating the unbiased mean first-passage time while accelerating the sampling by more than an order of magnitude.

The potential of circulating antideuterons ($\mathrm{\overline{d}}$) in the AD/ELENA facility at CERN is under active investigation. Approximately 100 $\mathrm{\overline{d}}$ per bunch could be delivered as a $100\,\mathrm{keV}$ beam based on measured cross-sections. These $\mathrm{\overline{d}}$ could be further decelerated to $12\,\mathrm{keV}$ using the GBAR scheme, enabling the synthesis of antideuterium ($\mathrm{\overline{D}}$) via charge exchange with positronium, a technique successfully demonstrated with $6\,\mathrm{keV}$ antiprotons for antihydrogen production. The AD/ELENA facility is currently studying the possibility of increasing the $\mathrm{\overline{d}}$ rate using an optimized new target geometry. Assuming this is feasible, we propose further enhancing the anti-atom production by using laser-excited positronium in the $2P$ state within a cavity, which is expected to increase the $\mathrm{\overline{D}}(2S)$ production cross-section by almost an order of magnitude for $\mathrm{\overline{d}}$ with $2\,\mathrm{keV}$ energy. We present the projected precision for measuring the antideuterium Lamb shift and extracting the antideuteron charge radius, as a function of the beam flux.

Stochastic resetting, the procedure of stopping and re-initializing random processes, has recently emerged as a powerful tool for accelerating processes ranging from queuing systems to molecular simulations. However, its usefulness is severely limited by assuming that the resetting protocol is completely decoupled from the state and age of the process that is being reset. We present a general formulation for state- and time-dependent resetting of stochastic processes, which we call adaptive resetting. This allows us to predict, using a single set of trajectories without resetting and via a simple reweighing procedure, all key observables of processes with adaptive resetting. These include the first-passage time distribution, the propagator, and the steady-state. Our formulation enables efficient exploration of informed search strategies and facilitates the prediction and design of complex non-equilibrium steady states, eliminating the need for extensive brute-force sampling across different resetting protocols.

We present a procedure for enhanced sampling of molecular dynamics simulations through informed stochastic resetting. Many phenomena, such as protein folding and crystal nucleation, occur over time scales that are inaccessible in standard simulations. We recently showed that stochastic resetting can accelerate molecular simulations that exhibit broad transition time distributions. However, standard stochastic resetting does not exploit any information about the reaction progress. For a model system and chignolin in explicit water, we demonstrate that an informed resetting protocol leads to greater accelerations than standard stochastic resetting in molecular dynamics and Metadynamics simulations. This is achieved by resetting only when a certain condition is met, e.g., when the distance from the target along the reaction coordinate is larger than some threshold. We use these accelerated simulations to infer important kinetic observables such as the unbiased mean first-passage time and direct transit time. For the latter, Metadynamics with informed resetting leads to speedups of 2-3 orders of magnitude over unbiased simulations with relative errors of only ~35-70%. Our work significantly extends the applicability of stochastic resetting for enhanced sampling of molecular simulations.

A low energy particle confined by a horizontal reflective surface and gravity settles in gravitationally bound quantum states. These gravitational quantum states (GQS) were so far only observed with neutrons. However, the existence of GQS is predicted also for atoms. The GRASIAN collaboration pursues the first observation of GQS of atoms, using a cryogenic hydrogen beam. This endeavor is motivated by the higher densities, which can be expected from hydrogen compared to neutrons, the easier access, the fact that GQS were never observed with atoms and the accessibility to hypothetical short range interactions. In addition to enabling gravitational quantum spectroscopy, such a cryogenic hydrogen beam with very low vertical velocity components - a few cm s$^{-1}$, can be used for precision optical and microwave spectroscopy. In this article, we report on our methods developed to reduce background and to detect atoms with a low horizontal velocity, which are needed for such an experiment. Our recent measurement results on the collimation of the hydrogen beam to 2 mm, the reduction of background and improvement of signal-to-noise and finally our first detection of atoms with velocities < 72 m s$^{-1}$ are presented. Furthermore, we show calculations, estimating the feasibility of the planned experiment and simulations which confirm that we can select vertical velocity components in the order of cm s$^{-1}$.

An increasing amount of attention has been devoted to the problem of "toxic" or antisocial behavior on social media. In this paper we analyze such behavior at very large scales: we analyze toxicity over a 14-year time span on nearly 500 million comments from Reddit and Wikipedia, grounded in two different proxies for toxicity. At the individual level, we analyze users' toxicity levels over the course of their time on the site, and find a striking reversal in trends: both Reddit and Wikipedia users tended to become less toxic over their life cycles on the site in the early (pre-2013) history of the site, but more toxic over their life cycles in the later (post-2013) history of the site. We also find that toxicity on Reddit and Wikipedia differ in a key way, with the most toxic behavior on Reddit exhibited in aggregate by the most active users, and the most toxic behavior on Wikipedia exhibited in aggregate by the least active users. Finally, we consider the toxicity of discussion around widely-shared pieces of content, and find that the trends for toxicity in discussion about content bear interesting similarities with the trends for toxicity in discussion by users.

Pulsar timing array experiments have recently uncovered evidence for a nanohertz gravitational wave background by precisely timing an ensemble of millisecond pulsars. The next significant milestones for these experiments include characterizing the detected background with greater precision, identifying its source(s), and detecting continuous gravitational waves from individual supermassive black hole binaries. To achieve these objectives, generating accurate and precise times of arrival of pulses from pulsar observations is crucial. Incorrect polarization calibration of the observed pulsar profiles may introduce errors in the measured times of arrival. Further, previous studies (e.g., van Straten 2013; Manchester et al. 2013) have demonstrated that robust polarization calibration of pulsar profiles can reduce noise in the pulsar timing data and improve timing solutions. In this paper, we investigate and compare the impact of different polarization calibration methods on pulsar timing precision using three distinct calibration techniques: the Ideal Feed Assumption (IFA), Measurement Equation Modeling (MEM), and Measurement Equation Template Matching (METM). Three NANOGrav pulsars-PSRs J1643$-$1224, J1744$-$1134, and J1909$-$3744-observed with the 800 MHz and 1.5 GHz receivers at the Green Bank Telescope (GBT) are utilized for our analysis. Our findings reveal that all three calibration methods enhance timing precision compared to scenarios where no polarization calibration is performed. Additionally, among the three calibration methods, the IFA approach generally provides the best results for timing analysis of pulsars observed with the GBT receiver system. We attribute the comparatively poorer performance of the MEM and METM methods to potential instabilities in the reference noise diode coupled to the receiver and temporal variations in the profile of the reference pulsar, respectively., Comment: 21 pages, 6 figures, 1 table, Accepted for Publication in Astrophysical Journal

In this paper, we study the highly competitive arena of baby naming. Through making several Extremely Reasonable Assumptions (namely, that parents are myopic, perfectly knowledgeable agents who pick a name based solely on its uniqueness), we create a model which is not only tractable and clean, but also perfectly captures the real world. We then extend our investigation with numerical experiments, as well as analysis of large language model tools. We conclude by discussing avenues for future research., Comment: Accepted at SIGBOVIK 2024

Controlling the size distribution in the nucleation of copper particles is crucial for achieving nanocrystals with desired physical and chemical properties. However, their synthesis involves a complex system of solvents, ligands, and copper precursors with intertwining effects on the size of the nanoclusters. We combine molecular dynamics simulations and DFT calculations to provide insight into the nucleation mechanism in the presence of a triphenylphosphite ligand. We identify the crucial role of the strength of the metal-phosphine bond in inhibiting the cluster's growth. We demonstrate computationally several practical routes to fine-tune the bond strength by modifying the side groups of the additive. Our work provides molecular insight into the complex nucleation process of protected copper nanocrystals, which can assist in controlling their size distribution and, eventually, their morphology.

Infrequent Metadynamics is a popular method to obtain the rate of long timescale processes from accelerated simulations. The inference procedure is based on rescaling the first-passage times of Metadynamics trajectories using a bias-dependent acceleration factor. While useful in many cases, it is limited to Poisson kinetics, and a reliable estimation of the unbiased rate requires slow bias deposition and prior knowledge of efficient collective variables. Here, we propose an improved inference scheme, which is based on two key observations: 1) The time-independent rate of Poisson processes can be estimated using short trajectories only. 2) Short trajectories experience minimal bias, and their rescaled first-passage times follow the unbiased distribution even for relatively high deposition rates and suboptimal collective variables. Therefore, by limiting the inference procedure to short timescales, we obtain an improved tradeoff between speedup and accuracy at no additional computational cost, especially when employing suboptimal collective variables. We demonstrate the improved inference scheme for a model system and two molecular systems.

The radio galaxy 3C 66B has been hypothesized to host a supermassive black hole binary (SMBHB) at its center based on electromagnetic observations. Its apparent 1.05-year period and low redshift ($\sim0.02$) make it an interesting testbed to search for low-frequency gravitational waves (GWs) using Pulsar Timing Array (PTA) experiments. This source has been subjected to multiple searches for continuous GWs from a circular SMBHB, resulting in progressively more stringent constraints on its GW amplitude and chirp mass. In this paper, we develop a pipeline for performing Bayesian targeted searches for eccentric SMBHBs in PTA data sets, and test its efficacy by applying it on simulated data sets with varying injected signal strengths. We also search for a realistic eccentric SMBHB source in 3C 66B using the NANOGrav 12.5-year data set employing PTA signal models containing Earth term-only as well as Earth+Pulsar term contributions using this pipeline. Due to limitations in our PTA signal model, we get meaningful results only when the initial eccentricity $e_0<0.5$ and the symmetric mass ratio $\eta>0.1$. We find no evidence for an eccentric SMBHB signal in our data, and therefore place 95% upper limits on the PTA signal amplitude of $88.1\pm3.7$ ns for the Earth term-only and $81.74\pm0.86$ ns for the Earth+Pulsar term searches for $e_0<0.5$ and $\eta>0.1$. Similar 95% upper limits on the chirp mass are $(1.98 \pm 0.05) \times 10^9\,M_{\odot}$ and $(1.81 \pm 0.01) \times 10^9\,M_{\odot}$. These upper limits, while less stringent than those calculated from a circular binary search in the NANOGrav 12.5-year data set, are consistent with the SMBHB model of 3C 66B developed from electromagnetic observations., Comment: 27 Pages, 10 Figures, 1 Table, Accepted for publication in ApJ

We present the results of a Bayesian search for gravitational wave (GW) memory in the NANOGrav 12.5-yr data set. We find no convincing evidence for any gravitational wave memory signals in this data set (Bayes factor = 2.8). As such, we go on to place upper limits on the strain amplitude of GW memory events as a function of sky location and event epoch. These upper limits are computed using a signal model that assumes the existence of a common, spatially uncorrelated red noise in addition to a GW memory signal. The median strain upper limit as a function of sky position is approximately $3.3 \times 10^{-14}$. We also find that there are some differences in the upper limits as a function of sky position centered around PSR J0613$-$0200. This suggests that this pulsar has some excess noise which can be confounded with GW memory. Finally, the upper limits as a function of burst epoch continue to improve at later epochs. This improvement is attributable to the continued growth of the pulsar timing array., Comment: 29 pages, 5 figures

Noise characterization for pulsar-timing applications accounts for interstellar dispersion by assuming a known frequency-dependence of the delay it introduces in the times of arrival (TOAs). However, calculations of this delay suffer from mis-estimations due to other chromatic effects in the observations. The precision in modeling dispersion is dependent on the observed bandwidth. In this work, we calculate the offsets in infinite-frequency TOAs due to mis-estimations in the modeling of dispersion when using varying bandwidths at the Green Bank Telescope. We use a set of broadband observations of PSR J1643-1224, a pulsar with an excess of chromatic noise in its timing residuals. We artificially restricted these observations to a narrowband frequency range, then used both data sets to calculate residuals with a timing model that does not include short-scale dispersion variations. By fitting the resulting residuals to a dispersion model, and comparing the ensuing fitted parameters, we quantify the dispersion mis-estimations. Moreover, by calculating the autocovariance function of the parameters we obtained a characteristic timescale over which the dispersion mis-estimations are correlated. For PSR J1643-1224, which has one of the highest dispersion measures (DM) in the NANOGrav pulsar timing array, we find that the infinite-frequency TOAs suffer from a systematic offset of ~22 microseconds due to DM mis-estimations, with correlations over ~1 month. For lower-DM pulsars, the offset is ~7 microseconds. This error quantification can be used to provide more robust noise modeling in NANOGrav's data, thereby increasing sensitivity and improving parameter estimation in gravitational wave searches.

Metadynamics is a powerful method to accelerate molecular dynamics simulations, but its efficiency critically depends on the identification of collective variables that capture the slow modes of the process. Unfortunately, collective variables are usually not known a priori, and finding them can be very challenging. We recently presented a collective variables-free approach to enhanced sampling using stochastic resetting. Here, we combine the two methods for the first time, showing that it can lead to greater acceleration than either of them separately. We also demonstrate that resetting Metadynamics simulations performed with suboptimal collective variables can lead to speedups comparable with those obtained with optimal collective variables. Therefore, the application of stochastic resetting can be an alternative to the challenging task of improving suboptimal collective variables, at almost no additional computational cost. Finally, we propose a method to extract unbiased mean first-passage times from Metadynamics simulations with resetting, resulting in an improved tradeoff between speedup and accuracy. This work opens the way for combining stochastic resetting with other enhanced sampling methods to accelerate a broad range of molecular simulations.

We report on the first production of an antihydrogen beam by charge exchange of 6.1 keV antiprotons with a cloud of positronium in the GBAR experiment at CERN. The antiproton beam was delivered by the AD/ELENA facility. The positronium target was produced from a positron beam itself obtained from an electron linear accelerator. We observe an excess over background indicating antihydrogen production with a significance of 3-4 standard deviations.

We report on our monitoring of the strong-field magnetar-like pulsar PSR J1846-0258 with the Neutron Star Interior Composition Explorer (NICER) and the timing and spectral evolution during its outburst in August 2020. Phase-coherent timing solutions were maintained from March 2017 through November 2021, including a coherent solution throughout the outburst. We detected a large spin-up glitch of magnitude \Delta\nu/\nu = 3 X 10^{-6} at the start of the outburst and observed an increase in pulsed flux that reached a factor of more than 10 times the quiescent level, a behavior similar to that of the 2006 outburst. Our monitoring observations in June and July 2020 indicate that the flux was rising prior to the SWIFT announcement of the outburst on August 1, 2020. We also observed several sharp rises in the pulsed flux following the outburst and the flux reached quiescent level by November 2020. The pulse profile was observed to change shape during the outburst, returning to the pre-outburst shape by 2021. Spectral analysis of the pulsed emission of NICER data shows that the flux increases result entirely from a new black body component that gradually fades away while the power-law remains nearly constant at its quiescent level throughout the outburst. Joint spectral analysis of NICER and simultaneous NuSTAR data confirms this picture. We discuss the interpretation of the magnetar-like outburst and origin of the transient thermal component in the context of both a pulsar-like and a magnetar-like model., Comment: 14 pages, 7 figures, accepted for publication in Astrophysical Journal

For a prime number $\ell$ we introduce and study oriented right-angled Artin pro-$\ell$ groups $G_{\Gamma,\lambda}$(oriented pro-$\ell$ RAAGs for short) associated to a finite oriented graph $\Gamma$ and a continuous group homomorphism $\lambda\colon\mathbb Z_\ell\to\mathbb Z_\ell^\times$. We show that an oriented pro-$\ell$ RAAG $G_{\Gamma,\lambda}$ is a Bloch-Kato pro-$\ell$ group if, and only if, $(G_{\Gamma,\lambda},\theta_{\Gamma,\lambda})$ is an oriented pro-$\ell$ group of elementary type generalizing a recent result of I. Snopche and P. Zalesskii. Here $\theta_{\Gamma,\lambda}\colon G_{\Gamma,\lambda}\to\mathbb Z_p^\times$ denotes the canonical $\ell$-orientation on $G_{\Gamma,\lambda}$. We invest some effort in order to show that oriented right-angled Artin pro-$\ell$ groups share many properties with right-angled Artin pro-$\ell$-groups or even discrete RAAG's, e.g., if $\Gamma$ is a specially oriented chordal graph, then $G_{\Gamma,\lambda}$ is coherent, generalizing a result of C. Droms. Moreover, in this case $(G_{\Gamma,\lambda},\theta_{\Gamma,\lambda})$ has the Positselski-Bogomolov property generalizing a result of H. Servatius, C. Droms and B. Servatius for discrete RAAG's. If $\Gamma$ is a specially oriented chordal graph and ${\rm Im}(\lambda)\subseteq 1+4\mathbb Z_2$ in case that $\ell=2$, then ${\rm H}^\bullet(G_{\Gamma,\lambda},\mathbb F_\ell) \simeq \Lambda^\bullet(\ddot{\Gamma}^{\rm op})$ generalizing a well known result of M. Salvetti., Comment: The differences between the 1st version (Apr'23) and the 2nd are: correction of a couple of minor misprints, dedication to the memory of Avinoam Mann

At very low energies, a light neutral particle above a horizontal surface can experience quantum reflection. The quantum reflection holds the particle against gravity and leads to gravitational quantum states (GQS). So far, GQS were only observed with neutrons as pioneered by Nesvizhevsky and his collaborators at ILL. However, the existence of GQS is predicted also for atoms. The GRASIAN-collaboration pursues the first observation and studies of GQS of atomic hydrogen. We propose to use atoms in order to exploit the fact that orders of magnitude larger fluxes compared to those of neutrons are available. Moreover, recently the qBounce collaboration, performing GQS spectroscopy with neutrons, reported a discrepancy between theoretical calculations and experiment which deserves further investigations. For this purpose, we set up a cryogenic hydrogen beam at 6 K. We report on our preliminary results, characterizing the hydrogen beam with pulsed laser ionization diagnostics at 243 nm.

Pulsar timing array collaborations, such as the North American Nanohertz Observatory for Gravitational Waves (NANOGrav), are seeking to detect nanohertz gravitational waves emitted by supermassive black hole binaries formed in the aftermath of galaxy mergers. We have searched for continuous waves from individual circular supermassive black hole binaries using the NANOGrav's recent 12.5-year data set. We created new methods to accurately model the uncertainties on pulsar distances in our analysis, and we implemented new techniques to account for a common red noise process in pulsar timing array data sets while searching for deterministic gravitational wave signals, including continuous waves. As we found no evidence for continuous waves in our data, we placed 95\% upper limits on the strain amplitude of continuous waves emitted by these sources. At our most sensitive frequency of 7.65 nanohertz, we placed a sky-averaged limit of $h_0 < $ $(6.82 \pm 0.35) \times 10^{-15}$, and $h_0 <$ $(2.66 \pm 0.15) \times 10^{-15}$ in our most sensitive sky location. Finally, we placed a multi-messenger limit of $\mathcal{M} <$ $(1.41 \pm 0.02) \times 10^9 M_\odot$ on the chirp mass of the supermassive black hole binary candidate 3C~66B., Comment: 22 pages, 12 figures. Accepted by ApJL

The millisecond pulsar J1713+0747 underwent a sudden and significant pulse shape change between April 16 and 17, 2021 (MJDs 59320 and 59321). Subsequently, the pulse shape gradually recovered over the course of several months. We report the results of continued multi-frequency radio observations of the pulsar made using the Canadian Hydrogen Intensity Mapping Experiment (CHIME) and the 100-meter Green Bank Telescope (GBT) in a three-year period encompassing the shape change event, between February 2020 and February 2023. As of February 2023, the pulse shape had returned to a state similar to that seen before the event, but with measurable changes remaining. The amplitude of the shape change and the accompanying TOA residuals display a strong non-monotonic dependence on radio frequency, demonstrating that the event is neither a glitch (the effects of which should be independent of radio frequency, $\nu$) nor a change in dispersion measure (DM) alone (which would produce a delay proportional to $\nu^{-2}$). However, it does bear some resemblance to the two previous "chromatic timing events" observed in J1713+0747 (Demorest et al. 2013; Lam et al. 2016), as well as to a similar event observed in PSR J1643-1224 in 2015 (Shannon et al. 2016)., Comment: 18 pages, 8 figures. Submitted to ApJ. Data available at https://doi.org/10.5281/zenodo.7236459

We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations. This is often caused by broad transition time distributions in which extremely slow events have a non-negligible probability. Stochastic resetting, i.e., restarting simulations at random times, was recently shown to significantly expedite processes that follow such distributions. Here, we employ resetting for enhanced sampling of molecular simulations for the first time. We show that it accelerates long-timescale processes by up to an order of magnitude in examples ranging from simple models to molecular systems. Most importantly, we recover the mean transition time without resetting - typically too long to be sampled directly - from accelerated simulations at a single restart rate. Stochastic resetting can be used as a standalone method or combined with other sampling algorithms to further accelerate simulations.

We report the discovery of a new 5.78 ms-period millisecond pulsar (MSP), PSR J1740-5340B (NGC 6397B), in an eclipsing binary system discovered with the Parkes radio telescope (now also known as Murriyang), Australia, and confirmed with the MeerKAT radio telescope in South Africa. The measured orbital period, 1.97 days, is the longest among all eclipsing binaries in globular clusters (GCs) and consistent with that of the coincident X-ray source U18, previously suggested to be a 'hidden MSP'. Our XMM-Newton observations during NGC 6397B's radio quiescent epochs detected no X-ray flares. NGC 6397B is either a transitional MSP or an eclipsing binary in its initial stage of mass transfer after the companion star left the main sequence. The discovery of NGC 6397B potentially reveals a subgroup of extremely faint and heavily obscured binary pulsars, thus providing a plausible explanation to the apparent dearth of binary neutron stars in core-collapsed GCs as well as a critical constraint on the evolution of GCs.

We present a description of the GBAR positron (e+) trapping apparatus, which consists of a three stage Buffer Gas Trap (BGT) followed by a High Field Penning Trap (HFT), and discuss its performance. The overall goal of the GBAR experiment is to measure the acceleration of the neutral antihydrogen (H) atom in the terrestrial gravitational field by neutralising a positive antihydrogen ion (H+), which has been cooled to a low temperature, and observing the subsequent H annihilation following free fall. To produce one H+ ion, about 10^10 positrons, efficiently converted into positronium (Ps), together with about 10^7 antiprotons (p), are required. The positrons, produced from an electron linac-based system, are accumulated first in the BGT whereafter they are stacked in the ultra-high vacuum HFT, where we have been able to trap 1.4(2) x 10^9 positrons in 1100 seconds.

The GBAR experiment aims to directly test the Weak Equivalence Principle of ultracold antihydrogen in Earth's gravitational field. The gravitational acceleration $\bar{g}$ will be measured to a precision of $1\,\%$ using a classical free fall of the anti-atoms from a fixed height. Reaching a precision of $10^{-6}$ is planned by performing a "quantum free fall" experiment by detecting quantum interference of $\mathrm{\bar{H}}$ due to quantum gravitational bound states above a reflecting surface. Additionally, a $\mathrm{\bar{H}}$ Lamb shift measurement is being prepared in parallel that will allow to determine the antiproton charge radius at the level of $10\,\%$., Comment: Contribution to the 2022 Gravitation session of the 56th Rencontres de Moriond

With the recent advances in A.I. methodologies and their application to medical imaging, there has been an explosion of related research programs utilizing these techniques to produce state-of-the-art classification performance. Ultimately, these research programs culminate in submission of their work for consideration in peer reviewed journals. To date, the criteria for acceptance vs. rejection is often subjective; however, reproducible science requires reproducible review. The Machine Learning Education Sub-Committee of SIIM has identified a knowledge gap and a serious need to establish guidelines for reviewing these studies. Although there have been several recent papers with this goal, this present work is written from the machine learning practitioners standpoint. In this series, the committee will address the best practices to be followed in an A.I.-based study and present the required sections in terms of examples and discussion of what should be included to make the studies cohesive, reproducible, accurate, and self-contained. This first entry in the series focuses on the task of image classification. Elements such as dataset curation, data pre-processing steps, defining an appropriate reference standard, data partitioning, model architecture and training are discussed. The sections are presented as they would be detailed in a typical manuscript, with content describing the necessary information that should be included to make sure the study is of sufficient quality to be considered for publication. The goal of this series is to provide resources to not only help improve the review process for A.I.-based medical imaging papers, but to facilitate a standard for the information that is presented within all components of the research study. We hope to provide quantitative metrics in what otherwise may be a qualitative review process.

We report on NICER X-ray monitoring of the magnetar SGR 1830-0645 covering 223 days following its October 2020 outburst, as well as Chandra and radio observations. We present the most accurate spin ephemerides of the source so far: $\nu=0.096008680(2)$~Hz, $\dot{\nu}=-6.2(1)\times10^{-14}$~Hz~s$^{-1}$, and a significant second and third frequency derivative terms indicative of non-negligible timing noise. The phase-averaged 0.8--7~keV spectrum is well fit with a double-blackbody (BB) model throughout the campaign. The BB temperatures remain constant at 0.46 and 1.2 keV. The areas and flux of each component decreased by a factor of 6, initially through a steep decay trend lasting about 46 days followed by a shallow long-term one. The pulse shape in the same energy range is initially complex, exhibiting three distinct peaks, yet with clear continuous evolution throughout the outburst towards a simpler, single-pulse shape. The rms pulsed fraction is high and increases from about 40% to 50%. We find no dependence of pulse shape or fraction on energy. These results suggest that multiple hotspots, possibly possessing temperature gradients, emerged at outburst-onset, and shrank as the outburst decayed. We detect 84 faint bursts with \nicer, having a strong preference for occurring close to the surface emission pulse maximum the first time this phenomenon is detected in such a large burst sample. This likely implies a very low altitude for the burst emission region, and a triggering mechanism connected to the surface active zone. Finally, our radio observations at several epochs and multiple frequencies reveal no evidence of pulsed or burst-like radio emission., Comment: ApJ accepted

The Kurosh theorem for groups provides the structure of any subgroup of a free product of groups and its proof relies on Bass-Serre theory of groups acting on trees. In the case of Lie algebras, such a general theory does not exists and the Kurosh theorem is false in general, as it was first noticed by Shirshov. However, we prove that, for a class of positively graded Lie algebras satisfying certain local properties in cohomology, such a structure theorem holds true for subalgebras generated in degree 1. Such class consists of Lie algebras, which have all the subalgebras generated in degree $1$ that are Koszul.

Let p be a prime. We study pro-p groups of p-absolute Galois type, as defined by Lam-Liu-Sharifi-Wake-Wang. We prove that the pro-p completion of the right-angled Artin group associated to a chordal simplicial graph is of p-absolute Galois type, and moreover it satisfies a strong version of the Massey vanishing property. Also, we prove that Demushkin groups are of p-absolute Galois type, and that the free pro-p product -- and, under certain conditions, the direct product -- of two pro-p groups of p-absolute Galois type satisfying the Massey vanishing property is again a pro-p group of p-absolute Galois type satisfying the Massey vanishing property. Consequently, there is a plethora of pro-p groups of p-absolute Galois type satisfying the Massey vanishing property that do not occur as absolute Galois groups., Comment: Final version, as it will appear on JPAA