cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Field Of Study Classification (FOSC): LSTM large
Creators: name: Weber, Tobias
Publisher: name: Zenodo
Year: 2020
Subjects: subject: Machine Learning
subject: Scientometrics
subject: Python
subject: https://dewey.info/

description: Field of Study Classification (FOSC) is a python package to be used to classify a text about a research data product with regard to its field of study, examples for such texts are the abstract of a publication or the title of a dataset. This package includes binaries to be loaded into a python module to execute the predictions model.json is the tensorflow model models_weights.h5 are the weigths to that model tokenizer.bin is a serialized Python object of type
 keras_preprocessing.text.Tokenizer emb_matrix.npy is a serialized Python object of type numpy.ndarray The source code for the module and additional documentation can be found on github, including RAM requirements and expected performance of the model to estimate errors. This package contains a long-short-term-memory model of small size (sequencing the input text up to 2000 words). Its purpose is to develop applications that run on models of medium and large sizes. It not meant for production or application in research!
Constraints on small-scale primordial density fluctuation from cosmic microwave background through dark matter annihilation
Creators: name: Kawasaki, Masahiro
name: Nakatsuka, Hiromasa
name: Nakayama, Kazunori
Publisher: name: arXiv
Year: 2021
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: The cosmic microwave background (CMB) observation by the Planck satellite precisely determines primordial curvature fluctuations on larger scales than $\mathcal O(1)\,\mathrm{Mpc}$, while the small-scale curvature fluctuation is still less constrained. The constraint on small-scale fluctuations is highly improved if we assume the standard thermal relic dark matter scenario. When small-scale fluctuations are large enough, dense regions collapse to form small halos even in a redshift $z\gtrsim10^3$, which is called ultracompact minihalos. These minihalos enhance the annihilation of the dark matter and it is constrained by observations such as extragalactic gamma rays and the CMB. We revisit the effect of minihalos formed by the small-scale density fluctuations and calculate the ionization history modified by the dark matter annihilation. We perform the Markov Chain Monte Carlo method to constrain the size of small-scale curvature fluctuations by the CMB power spectrum. It is found that the constraint from the CMB power spectrum is comparable to that from the extragalactic gamma rays. We confirm that our constraint mainly comes from the energy injection in early time ($z\gtrsim 100$) and hence it is independent of the uncertainty of minihalo properties in the late time.
description: 15 pages, 8 figures
Characterization of the polarized synchrotron emission from Planck and WMAP data
Creators: name: Martire, F. A.
name: Barreiro, R. B.
name: Martínez-González, E.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: The purpose of this work is to characterize the diffuse Galactic polarized synchrotron, which is the dominant CMB foreground emission at low frequency. We present EE, BB, and EB power spectra estimated from polarization frequency maps at 23 and 30 GHz as observed respectively by the WMAP K-band and the Planck lowest frequency channel, for a set of six sky regions covering from 30% to 94% of the sky. We study the synchrotron polarization angular distribution and spectral energy distribution (SED) by means of the so-called pseudo-$C_\ell$ formalism, provided by the NaMaster package, in the multipole interval 30 $\leq$ $\ell$ $\leq$ 300. Best results are obtained cross-correlating Planck and WMAP data. The EE and BB angular power spectra show a steep decay of the spectral amplitude as a function of multipole, approximated by a power law $C^{EE,BB} \propto \ell^{α_{EE,BB}}$, with $α_{EE}= -2.95\pm0.04$ and $α_{BB}=-2.85\pm0.14$. The B/E power asymmetry is proved with a B-to-E ratio, computed as the amplitude ratio at the pivot multipole $\ell = 80$, of 0.22$\pm$0.02. The EB cross-component is compatible with zero at 1$σ$, with an upper constraint on the EB/EE ratio of 1.2% at the 2$σ$ level. We show that the EE and BB power-law model with null EB cross-correlation describes reasonably well the diffuse synchrotron polarization emission for the full sky if the bright Galactic center and point sources are masked. The recovered SED shows power-law spectral indices $β_{EE}= -3.00 \pm 0.10$ and $β_{BB} = -3.05\pm0.36$ compatible between themselves, in the frequency range 23-30 GHz. Results also seem to indicate that the SED gets steeper from low to high Galactic latitude.
Linear momentum flux from inspiralling compact binaries in quasi-elliptical orbits at 2.5 Post-Newtonian order
Creators: name: Kastha, Shilpa
Publisher: name: arXiv
Year: 2021
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: Emission of anisotropic gravitational radiation from compact binary system leads to a flux of linear momentum. This results in the recoil of the system. We investigate the rate of loss of Linear momentum flux in the far zone of the source using various mass type and current type multipole moments for inspiralling compact binary mergers in quasi-elliptical orbits at 2.5 Post Newtonian order. We compute the linear momentum flux accurate up to $\mathcal{O}(e_t)$ in harmonic coordinate. A 2.5 Post Newtonian Quasi-Keplarian representation of the parametric solution to the Post Newtonian equation of motion for the compact binary system has been adopted here. We also provide a closed-form expression for the accumulated linear momentum from the remote past through the binary evolution.
description: 19 pages
S2303: phase II/III trial of paclitaxel + ramucirumab ± nivolumab in gastric and esophageal adenocarcinoma (PARAMUNE)
Creators: name: Saeed, Anwaar
name: Colby, Sarah
name: Oberstein, Paul Eliezer
name: Duda, Dan G.
name: Park, Robin
name: Agarwal, Rajiv
name: Figueroa-Moseley, Colmar
name: Vaidya, Riha
name: Unger, Joseph M.
name: Guthrie, Katherine A.
name: Rocha, Flavio G.
name: Senthil, Maheswari
name: Safyan, Rachael A.
name: Wainberg, Zev A.
name: Iqbal, Syma
name: Chiorean, E. Gabriela
name: Philip, Philip A.
Publisher: name: Taylor & Francis
Year: 2025
Subjects: Medicine
Biological Sciences not elsewhere classified
Cancer

description: Combined anti-programmed death (PD)-1 and vascular endothelial growth factor (VEGF) inhibitor regimens are potentially synergistic and have high efficacy against various advanced solid tumors. The addition of anti-PD-1 to frontline chemotherapy became the standard of care in patients with advanced gastric/gastroesophageal junction/esophageal (G/GEJ/E) adenocarcinoma. However, whether the continuation of anti-PD-1 therapy combined with second-line ramucirumab (anti-VEGFR-2 antibody) and paclitaxel chemotherapy has clinical benefits remains an open question. PARAMUNE is a randomized phase II/III study evaluating the efficacy of nivolumab combined with paclitaxel and ramucirumab compared to paclitaxel and ramucirumab in second-line PD-L1 combined positive score (CPS) ≥ 1, human epidermal growth factor receptor (HER)-2 negative advanced G/GEJ/E adenocarcinoma. The primary endpoints are progression-free survival (PFS) and overall survival (OS) for the phase II and phase III parts, respectively. NCT06203600. Cancer of the stomach and esophagus is aggressive with poor patient outcomes. Historically, the treatment for such patients has involved the use of combined chemotherapy. In recent years, the addition of immunotherapy to the treatment of patients with advanced cancers of the stomach and esophagus has led to patients living longer with a longer period without tumor growth. However, whether continuing the immunotherapy after the tumor has grown while on treatment is beneficial or not is a question that has not been answered. The standard treatment after patients’ tumor has grown on their initial treatment involves a drug called ramucirumab, which blocks the ability of cancer cells to create abnormal blood vessels around itself to support its own growth. Recent research suggests that drugs like ramucirumab make immunotherapy more effective. To test whether continuing immunotherapy in combination with this “second-line” treatment that includes ramucirumab, we have designed a study to compare whether one group who will receive immunotherapy will live longer versus another group who will not receive immunotherapy.
Seeing biodiversity: perspectives in machine learning for wildlife conservation
Creators: name: Tuia, Devis
name: Kellenberger, Benjamin
name: Beery, Sara
name: Costelloe, Blair R.
name: Zuffi, Silvia
name: Risse, Benjamin
name: Mathis, Alexander
name: Mathis, Mackenzie W.
name: van Langevelde, Frank
name: Burghardt, Tilo
name: Kays, Roland
name: Klinck, Holger
name: Wikelski, Martin
name: Couzin, Iain D.
name: van Horn, Grant
name: Crofoot, Margaret C.
name: Stewart, Charles V.
name: Berger-Wolf, Tanya
Publisher: name: arXiv
Year: 2021
Subjects: subject: Machine Learning (cs.LG)
subject: Computer Vision and Pattern Recognition (cs.CV)
subject: FOS: Computer and information sciences

description: Data acquisition in animal ecology is rapidly accelerating due to inexpensive and accessible sensors such as smartphones, drones, satellites, audio recorders and bio-logging devices. These new technologies and the data they generate hold great potential for large-scale environmental monitoring and understanding, but are limited by current data processing approaches which are inefficient in how they ingest, digest, and distill data into relevant information. We argue that machine learning, and especially deep learning approaches, can meet this analytic challenge to enhance our understanding, monitoring capacity, and conservation of wildlife species. Incorporating machine learning into ecological workflows could improve inputs for population and behavior models and eventually lead to integrated hybrid modeling tools, with ecological models acting as constraints for machine learning models and the latter providing data-supported insights. In essence, by combining new machine learning approaches with ecological domain knowledge, animal ecologists can capitalize on the abundance of data generated by modern sensor technologies in order to reliably estimate population abundances, study animal behavior and mitigate human/wildlife conflicts. To succeed, this approach will require close collaboration and cross-disciplinary education between the computer science and animal ecology communities in order to ensure the quality of machine learning approaches and train a new generation of data scientists in ecology and conservation.
Dispersion properties of neutron star magnetospheric plasmas with relativistic kappa distribution
Creators: name: Mousavi, M.
name: Benáček, J.
Publisher: name: arXiv
Year: 2024
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences
subject: I.6.4; G.1.8
subject: 85A25 Radiative transfer in astronomy and astrophysics

description: The various distribution functions can encompass the diverse characteristics of the magnetospheric plasma of surrounding neutron stars in both hot and cold environments; however, the Maxwell-Jüttner distribution is so far widely used to characterize these plasmas. We aim to analyze the linear dispersion properties yielded from the relativistic kinetic dispersion relation for the neutron star magnetospheric plasmas. We developed a numerical dispersion solver to investigate plasmas with arbitrary velocity distributions and focus on the comparison of relativistic kappa and Maxwell-Jüttner distribution functions as analytical representatives. By considering different kappa distribution indices and using analytical and numerical approaches, the dispersion properties of the kappa and Maxwell-Jüttner distributions approach each other for high wave numbers and low temperatures, indicating that the choice of distribution functions has little effect on high wave numbers $ck/ω_p \gg 1$ and high inverse temperatures $ρ=100$. However, each distribution function exhibits unique yet complementary properties in semi-relativistic to relativistic inverse temperatures $ρ\leq 10^{-1}$ and at lower wave numbers $ck/ω_p\leq 1$. This highlights the necessity of utilizing such a dispersion solver for these wave numbers to properly comprehend the dispersion properties of the neutron star magnetospheric plasmas.
description: 13 pages, 8 figures, submitted to AIP Publishing - Physics of Plasmas
Large Charges on the Wilson Loop in $\mathcal{N}=4$ SYM: Matrix Model and Classical String
Creators: name: Giombi, Simone
name: Komatsu, Shota
name: Offertaler, Bendeguz
Publisher: name: arXiv
Year: 2021
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We study the large charge sector of the defect CFT defined by the half-BPS Wilson loop in planar $\mathcal{N}=4$ supersymmetric Yang-Mills theory. Specifically, we consider correlation functions of two large charge insertions and several light insertions in the double-scaling limit where the 't Hooft coupling $λ$ and the large charge $J$ are sent to infinity, with the ratio $J/\sqrtλ$ held fixed. They are holographically dual to the expectation values of light vertex operators on a classical string solution with large angular momentum, which we evaluate in the leading large $J$ limit. We also compute the two-point function of large charge insertions by evaluating the on-shell string action, supplemented by the boundary terms that generalize the one introduced by Drukker, Gross and Ooguri for the Wilson loop without insertions. For a special class of correlation functions, we reproduce the string results from field theory by using supersymmetric localization. The results are given by correlation functions in an "emergent" matrix model whose matrix size is proportional to $J$ and whose spectral curve coincides with that of the classical string. Similar matrix models appeared in the study of extremal correlators in rank-1 $\mathcal{N}=2$ superconformal field theories, but our results hold also for non-extremal cases.
description: 60 pages, 6 figures; v2: footnote 4 edited, reference added
Clinical and molecular monitoring of Plasmodium falciparum resistance to antimalarial drug (artesunate+sulphadoxine-pyrimethamine) in two highly malarious district of Madhya Pradesh, Central India from 2012–2014
Creators: name: Mishra, Sweta
name: Bharti, Praveen K.
name: Shukla, Man M.
name: Nazia A. Ali
name: Sher S. Kashyotia
name: Avdhesh Kumar
name: Akshay C. Dhariwal
name: Singh, Neeru
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: Computational Biology

description: The spread of P. falciparum resistant strain has led to a significant resurgence of malaria morbidity and mortality. The current cornerstone in malaria treatment in India is Artemisinin based Combination (Artesunate + Sulphadoxine-Pyrimethamine) Therapy (ACT) for treatment of uncomplicated P. falciparum malaria since 2010. In the present study we assessed the therapeutic efficacy of ACT and molecular monitoring of antimalarial resistance. Therapeutic efficacy was determined by in vivo method using 28 days follow-up. Molecular genotyping of dihydrofolate reductase (dhfr), dihydropteroate synthase (dhps) and kelch13 genes were analyzed. msp-1 and msp-2 genotyping were used to differentiate recrudescence. Therapeutic efficacy of ACT was determined in 237 patients over the three year period. Most of the patients showed adequate clinical and parasitological response (99.6%). Molecular study revealed that 72% parasites were of mutant genotype (27.2% single mutants, 43.5% double mutants and 1.3% triple mutants) for pfdhfr while pfdhps showed 78.2% wild type alleles and 21.8% mutants (18.1% single mutants and 3.7% double mutants). Analysis of total 135 samples revealed mutation in k13 gene along with non-synonymous single mutation at codon M579T (1.5%) and double mutations at codon M579T & N657H in 37%. ACT remains effective for the treatment of uncomplicated P. falciparum malaria in Madhya Pradesh, Central India. However, increasing mutation in pfdhfr (particularly triple mutations) and pfdhps may reduce susceptibility to partner drug SP and mutation in k13 propeller gene, highlighting the need for continuous monitoring of the efficacy of ACT.
Field Of Study Classification (FOSC): MLP large
Creators: name: Weber, Tobias
Publisher: name: Zenodo
Year: 2020
Subjects: subject: Machine Learning
subject: Scientometrics
subject: Python
subject: https://dewey.info/

description: Field of Study PREDiction (FOSPRED) is a python module to be used to predict the field of study given a text about a research data product, such as the abstract of a publication or the title of a dataset. This package includes binaries to be loaded into a python module to execute the predictions model.json is the tensorflow model models_weights.h5 are the weigths to that model vectorizer.bin is a serialized Python object of type sklearn.feature_extraction.text.TfidfVectorizer selector.bin is a serialized Python object of type sklearn.feature_selection.univariate_selection.SelectKBest The source code for the module and additional documentation can be found on github, including RAM requirements and expected performance of the model to estimate errors. This package contains a multi-layer perceptron model of small size (input layer has a vector of length 100.000).
A machine learning method for real-time numerical simulations of cardiac electromechanics
Creators: name: Regazzoni, Francesco
name: Salvador, Matteo
name: Dedè, Luca
name: Quarteroni, Alfio
Publisher: name: arXiv
Year: 2021
Subjects: subject: Numerical Analysis (math.NA)
subject: Quantitative Methods (q-bio.QM)
subject: FOS: Mathematics
subject: FOS: Biological sciences

description: We propose a machine learning-based method to build a system of differential equations that approximates the dynamics of 3D electromechanical models for the human heart, accounting for the dependence on a set of parameters. Specifically, our method permits to create a reduced-order model (ROM), written as a system of Ordinary Differential Equations (ODEs) wherein the forcing term, given by the right-hand side, consists of an Artificial Neural Network (ANN), that possibly depends on a set of parameters associated with the electromechanical model to be surrogated. This method is non-intrusive, as it only requires a collection of pressure and volume transients obtained from the full-order model (FOM) of cardiac electromechanics. Once trained, the ANN-based ROM can be coupled with hemodynamic models for the blood circulation external to the heart, in the same manner as the original electromechanical model, but at a dramatically lower computational cost. Indeed, our method allows for real-time numerical simulations of the cardiac function. We demonstrate the effectiveness of the proposed method on two relevant contexts in cardiac modeling. First, we employ the ANN-based ROM to perform a global sensitivity analysis on both the electromechanical and hemodynamic models. Second, we perform a Bayesian estimation of two parameters starting from noisy measurements of two scalar outputs. In both these cases, replacing the FOM of cardiac electromechanics with the ANN-based ROM makes it possible to perform in a few hours of computational time all the numerical simulations that would be otherwise unaffordable, because of their overwhelming computational cost, if carried out with the FOM. As a matter of fact, our ANN-based ROM is able to speedup the numerical simulations by more than three orders of magnitude.
Spatially heterogeneous dynamics and locally arrested density fluctuations from first-principles
Creators: name: Lira-Escobedo, J.
name: Velez-Cordero, J. R.
name: Ramírez-González, Pedro E.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: We present a first-principles formalism for studying dynamical heterogeneities in glass forming liquids. Based on the Non-Equilibrium Self-Consistent Generalized Langevin Equation theory, we were able to describe the time-dependent local density profile during the particle interchange among small regions of the fluid. The final form of the diffusion equation contains both, the contribution of the chemical potential gradient written in terms of a coarse-grained density and a collective diffusion coefficient as well as the effect of a history-dependent mobility factor. With this diffusion equation we captured interesting phenomena in glass forming liquids such as the cases when a strong density gradient is accompanied with a very low mobility factor attributable to the denser part: in such circumstances the density profile falls into an arrested state even in the presence of a density gradient. On the other hand, we also show that above a certain critical temperature,which depends on the volume fraction, any density heterogeneity relaxes to a uniform state in a finite time, known as equilibration time. We further show that such equilibration time varies little with the temperature in diluted systems but can change drastically with temperature in concentrated systems.
Supplemental material for: Characterization of Legionella from watersheds in British Columbia, Canada
Creators: name: Peabody, Michael A.
name: Caravas, Jason A.
name: Shatavia S. Morrison
name: Mercante, Jeffrey W.
name: Prystajecky, Natalie A.
name: Raphael, Brian H.
name: Brinkman, Fiona S.L.
Publisher: name: figshare
Year: 2017
Subjects: subject: 60504 Microbial Ecology
subject: FOS: Biological sciences

description: Supplemental material for the paper: Characterization of Legionella from watersheds in British Columbia, Canada. Contains Tables S1-S3 and Figures S1-S3.
Structure and magnetic studies of geometrically frustrated disordered pyrochlores A$_{2}$Zr$_{2}$O$_{7}$: (A = Eu, Gd, Er)
Creators: name: Sheetal
name: Yadav, C. S.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Materials Science (cond-mat.mtrl-sci)
subject: FOS: Physical sciences

description: The spin ice system Dy$_{2}$Ti$_{2}$O$_{7}$ exhibits strong frequency-dependent spin-freezing at $\sim$ 16 K temperature. Although it has been a matter of discussion for years, the origin of this unusual spin freezing is still unknown. The replacement of Ti with isovalent Zr leads to the dynamic magnetic ground state at low temperatures in Dy$_{2}$Zr$_{2}$O$_{7}$ and prevents the formation of high-temperature spin freezing. Interestingly the high-temperature spin freezing re-emerges in the presence of the magnetic field. In this direction, we have studied a series of disordered pyrochlore oxides A$_{2}$Zr$_{2}$O$_{7}$ (A = Eu, Gd, Er) and compared their crystal structure, magnetic, and heat capacity behavior with that of Dy$_{2}$Zr$_{2}$O$_{7}$ and Ho$_{2}$Zr$_{2}$O$_{7}$ systems. Our study shows that depending on the disordered parameter, the spin-freezing behavior can be retained by slowing down the spin dynamic with a suitable choice of the magnetic field. We observe that unlike titanates, modification at the rare earth site does not make considerable change in the magnetic ground state of these zirconates compounds.
description: 7 pages, 8 figures
Entangled photons from composite cascade emitters
Creators: name: Wang, Derek S
name: Anali, Inci
name: Yelin, Susanne F
Publisher: name: arXiv
Year: 2021
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Entangled photons are crucial for quantum technologies, but generating arbitrary entangled photon states deterministically, efficiently, and with high fidelity remains a challenge. Here, we demonstrate how hybridization and dipole-dipole interactions -- potentially simultaneously available in colloidal quantum dots and molecular aggregates -- leveraged in conjunction can couple simple, well understood emitters into composite emitters with flexible control over the level structure. We show that cascade decay through carefully designed level structures can result in emission of frequency-entangled photons with Bell states and three-photon GHZ states as example cases. These results pave the way toward rational design of quantum optical emitters of arbitrarily entangled photons.
description: 10 pages, 4 figures
Supplementary document for Deep learning-based classification of anterior chamber angle in glaucoma gonioscopy - 5874567.pdf
Creators: name: Zhou, Quan
name: Guo, JingMin
name: Chen, Zhiqi
name: Chen, Wei
name: Deng, Chaohua
name: Yu, Tian
name: Li, Fei
name: Yan, Xiaoqin
name: Hu, Tian
name: Wang, Linhao
Publisher: name: Optica Publishing Group
Year: 2022
Subjects: Uncategorized

description: Supplement 1
Modulation theory for soliton resonance and Mach reflection
Creators: name: Ryskamp, Samuel J.
name: Hoefer, Mark A.
name: Biondini, Gino
Publisher: name: arXiv
Year: 2021
Subjects: subject: Pattern Formation and Solitons (nlin.PS)
subject: FOS: Physical sciences

description: Resonant Y-shaped soliton solutions to the Kadomtsev-Petviashvili II (KPII) equation are modelled as shock solutions to an infinite family of modulation conservation laws. The fully two-dimensional soliton modulation equations, valid in the zero dispersion limit of the KPII equation, are demonstrated to reduce to a one-dimensional system. In this same limit, the rapid transition from the larger Y soliton stem to the two smaller legs limits to a travelling discontinuity. This discontinuity is a multivalued, weak solution satisfying modified Rankine-Hugoniot jump conditions for the one-dimensional modulation equations. These results are applied to analytically describe the dynamics of the Mach reflection problem, V-shaped initial conditions that correspond to a soliton incident upon an inward oblique corner. Modulation theory results show excellent agreement with direct KPII numerical simulation.
Integer linear programming for unsupervised training set selection in molecular machine learning
Creators: name: Haeberle, Matthieu
name: van Gerwen, Puck
name: Laplaza, Ruben
name: Briling, Ksenia R.
name: Weinreich, Jan
name: Eisenbrand, Friedrich
name: Corminboeuf, Clemence
Publisher: name: arXiv
Year: 2024
Subjects: subject: Chemical Physics (physics.chem-ph)
subject: Machine Learning (cs.LG)
subject: FOS: Physical sciences
subject: FOS: Computer and information sciences

description: Integer linear programming (ILP) is an elegant approach to solve linear optimization problems, naturally described using integer decision variables. Within the context of physics-inspired machine learning applied to chemistry, we demonstrate the relevance of an ILP formulation to select molecular training sets for predictions of size-extensive properties. We show that our algorithm outperforms existing unsupervised training set selection approaches, especially when predicting properties of molecules larger than those present in the training set. We argue that the reason for the improved performance is due to the selection that is based on the notion of local similarity (i.e., per-atom) and a unique ILP approach that finds optimal solutions efficiently. Altogether, this work provides a practical algorithm to improve the performance of physics-inspired machine learning models and offers insights into the conceptual differences with existing training set selection approaches.
description: 29 pages + SI (15 pages)
Evaluation of biofidelity of THUMS pedestrian model under a whole-body impact conditions with a generic sedan buck
Creators: name: Taotao Wu
name: Taewung Kim
name: Varun Bollapragada
name: Poulard, David
name: Huipeng Chen
name: Panzer, Matthew B.
name: Forman, Jason L.
name: Crandall, Jeff R.
name: Pipkorn, Bengt
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Medicine
subject: Neuroscience
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 111714 Mental Health
subject: FOS: Health sciences

description: Objective: The goal of this study was to evaluate the biofidelity of the Total Human Model for Safety (THUMS; Ver. 4.01) pedestrian finite element models (PFEM) in a whole-body pedestrian impact condition using a well-characterized generic pedestrian buck model. Methods: The biofidelity of THUMS PFEM was evaluated with respect to data from 3 full-scale postmortem human subject (PMHS) pedestrian impact tests, in which a pedestrian buck laterally struck the subjects using a pedestrian buck at 40 km/h. The pedestrian model was scaled to match the anthropometry of the target subjects and then positioned to match the pre-impact postures of the target subjects based on the 3-dimensional motion tracking data obtained during the experiments. An objective rating method was employed to quantitatively evaluate the correlation between the responses of the models and the PMHS. Injuries in the models were predicted both probabilistically and deterministically using empirical injury risk functions and strain measures, respectively, and compared with those of the target PMHS. Results: In general, the model exhibited biofidelic kinematic responses (in the Y–Z plane) regarding trajectories (International Organization for Standardization [ISO] ratings: Y = 0.90 ± 0.11, Z = 0.89 ± 0.09), linear resultant velocities (ISO ratings: 0.83 ± 0.07), accelerations (ISO ratings: Y = 0.58 ± 0.11, Z = 0.52 ± 0.12), and angular velocities (ISO ratings: X = 0.48 ± 0.13) but exhibited stiffer leg responses and delayed head responses compared to those of the PMHS. This indicates potential biofidelity issues with the PFEM for regions below the knee and in the neck. The model also demonstrated comparable reaction forces at the buck front-end regions to those from the PMHS tests. The PFEM generally predicted the injuries that the PMHS sustained but overestimated injuries in the ankle and leg regions. Conclusions: Based on the data considered, the THUMS PFEM was considered to be biofidelic for this pedestrian impact condition and vehicle. Given the capability of the model to reproduce biomechanical responses, it shows potential as a valuable tool for developing novel pedestrian safety systems.
A robust protocol for entropy measurement in mesoscopic circuits
Creators: name: Child, Tim
name: Sheekey, Owen
name: Lüscher, Silvia
name: Fallahi, Saeed
name: Gardner, Geoffrey C.
name: Manfra, Michael
name: Folk, Joshua
Publisher: name: arXiv
Year: 2021
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: Previous measurements utilizing Maxwell relations to measure change in entropy, $S$, demonstrated remarkable accuracy of measuring the spin-1/2 entropy of electrons in a weakly coupled quantum dot. However, these previous measurements relied upon prior knowledge of the charge transition lineshape. This had the benefit of making the determination of entropy independent of measurement scaling, but at the cost of limiting the applicability of the approach to relatively simple systems. To measure entropy of more exotic mesoscopic systems, a new analysis technique can be employed; however, doing so requires precise knowledge of the measurement scaling. Here, we give details on the necessary improvements made to the original experimental approach and highlight some of the common challenges (along with strategies to overcome them) that other groups may face when attempting this type of measurement.
Impacts of peak-flow events on hyporheic denitrification potential
Creators: name: Singh, Tanu
name: Gupta, Shubhangi
name: Chiogna, Gabriele
name: Krause, Stefan
name: Wohlmuth, Barbara
Publisher: name: arXiv
Year: 2021
Subjects: subject: Geophysics (physics.geo-ph)
subject: FOS: Physical sciences

description: Subsurface flows, particularly hyporheic exchange fluxes, driven by streambed topography, permeability, channel gradient and dynamic flow conditions provide prominent ecological services such as nitrate removal from streams and aquifers. Stream flow dynamics cause strongly nonlinear and often episodic contributions of nutrient concentrations in river-aquifer systems. Using a fully coupled transient flow and reactive transport model, we investigated the denitrification potential of hyporheic zones during peak-flow events. The effects of streambed permeability, channel gradient and bedform amplitude on the spatio-temporal distribution of nitrate and dissolved organic carbon in streambeds and the associated denitrification potential were explored. Distinct peak-flow events with different intensity, duration and hydrograph shape were selected to represent a wide range of peak-flow scenarios. Our results indicated that the specific hydrodynamic characteristics of individual flow events largely determine the average positive or negative nitrate removal capacity of hyporheic zones, however the magnitude of this capacity is controlled by geomorphological settings (i.e. channel slope, streambed permeability and bedform amplitude). Specifically, events with longer duration and higher intensity were shown to promote higher nitrate removal efficiency with higher magnitude of removal efficiency in the scenarios with higher slope and permeability values. These results are essential for better assessment of the subsurface nitrate removal capacity under the influence of flow dynamics and particularly peak-flow events in order to provide tailored solutions for effective restoration of interconnected river-aquifer systems.
Observation of Chemical Reactions between a Trapped Ion and Ultracold Feshbach Dimers
Creators: name: Hirzler, H.
name: Lous, R. S.
name: Trimby, E.
name: Pérez-Ríos, J.
name: Safavi-Naini, A.
name: Gerritsma, R.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Atomic Physics (physics.atom-ph)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We measure chemical reactions between a single trapped $^{174}$Yb$^+$ ion immersed in an ultracold bath of $^6$Li atoms containing trace amounts of Li$_2$ dimers. This produces LiYb$^+$ molecular ions that we detect via mass spectrometry. We explain the reaction rates by modelling the dimer density as a function of the magnetic field and obtain excellent agreement when we assume the reaction to follow the Langevin rate. Our results present a novel approach towards the creation of cold molecular ions and point to the exploration of ultracold chemistry in ion molecule collisions. What is more, with a detection sensitivity below molecule densities of $10^{14}\,\mathrm{m}^{-3}$, we provide a new method to detect low-density molecular gases.
description: 10 pages, 8 figures
Closed form perturbation theory in the restricted three-body problem without relegation
Creators: name: Cavallari, Irene
name: Efthymiopoulos, Christos
Publisher: name: arXiv
Year: 2021
Subjects: subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: Mathematical Physics (math-ph)
subject: Dynamical Systems (math.DS)
subject: FOS: Physical sciences
subject: FOS: Mathematics

description: We propose a closed-form normalization method suitable for the study of the secular dynamics of small bodies in heliocentric orbits perturbed by the tidal potential of a planet with orbit external to the orbit of the small body. The method makes no use of relegation, thus, circumventing all convergence issues related to that technique. The method is based on a convenient use of a book-keeping parameter keeping simultaneously track of all the small quantities in the problem. The book-keeping affects both the Lie series and the Poisson structure employed in successive perturbative steps. In particular, it affects the definition of the normal form remainder at every normalization step. We show the results obtained by assuming Jupiter as perturbing planet and we discuss the validity and limits of the method.
Phenoxychromone and 4-hydroxyisoflavans from the roots of Glycyrrhiza uralensis
Creators: name: Ali, Zulfiqar
name: Hawwal, Mohammed
name: Avula, Bharathi
name: Chittiboyina, Amar G.
name: Li, Jing
name: Wu, Charles
name: Khan, Ikhlas A.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Environmental Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Plant Biology

description: In an attempt to find species specific markers, a phenoxychromone (1) and eight isoflavonoids including six isoflavans (2-7) and two isoflavanones (8 and 9) were isolated from the root of Glycyrrhiza uralensis. Among the isolated phenolic compounds, glycyurelone (1), glycyurelvanins A and B (2 and 3) were found to be undescribed while others, (−)-vestitol (4), conferol A (5), glyasperin C (6), glyasperin D (7), (−)-licoisoflavanone (8), and (−)-3'-(γ,γ-dimethylallyl)kievitone (9) were previously reported. All compounds except 4 and 5 were prenylated and majority of these possess isoflavan scaffold with highly conserved stereo specificity at C-3 center. Structure elucidation was mainly based on extensive NMR, ECD and mass spectral data analysis.
Cohomologies and crossed modules for pre-Lie Rinehart algebras
Creators: name: Chen, Liangyun
name: Liu, Meijun
name: Liu, Jiefeng
Publisher: name: arXiv
Year: 2021
Subjects: subject: Rings and Algebras (math.RA)
subject: Quantum Algebra (math.QA)
subject: FOS: Mathematics
subject: 17A30, 17A65, 17B63

description: A pre-Lie-Rinehart algebra is an algebraic generalization of the notion of a left-symmetric algebroid. We construct pre-Lie-Rinehart algebras from r-matrices through Lie algebra actions. We study cohomologies of pre-Lie-Rinehart algebras and show that abelian extensions of pre-Lie-Rinehart algebras are classified by the second cohomology groups. We introduce the notion of crossed modules for pre-Lie-Rinehart algebras and show that they are classified by the third cohomology groups of pre-Lie-Rinehart algebras. At last, we use (pre-)Lie-Rinehart 2-algebras to characterize the crossed modules for (pre-)Lie Rinehart algebras.
description: 23 pages, we add a reference on pre-Lie-Rinehart algebra (or left-symmetric Rinehart algebra). See [2] for more details
Exact solution of the Rule 150 reversible cellular automaton
Creators: name: Wilkinson, Joseph W. P.
name: Prosen, Tomaž
name: Garrahan, Juan P.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Mathematical Physics (math-ph)
subject: Cellular Automata and Lattice Gases (nlin.CG)
subject: Exactly Solvable and Integrable Systems (nlin.SI)
subject: FOS: Physical sciences

description: We study the dynamics of the Rule 150 reversible cellular automaton (RCA). This is a one-dimensional lattice system of binary variables with synchronous (Floquet) dynamics, corresponding to a bulk deterministic and reversible discrete version of the kinetically constrained XOR-Fredrickson-Andersen model, whereby the local dynamics is restricted: a site flips if and only if the states of its neighbouring sites are different from each other. Like other RCA which have been studied recently, such as Rule 54 and Rule 201, Rule 150 is integrable, however, in contrast is noninteracting. In particular, the emergent quasiparticles - the domain walls - behave as free fermions. This then allows us to solve the model by means of matrix product ansätze. We find the exact equilibrium and nonequilibrium stationary states for systems with closed (periodic) and open (stochastic) boundaries, respectively, resolve the full spectrum of the time evolution operator and, therefore, gain access to the relaxation dynamics, and obtain the exact large deviation statistics of dynamical observables in the long time limit.
description: 36 pages, 9 figures, 8 appendices
Prospects in the search for a new light $Z'$ boson with the NA64$μ$ experiment at the CERN SPS
Creators: name: Sieber, H.
name: Banerjee, D.
name: Crivelli, P.
name: Depero, E.
name: Gninenko, S. N.
name: Kirpichnikov, D. V.
name: Kirsanov, M. M.
name: Poliakov, V.
name: Bueno, L. Molina
Publisher: name: arXiv
Year: 2021
Subjects: subject: High Energy Physics - Experiment (hep-ex)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: A light $Z'$ vector boson coupled to the second and third lepton generations through $L_μ-L_τ$ current with mass below 200 MeV provides a very viable explanation in terms of new physics to the recently confirmed $(g-2)_μ$ anomaly. This boson can be produced in the bremsstrahlung reaction $μN \rightarrow μN Z'$ after a high energy muon beam collides with a target. NA64$μ$ is a fixed-target experiment using a 160 GeV muon beam from the CERN Super Proton Synchrotron accelerator looking for the $Z'$ production and its subsequent decays, $Z'\rightarrow invisible$. In this paper, we present the study of the NA64$μ$ sensitivity to search for such a $Z'$. This includes a realistic beam simulation, the detailed detectors description and a discussion about the main potential background sources. A pilot run is scheduled in order to validate the simulation results. If those are confirmed, NA64$μ$ will be able to explore all the remaining phase space which could provide an explanation for the $g-2$ muon anomaly.
Using the Optical--NIR Spectral Energy Distributions To Search for the Evidence of Dust Formation of 66 Supernovae
Creators: name: Li, Jing-Yao
name: Wang, Shan-Qin
name: Gan, Wen-Pei
name: Wang, Tao
name: Lian, Ji-Shun
name: Bai, Song-Yao
name: Liang, En-Wei
Publisher: name: arXiv
Year: 2021
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: In this paper, we searched for the dust formation evidence of 66 supernovae (SNe) by using the blackbody model and the blackbody plus dust {emission} model to fit their early$-$time optical$-$near infrared (NIR) spectral energy distributions (SEDs). We find that, while the blackbody model can fit most SEDs of the SNe in our sample, the model cannot fit the SEDs of some SNe, in which the SEDs of 2 SNe (SNe~2010bq and 2012ca) show NIR excesses which can be attributed to the emission from the heated dust. We use blackbody plus dust emission model to fit the SEDs showing NIR excesses, finding that both graphite and silicate dust models can fit the SEDs, and the graphite model get reasonable temperatures or better fits. Assuming that the dust is graphite, the best-fitting temperatures (masses) of the dust of the SNe~2010bq and 2012ca are $\sim 1300-1800$ K ($\sim 0.1-3.4 \times 10^{-4}$ M$_\odot$) and $\sim 600-1000$ K ($\sim 0.6-7.5 \times 10^{-3}$ M$_\odot$), respectively. We compare the vaporization radii and the blackbody radii of the dust shells of the 2 SNe with the upper limits of the ejecta radii of the SNe at the first epochs, and demonstrate that the NIR excesses of the SEDs of the 2 SNe might be caused by the pre-existing dust.
description: Accepted for publication in ApJ, 48 pages, 12 figures, 5 tables
Methane formation in cold regions from carbon atoms and molecular hydrogen
Creators: name: Lamberts, Thanja
name: Fedoseev, Gleb
name: van Hemert, Marc
name: Qasim, Danna
name: Chuang, Ko-Ju
name: Santos, Julia C.
name: Linnartz, Harold
Publisher: name: arXiv
Year: 2021
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: Methane is typically thought to be formed in the solid state on the surface of cold interstellar icy grain mantles via the successive atomic hydrogenation of a carbon atom. In the current work we investigate the potential role of molecular hydrogen in the CH$_4$ reaction network. We make use of an ultra-high vacuum cryogenic setup combining an atomic carbon atom beam and both atomic and/or molecular beams of hydrogen and deuterium on a H$_2$O ice. These experiments lead to the formation of methane isotopologues detected in situ through reflection absorption infrared spectroscopy. Most notably, CH$_4$ is formed in an experiment combining C atoms with H$_2$ on amorphous solid water, albeit slower than in experiments with H atoms present. Furthermore, CH$_2$D$_2$ is detected in an experiment of C atoms with H$_2$ and D$_2$ on H$_2$O ice. CD$_4$, however, is only formed when D atoms are present in the experiment. These findings have been rationalized by means of computational chemical insights. This leads to the following conclusions: a) the reaction C + H$_2$ -> CH$_2$ can take place, although not barrierless in the presence of water, b) the reaction CH + H$_2$ -> CH$_3$ is barrierless, but has not yet been included in astrochemical models, c) the reactions CH$_2$ + H$_2$ -> CH$_3$ + H and CH$_3$ + H$_2$ -> CH$_4$ + H can take place only via a tunneling mechanism and d) molecular hydrogen possibly plays a more important role in the solid-state formation of methane than assumed so far.
description: Submitted to ApJ
The spatial structure of electrostatically forced Faraday waves
Creators: name: Dehe, S.
name: Hartmann, M.
name: Bandopadhyay, A.
name: Hardt, S.
Publisher: name: arXiv
Year: 2021
Subjects: subject: Fluid Dynamics (physics.flu-dyn)
subject: FOS: Physical sciences

description: The instability of the interface between a dielectric and a conducting liquid, excited by a spatially homogeneous interface-normal time-periodic electric field, is studied based on experiments and theory. Special attention is paid to the spatial structure of the excited Faraday waves. The dominant modes of the instability are extracted using high-speed imaging in combination with an algorithm evaluating light refraction at the liquid-liquid interface. The influence of the liquid viscosities on the critical voltage corresponding to the onset of instability and on the dominant wavelength is studied. Overall, good agreement with theoretical predictions that are based on viscous fluids in an infinite domain is demonstrated. Depending on the relative influence of the domain boundary, the patterns exhibit either discrete modes corresponding to surface harmonics or boundary-independent patterns. The agreement between experiments and theory confirms that the electrostatically forced Faraday instability is sufficiently well understood, which may pave the way to control electrostatically driven instabilities. Last but not least, the analogies to classical Faraday instabilities may enable new approaches to study effects that have so far only been observed for mechanical forcing.
description: 28 pages, 10 figures