bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovering mechanisms for materials microstructure optimization via reinforcement learning of a generative model
Authors: Vasudevan Rama K , Orozco Erick , Kalinin Sergei V 
Published: November 2022

Abstract
The design of materials structure for optimizing functional properties and potentially, the discovery of novel behaviors is a keystone problem in materials science. In many cases microstructural models underpinning materials functionality are available and well understood. However, optimization of average properties via microstructural engineering often leads to combinatorically intractable problems. Here, we explore the use of the reinforcement learning (RL) for microstructure optimization targeting the discovery of the physical mechanisms behind enhanced functionalities. We illustrate that RL can provide insights into the mechanisms driving properties of interest in a 2D discrete Landau ferroelectrics simulator. Intriguingly, we find that non-trivial phenomena emerge if the rewards are assigned to favor physically impossible tasks, which we illustrate through rewarding RL agents to rotate polarization vectors to energetically unfavorable positions. We further find that strategies to induce polarization curl can be non-intuitive, based on analysis of learned agent policies. This study suggests that RL is a promising machine learning method for material design optimization tasks, and for better understanding the dynamics of microstructural simulations.
Unified representation of molecules and crystals for machine learning
Authors: Huo Haoyan , Rupp Matthias 
Published: November 2022

Abstract
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference calculations. For this, kernel learning approaches crucially require a representation that accommodates arbitrary atomistic systems. We introduce a many-body tensor representation that is invariant to translations, rotations, and nuclear permutations of same elements, unique, differentiable, can represent molecules and crystals, and is fast to compute. Empirical evidence for competitive energy and force prediction errors is presented for changes in molecular structure, crystal chemistry, and molecular dynamics using kernel regression and symmetric gradient-domain machine learning as models. Applicability is demonstrated for phase diagrams of Pt-group/transition-metal binary systems.
Modes of summer temperature intraseasonal oscillations and heatwaves over the Indian region
Authors: Lekshmi S , Chattopadhyay Rajib 
Published: November 2022

Abstract
Over the Indian region, the pre-monsoon (i.e. April–May) is a dry summer season. The heatwaves, as well as local temperature variations during this season, are not associated with significant large-scale convective heating like the monsoonal modes, and several studies identified several drivers of heatwaves. Heatwaves are extreme events. Are these extremes arising from low-frequency intraseasonal modes, in the same way, extreme rainfall occurs on a synoptic or intraseasonal mode during monsoon? Studies do not explicitly point out the existence of temperature intraseasonal modes during April–May over the Indian region, and it is not clear if some of the drivers of heatwaves can also explain the April–May temperature variations as derivative of some modes. This study identifies the dominant pair of the intrinsic mode of temperature intraseasonal oscillations, which can also explain the heatwave spikes. The empirical orthogonal function based modes are isolated in the detrended surface temperature data to remove the global warming mode. It was found that the subtropical jet acting as a Rossby wave guide drives the first mode with pan India spatial modal signature, while the second mode is driven by the extratropical Rossby wave modes originating from the latitudes of the eddy-driven jet. Another important result is that the first (second) mode principal component shows a significant decreasing (increasing) trend from 1981–2020 period. The observed spatial heterogeneity in warming and the trend in the spatial distribution of extreme temperature events in India could also be explained by the trend in the two modes of oscillation.
Laser-Assisted Drug Delivery in the Treatment of Scars, Rhytids, and Melasma: A Comprehensive Review of the Literature
Authors: Muskat Ahava , Kost Yana , Balazic Eliza , Cohen Joel L , Kobets Kseniya 
Published: November 2022

Abstract

Although broad reviews on laser-assisted drug delivery (LADD) have been published in the past, an updated focused examination of its utility in the context of common, treatment-resistant, dermatologic conditions has not been published. This article reports a comprehensive scoping review of the potential benefits of LADD compared to laser or drug monotherapy for the treatment of 3 such conditions: scars, rhytids, and melasma. A PubMed (National Institutes of Health; Bethesda, MD) search was conducted for keywords including “laser-assisted drug delivery,” “scar,” “rhytid,” and “melasma.” Out-of-scope studies were excluded. To evaluate the efficacy of LADD for the treatment of scars, relevant articles were categorized by scar type: hypertrophic/keloid, atrophic, and hypopigmented. LADD, with both ablative and nonablative laser types, was studied in combination with corticosteroids, botulinum toxin-A (BTX-A), 5-fluorouracil, 5-aminolevulinic acid photodynamic therapy, stem cells, platelet-rich plasma, and prostaglandin analogs for the treatment of scars. Some randomized controlled trials demonstrated the efficacy of LADD, whereas others showed no significant differences in clinical outcomes but demonstrated reduced adverse effects. Regarding rhytids, laser treatment has been combined with various cosmeceuticals, including poly-L-lactic acid, topical retinaldehyde, and topical BTX-A. The studies reviewed supported the use of LADD with these drugs over monotherapy. Some studies showed that LADD was effective for the absorption of drugs such as poly-L-lactic acid and BTX-A which are often not effective topically. For melasma treatment, LADD with tranexamic acid and hydroquinone was superior in some studies, but not significantly different than monotherapy in other studies. LADD with certain drugs could be considered to treat scars, rhytids, and melasma.

Level of Evidence: 5
Global FDR control across multiple RNAseq experiments
Authors: Liou Lathan , Hornburg Milena , Robertson David S 
Published: November 2022

AbstractMotivationWhile classical approaches for controlling the false discovery rate (FDR) of RNA sequencing (RNAseq) experiments have been well described, modern research workflows and growing databases enable a new paradigm of controlling the FDR globally across RNAseq experiments in the past, present and future. The simplest analysis strategy that analyses each RNAseq experiment separately and applies an FDR correction method can lead to inflation of the overall FDR. We propose applying recently developed methodology for online multiple hypothesis testing to control the global FDR in a principled way across multiple RNAseq experiments.ResultsWe show that repeated application of classical repeated offline approaches has variable control of global FDR of RNAseq experiments over time. We demonstrate that the online FDR algorithms are a principled way to control FDR. Furthermore, in certain simulation scenarios, we observe empirically that online approaches have comparable power to repeated offline approaches.Availability and implementationThe onlineFDR package is freely available at http://www.bioconductor.org/packages/onlineFDR. Additional code used for the simulation studies can be found at https://github.com/latlio/onlinefdr_rnaseq_simulation.Supplementary informationSupplementary data are available at Bioinformatics online.
Head-to-head efficacy and safety of rivaroxaban, apixaban, and dabigatran in an observational nationwide targeted trial
Authors: Talmor-Barkan Yeela , Yacovzada Nancy-Sarah , Rossman Hagai , Witberg Guy , Kalka Iris , Kornowski Ran , Segal Eran 
Published: November 2022

Abstract

Aims
The advantages of direct oral anticoagulants (DOACs) over warfarin are well established in atrial fibrillation (AF) patients, however, studies that can guide the selection between different DOACs are limited. The aim was to compare the clinical outcomes of treatment with apixaban, rivaroxaban, and dabigatran in patients with AF.

Methods and results
We conducted a retrospective, nationwide, propensity score-matched-based observational study from Clalit Health Services. Data from 141 992 individuals with AF was used to emulate a target trial for head-to-head comparison of DOACs therapy. Three-matched cohorts of patients assigned to DOACs, from January-2014 through January-2020, were created. One-to-one propensity score matching was performed. Efficacy/safety outcomes were compared using KaplanMeier survival estimates and Cox proportional hazards models. The trial included 56 553 patients (apixaban, n = 35 101; rivaroxaban, n = 15 682; dabigatran, n = 5 770). Mortality and ischaemic stroke rates in patients treated with rivaroxaban were lower compared with apixaban (HR,0.88; 95% CI,0.78–0.99; P,0.037 and HR 0.92; 95% CI,0.86–0.99; P,0.024, respectively). No significant differences in the rates of myocardial infarction, systemic embolism, and overall bleeding were noticed between the different DOACs groups. Patients treated with rivaroxaban demonstrated lower rate of intracranial haemorrhage compared with apixaban (HR,0.86; 95% CI,0.74–1.0; P,0.044). The rate of gastrointestinal bleeding in patients treated with rivaroxaban was higher compared with apixaban (HR, 1.22; 95% CI,1.01–1.44; P, 0.016).

Conclusion
We demonstrated significant differences in outcomes between the three studied DOACs. The results emphasize the need for randomized controlled trials that will compare rivaroxaban, apixaban, and dabigatran in order to better guide the selection among them.
Endoscopic ultrasound fine-needle biopsy vs fine-needle aspiration for lymph nodes tissue acquisition: a systematic review and meta-analysis
Authors: Facciorusso Antonio , Crinò Stefano Francesco , Gkolfakis Paraskevas , Ramai Daryl , Lisotti Andrea , Papanikolaou Ioannis S , Mangiavillano Benedetto , Tarantino Ilaria , Anderloni Andrea , Fabbri Carlo , Triantafyllou Konstantinos , Fusaroli Pietro 
Published: November 2022

Abstract

Background
Endoscopic ultrasound (EUS)-guided tissue acquisition represents the choice of methods for suspected lymph nodes (LNs) located next to the gastrointestinal tract. This study aimed to compare the pooled diagnostic performance of EUS-guided fine-needle biopsy (EUS-FNB) and fine-needle aspiration (EUS-FNA) for LNs sampling.

Methods
We searched PubMed/MedLine and Embase databases through August 2021. Primary outcome was diagnostic accuracy; secondary outcomes were sensitivity, specificity, sample adequacy, optimal histological core procurement, number of passes, and adverse events. We performed a pairwise meta-analysis using a random-effects model. The results are presented as odds ratio (OR) or mean difference along with 95% confidence interval (CI).

Results
We identified nine studies (1,276 patients) in this meta-analysis. Among these patients, 66.4% were male; the median age was 67 years. Diagnostic accuracy was not significantly different between the two approaches (OR, 1.31; 95% CI, 0.81–2.10; P = 0.270). The accuracy of EUS-FNB was significantly higher when being performed with newer end-cutting needles (OR, 1.87; 95% CI, 1.17–3.00; P = 0.009) and in abdominal LNs (OR, 2.48; 95% CI, 1.52–4.05; P &lt; 0.001) than that of EUS-FNA. No difference in terms of sample adequacy was observed between the two approaches (OR, 1.40; 95% CI, 0.46–4.26; P = 0.550); however, histological core procurement and diagnostic sensitivity with EUS-FNB were significantly higher than those with EUS-FNA (OR, 6.15; 95% CI, 1.51–25.07; P = 0.010 and OR, 1.87; 95% CI, 1.27–2.74, P = 0.001). The number of needle passes needed was significantly lower in the EUS-FNB group than in the EUS-FNA group (mean difference, −0.54; 95% CI, −0.97 to −0.12; P = 0.010).

Conclusions
EUS-FNA and EUS-FNB perform similarly in LN sampling; however, FNB performed with end-cutting needles outperformed FNA in terms of diagnostic accuracy.
Voting like Your Betters: The Bandwagon Effect in the Diet of the Holy Roman Empire
Authors: Volckart Oliver 
Published: November 2022

Abstract
Scholars agree that a core feature of the political style of the Holy Roman Empire was the focus on consensus, without which policy-making at the level of the Empire would have been impossible. This article demonstrates that the consensus on which decisions of the imperial estates was based tended to be superficial and was often in danger of breaking down. This vulnerability was a product of the diet’s open and sequential voting procedure, which allowed the bandwagon effect to distort outcomes. An analysis of the votes cast in the princes’ college at the diet of 1555 shows that low-status members of the college regularly imitated the decisions of high-status voters. Reforming the system would have required accepting that the members of the college were equals—an idea no one was prepared to countenance. Hence, superficial and transitory agreements remained a systematic feature of politics at the level of the Empire.
Digital IDs for advanced robotics systems as a regulatory infrastructure
Authors: Aldossary Abdulrahman S S 
Published: November 2022

Abstract
Artificial intelligence (AI) has been increasingly performing legitimate tasks on behalf of humans. However, the legal aspects of this task performance are critical, given the unprecedented ability of AI to self-learn and act reasonably and independently. This article therefore identifies the critical regulatory aspects of AI that authorities and policymakers should be aware of, with regard to whether AI should be regulated now or at a later stage in its development. Nevertheless, the absence of a specific law, literally designated as an Artificial Intelligence Law, does not necessarily mean that AI is unregulated. This research therefore argues that AI is already indirectly regulated in several aspects. It is subsequently found that broad regulation could be premature, given that some types of AI systems are not yet specific in their form, or have yet to mature. On a global level, it is argued in this paper that it would be sensible to establish an international organization sooner rather than later, as AI grows in complexity and becomes increasingly transnational. Therefore, this research presents some of the possible obstacles this proposed organization may face. On a national level, it is suggested that the time has come to establish a regulatory infrastructure as a pre-regulatory phase, which would render future AI regulation more feasible. In particular, AI needs to be identified under a national digital identification scheme, as this would make it more regulatable and manageable. This is a necessary step to enable the authorities to confront the myriad legal issues and challenges in the longer term. While establishing a digital ID scheme for AI systems, discussions over the liability associated with AI’s wrongful acts would be especially productive.
Simulations of Test Reduction Using Pooled Heavy Metals Analysis in Cannabis
Authors: Dupree Tom B , Assen Amanda D , Janusson Eric , Wise Amber R , Swider Josh M , Roggen Markus 
Published: November 2022

AbstractBackgroundCannabis species have a propensity to bioaccumulate toxic heavy metals from their growth media. Increased testing for these metals is required to improve the safety of the legal medical and recreational cannabis industries. However, the current methods used for mandated heavy metals tests are not efficient for a large framework. As a result, there is limited testing capacity, high testing costs, and long wait times for results across North America.ObjectiveThis study aimed to demonstrate that pooling strategies can be used to increase the throughput in cannabis testing labs and reduce some of the strain on the industry.MethodsThis paper presents an algorithm to simulate different pooling strategies. The algorithm was applied to real world data sets collected from Washington and California state testing labs.ResultsUsing a single pooling method, a pool size of three samples on average resulted in a 23.8% reduction in tests required for 100 samples for the Washington lab. For the California lab, pooling four samples on average resulted in a 54.1% reduction in tests required for 100 samples.ConclusionThe algorithms generated from the Washington and California lab data demonstrated that pooled testing strategies can be developed on a case-by-case method to reduce the time, effort, and costs associated with heavy metals tests.HighlightsThe benefits of pooled testing will vary depending on the region and rate of contamination seen in each testing lab. Overall, our results demonstrate pooled testing has the potential to reduce the fiscal costs of testing through increased efficiency, allowing increased testing, leading to greater safety.
Estimating Web Survey Mode and Panel Effects in a Nationwide Survey of Alcohol Use
Authors: ZuWallack Randal , Jans Matt , Brassell Thomas , Bailly Kisha , Dayton James , Martinez Priscilla , Patterson Deidre , Greenfield Thomas K , Karriker-Jaffe Katherine J 
Published: November 2022

AbstractRandom-digit dialing (RDD) telephone surveys are challenged by declining response rates and increasing costs. Many surveys that were traditionally conducted via telephone are seeking cost-effective alternatives, such as address-based sampling (ABS) with self-administered web or mail questionnaires. At a fraction of the cost of both telephone and ABS surveys, opt-in web panels are an attractive alternative. The 2019–2020 National Alcohol Survey (NAS) employed three methods: (1) an RDD telephone survey (traditional NAS method); (2) an ABS push-to-web survey; and (3) an opt-in web panel. The study reported here evaluated differences in the three data-collection methods, which we will refer to as “mode effects,” on alcohol consumption and health topics. To evaluate mode effects, multivariate regression models were developed predicting these characteristics, and the presence of a mode effect on each outcome was determined by the significance of the three-level effect (RDD-telephone, ABS-web, opt-in web panel) in each model. Those results were then used to adjust for mode effects and produce a “telephone-equivalent” estimate for the ABS and panel data sources. The study found that ABS-web and RDD were similar for most estimates but exhibited differences for sensitive questions including getting drunk and experiencing depression. The opt-in web panel exhibited more differences between it and the other two survey modes. One notable example is the reporting of drinking alcohol at least 3–4 times per week, which was 21 percent for RDD-phone, 24 percent for ABS-web, and 34 percent for opt-in web panel. The regression model adjusts for mode effects, improving comparability with past surveys conducted by telephone; however, the models result in higher variance of the estimates. This method of adjusting for mode effects has broad applications to mode and sample transitions throughout the survey research industry.
Direct evidence for formation of acetimidic acid and acetamide under irradiation of isolated acetonitrile–water complexes at cryogenic temperatures
Authors: Drabkin Vladimir D , Volosatova Anastasia D , Feldman Vladimir I 
Published: November 2022

ABSTRACTIn this work, we report the first direct evidence for formation of the key simplest molecule with the peptide bond (acetamide) under radiation-induced transformations occurring in the CH3CN···H2O complex isolated in an argon matrix at 6 K. The 1:1 CH3CN···H2O intermolecular complex was obtained by deposition of CH3CN/H2O/Ar mixtures and characterized by FTIR spectroscopy. The irradiation of the icy matrix with X-rays results first in formation of acetimidic acid, which is transformed to acetamide at higher absorbed doses. In addition, the products of acetonitrile oxidation (hydroxyacetonitrile and acetonitrile N-oxide) have been detected, which probably originate from the reactions of ‘hot’ radiation-induced oxygen atoms. The formation of acetamide was confirmed by deuterium isotopic substitution in acetonitrile. We believe that the observed transformation may be of basic importance for understanding the radiation-induced synthesis of prebiotic molecules in occurring in cold space media.
Supernova-remnant origin of the Galactic-Centre filaments
Authors: Sofue Yoshiaki 
Published: November 2022

ABSTRACT
The mechanism to produce the numerous Galactic-Centre filaments (GCFs) that vertically penetrate the Galactic plane without clear evidence of connection to the disc remains a mystery. Here, we show that the GCFs are explained by relics of supernova remnants (rSNRs) driven by hundreds of supernovae (SNe) that exploded in the star-forming ring of the central molecular zone at an SN rate of ∼2 × 10−4 yr−1 in the past ∼0.5 Myr. The evolution of rSNRs is simulated by the propagation of fast-mode magnetohydrodynamic waves, which are shown to converge around the Galactic rotation axis by the focusing effect. Tangential projection of the cylindrical wavefronts on the sky constitutes the vertical filaments. The SNR model explains not only the morphology, but also the non-thermal radio spectrum, smoothed brightness over the distribution area consistent with the Σ–D relation of SNR, and the heating mechanism of hot plasma. We discuss the implication of the SNR model on the study of the interstellar physics in the Galactic Centre and star-formation activity.
Heating of the intracluster medium by buoyant bubbles and sound waves
Authors: Iqbal Asif , Majumdar Subhabrata , Nath Biman B , Roychowdhury Suparna 
Published: November 2022

ABSTRACT
Active galactic nuclei (AGN) powered by the central supermassive black holes (SMBHs) play a major role in modifying the thermal properties of the intracluster medium (ICM). In this work, we implement two AGN heating models: (i) by buoyant cavities rising through stratified ICM (effervescent model) and, (ii) by viscous and conductive dissipation of sound waves (acoustic model). Our aim is to determine whether these heating models are consistent with ICM observables and if one is preferred over the other. We assume an initial entropy profile of ICM that is expected from the purely gravitational infall of the gas in the potential of the dark matter halo. We then incorporate heating, radiative cooling, and thermal conduction to study the evolution of ICM over the age of the clusters. Our results are: (i) Both the heating processes can produce comparable thermal profiles of the ICM with some tuning of relevant parameters. (ii) Thermal conduction is crucially important, even at the level of 10 per cent of the Spitzer values, in transferring the injected energy beyond the central regions, and without which the temperature/entropy profiles are unrealistically high. (iii) The required injected AGN power scales with cluster mass as $M_{\rm vir}^{1.5}$ for both models. (iv) The required AGN luminosity is comparable with the observed radio jet power, reinforcing the idea that AGNs are the dominant heating source in clusters. (v) Finally, we estimate that the fraction of the total AGN luminosity available as the AGN mechanical luminosity at 0.02 r500 is less than 0.05 per cent.