ShantanuT01/DACTYL-Pretraining huggingface dataset:
Metal organic framework (MOF) materials have attracted a lot of attention due to their numerous applications in fields such as hydrogen storage, carbon capture, and gas sequestration. In all these applications, van der Waals forces dominate the interaction between the small guest molecules and the walls of the MOFs. In this review article, we describe how a combined theoretical and experimental approach can successfully be used to study those weak interactions and elucidate the adsorption mechanisms important for various applications. On the theory side, we show that, while standard density functional theory is not capable of correctly describing van der Waals interactions, functionals especially designed to include van der Waals forces exist, yielding results in remarkable agreement with experiment. From the experimental point of view, we show examples in which IR adsorption and Raman spectroscopy are essential to study molecule/MOF interactions. Importantly, we emphasize throughout this review that a combination of theory and experiment is crucial to effectively gain further understanding. In particular, we review such combined studies for the adsorption mechanism of small molecules in MOFs, the chemical stability of MOFs under humid conditions, water cluster formation inside MOFs, and the diffusion of small molecules into MOFs. The understanding of these phenomena is critical for the rational design of new MOFs with desired properties.
We calculate the leading twist contribution to near-forward proton-proton (and proton-antiproton) elastic scattering with large momentum transfer, in the multiple scattering (Landshoff) mechanism. The amplitude in the near-forward region is dominated by singlet exchange for all three valence quark-quark scatterings. We assume the existence of a hard singlet quark-quark amplitude, which we estimate to be ${\cal O}(\alpha_s^2/t)$. For a three-quark state whose transverse size is less than $1/\Lambda_{\rm QCD}$, Sudakov resummation accounts for both approximate $\d \sigma^{pp}/ \d t \sim t^{-8}$ at moderate $t$, and $\d \sigma^{pp}/ \d t \sim t^{-10}$ at larger $t$. The transition from approximate $t^{-8}$ to $t^{-10}$ behavior is strongly correlated with the transverse size of the valence three-quark state in the proton.
Consider routing traffic on the N x N torus, simultaneously between all source-destination pairs, to minimize the cost $\sum_ec(e)f^2(e)$, where f(e) is the volume of flow across edge e and the c(e) form an i.i.d. random environment. We prove existence of a rescaled $N\to \infty$ limit constant for minimum cost, by comparison with an appropriate analogous problem about minimum-cost flows across a M x M subsquare of the lattice.
Fourier states are multi-qubit registers that facilitate phase rotations in fault-tolerant quantum computing. We propose distillation protocols for constructing the fundamental, $n$-qubit Fourier state with error $O(2^{-n})$ at a cost of $O(n \log n)$ Toffoli gates and Clifford gates, or any arbitrary Fourier state using $O(n^2)$ gates. We analyze these protocols with methods from digital signal processing. These results suggest that phase kickback, which uses Fourier states, could be the current lowest-overhead method for generating arbitrary phase rotations.
Current benchmarks for facial expression recognition (FER) mainly focus on static images, while there are limited datasets for FER in videos. It is still ambiguous to evaluate whether performances of existing methods remain satisfactory in real-world application-oriented scenes. For example, the "Happy" expression with high intensity in Talk-Show is more discriminating than the same expression with low intensity in Official-Event. To fill this gap, we build a large-scale multi-scene dataset, coined as FERV39k. We analyze the important ingredients of constructing such a novel dataset in three aspects: (1) multi-scene hierarchy and expression class, (2) generation of candidate video clips, (3) trusted manual labelling process. Based on these guidelines, we select 4 scenarios subdivided into 22 scenes, annotate 86k samples automatically obtained from 4k videos based on the well-designed workflow, and finally build 38,935 video clips labeled with 7 classic expressions. Experiment benchmarks on four kinds of baseline frameworks were also provided and further analysis on their performance across different scenes and some challenges for future research were given. Besides, we systematically investigate key components of DFER by ablation studies. The baseline framework and our project will be available.
We use high-resolution N-body simulations to develop a new, flexible, empirical approach for measuring the growth rate from redshift-space distortions (RSD) in the 2-point galaxy correlation function. We quantify the systematic error in measuring the growth rate in a $1 \, h^{-3}$ Gpc$^3$ volume over a range of redshifts, from the dark matter particle distribution and a range of halo-mass catalogues with a number density comparable to the latest large-volume galaxy surveys such as the WiggleZ Dark Energy Survey and the Baryon Oscillation Spectroscopic Survey (BOSS). Our simulations allow us to span halo masses with bias factors ranging from unity (probed by emission-line galaxies) to more massive haloes hosting Luminous Red Galaxies. We show that the measured growth rate is sensitive to the model adopted for the small-scale real-space correlation function, and in particular that the "standard" assumption of a power-law correlation function can result in a significant systematic error in the growth rate determination. We introduce a new, empirical fitting function that produces results with a lower (5-10%) amplitude of systematic error. We also introduce a new technique which permits the galaxy pairwise velocity distribution, the quantity which drives the non-linear growth of structure, to be measured as a non-parametric stepwise function. Our (model-independent) results agree well with an exponential pairwise velocity distribution, expected from theoretical considerations, and are consistent with direct measurements of halo velocity differences from the parent catalogues. In a companion paper we present the application of our new methodology to the WiggleZ Survey dataset.
We discuss major differences between electric and magnetic excitations in nuclei appearing in self-consistent calculation based on Skyrme energy-density functionals. Tools of analysis are Landau-Migdal parameters for bulk properties and RPA for resonance modes of $^{208}$Pb as representative of finite nuclei. We show that the relation between the effective mass and the effective particle-hole interaction, well known in the Landau-Migdal theory, explains the success of self-consistent calculations of electric transitions in such approaches. This effect, however, does not automatically exist in the magnetic case. This calls for further developments of the Skyrme functional in the spin channel.
We have been doing a photometric and astrometric sample survey programme on Schmidt plates in a few selected directions in the Galaxy with an aim to study galactic stellar populations. In order to calibrate Schmidt plates photometrically, it is necessary to have a number of photometric standards which cover the entire range of magnitudes to be studied on the plates. As Schmidt plates cover a wide area of the sky, the standards should also be spread over the surface of the plate so as to minimise geometrical effects present on the plate. This paper is first in a series of papers aimed at to provide photometric standards in the selected galactic directions to be studied. In this paper we present photometric magnitudes obtained through CCD observation in the galactic direction (l=170deg, b=45deg) centered at alpha(2000) = 9h 41m 20s and delta(2000) = +49deg 54' 20'' and covering an area of 14 sq degs. B and V magnitudes have been obtained for a total of 214 stars out of which for 73 stars U magnitudes also have been obtained. The magnitude range covered is 11<V<21 and 0.18<B-V<1.85.
We present an algorithm for the derivation of Dyson-Schwinger equations of general theories that is suitable for an implementation within a symbolic programming language. Moreover, we introduce the Mathematica package DoDSE which provides such an implementation. It derives the Dyson-Schwinger equations graphically once the interactions of the theory are specified. A few examples for the application of both the algorithm and the DoDSE package are provided. The package can be obtained from physik.uni-graz.at/~mah/DoDSE.html.
The fate of heavy quarkonia states has been investigated in QCD at high temperature when the plasma has a small momentum space anisotropy within a quasi-particle model. A real time static potential has been obtained from a Hard thermal loop expression for the gluon self-energy, by employing the quasi-parton equilibrium distribution functions extracted from hot QCD equations of state of $O(g^5)$ and $O(g^6\ln(1/g))$. Employing the potential, quarkonia melting has been studied. It is found that the equations of state and the momentum anisotropy cause significant modifications in the screening properties of the plasma.
Phonon energies at finite temperatures shift away from their harmonic values due to anharmonicity. In this paper, we have realized the rigorous calculation of phonon energy shifts of silicon by three and four-phonon scattering from first principles. The anharmonic fourth-order force constants are calculated by considering up to the fifth nearest neighbors. The results agree reasonably well with available data from inelastic neutron scattering throughout the Brillouin zone. Surprisingly, the frequency shifts of optical phonon modes near the $\Gamma$ point are sensitive to the cutoff radius of the fourth-order force constants, in contrast to the four-phonon scattering rates, which nearly saturate when considering the second nearest neighbors. We have also compared the results with ab initio molecular dynamics simulations and found that the higher order of anharmonicity is important for optical phonons. Our work provides critical insight into the anharmonic phonon frequency shift and will have significant impact on the thermal and optical applications.
In this review we have considered the possibility to describe the astrophysical S-factors of radiative capture reactions with light atomic nuclei on the basis of the potential two-cluster model by taking into account the splitting the orbital states according to Young's schemes. Within this model, interaction of the nucleon clusters is described by local two-particle potential determined by fit to the scattering data and properties of bound states of these clusters. Many-body character of the problem is taken into account under some approximation, in terms of the allowed or forbidden by the Pauli principle states in intercluster potentials. An important feature of the approach is accounting for a dependence of interaction potential between clusters on the orbital Young scheme, which determines the permutation symmetry of the nucleon system. The astrophysical S-factors of the radiative capture processes in the p2H, p7Li and p12C systems are analyzed on the basis of this approach. It is shown that the approach allows one to describe quite reasonably experimental data available at low energies, when the phase shifts of cluster-cluster scattering are extracted from the data with minimal errors. In this connection the problem of experimental error decrease is exclusively urgent for the differential cross-sections of elastic scattering of light atomic nuclei at astrophysical energies and to perform a more accurate phase shift analysis. The increase in the accuracy will allow, in future, making more definite conclusions regarding the mechanisms and conditions of thermonuclear reactions, as well as understanding better their nature in general.
We discuss theoretical formalisms concerning with experimental verification of General Relativity (GR). Non-metric generalizations of GR are considered and a system of postulates is formulated for metric-affine and Finsler gravitational theories. We consider local observer reference frames to be a proper tool for comparing predictions of alternative theories with each other and with the observational data. Integral formula for geodesic deviation due to the deformation of connection is obtained. This formula can be applied for calculations of such effects as the bending of light and time-delay in presence of non-metrical effects.
We use the Cremmer-Julia E_7(7) non-linear symmetry of N=8 Supergravity to derive its order $\kappa^2$ on-shell Hamiltonian in terms of one chiral light-cone superfield. By requiring that E_7(7) commute with the super-Poincare group, we deduce to lowest non-trivial order in $\kappa$, the light cone E_7(7) transformations of all fields of the theory, including the graviton. We then derive the dynamical supersymmetry transformation to order $\kappa^2$, and express the Hamiltonian as a quadratic form in the chiral superfield.
As a subproduct of the Schoof-Elkies-Atkin algorithm to count points on elliptic curves defined over finite fields of characteristic p, there exists an algorithm that computes, for l an Elkies prime, l-torsion points in an extension of degree l-1 at cost O(l max(l, \log q)^2) bit operations in the favorable case where l < p/2.   We combine in this work a fast algorithm for computing isogenies due to Bostan, Morain, Salvy and Schost with the p-adic approach followed by Joux and Lercier to get for the first time an algorithm valid without any limitation on l and p but of similar complexity.
We review the general gauged N=2 supergravity coupled to an arbitrary number of vector multiplets and hypermultiplets. We consider two different models where N=2 supersymmetry is broken to N=1 spontaneously, one has a U(1) vector multiplet and the other has a U(N) vector multiplet. In both cases, partial breaking of N=2 supersymmetry is accomplished by the Higgs and the super-Higgs mechanisms. The mass spectrum can be evaluated and we conclude that the resulting models have N=1 supersymmetry. This is based on master thesis submitted to Graduate School of Science, Osaka City University, in March 2006.
The effective action for type II string theory compactified on a six torus is $N=8$ supergravity, which is known to have an $E_{7}$ duality symmetry. We show that this is broken by quantum effects to a discrete subgroup, $E_7(\Z)$, which contains both the T-duality group $SO(6,6;\Z)$ and the S-duality group $SL(2;\Z)$. We present evidence for the conjecture that $E_7(\Z)$ is an exact \lq U-duality' symmetry of type II string theory. This conjecture requires certain extreme black hole states to be identified with massive modes of the fundamental string. The gauge bosons from the Ramond-Ramond sector couple not to string excitations but to solitons. We discuss similar issues in the context of toroidal string compactifications to other dimensions, compactifications of the type II string on $K_3\times T^2$ and compactifications of eleven-dimensional supermembrane theory.
Inevitably, assessing the overall performance of a quantum computer must rely on characterizing some of its elementary constituents and, from this information, formulate a broader statement concerning more complex constructions thereof. However, given the vastitude of possible quantum errors as well as their coherent nature, accurately inferring the quality of composite operations is generally difficult. To navigate through this jumble, we introduce a non-physical simplification of quantum maps that we refer to as the leading Kraus (LK) approximation. The uncluttered parameterization of LK approximated maps naturally suggests the introduction of a unitary-decoherent polar factorization for quantum channels in any dimension. We then leverage this structural dichotomy to bound the evolution -- as circuits grow in depth -- of two of the most experimentally relevant figures of merit, namely the average process fidelity and the unitarity. We demonstrate that the leeway in the behavior of the process fidelity is essentially taken into account by physical unitary operations.
In this comment, we discuss the mathematical formalism used in Boumali et al. (2020) which describes the superstatistical thermal properties of a one-dimensional Dirac oscillator. In particular, we point out the importance of maintaining the Legendre structure unaltered to ensure an accurate description of the thermodynamic observables when a Tsallis-like statistical description is assumed. Also, we remark that all the negative poles have to take into account to calculate the Gibbs--Boltzmann partition function. Our findings show that the divergences obtained by the authors in the Helmholtz free energy, which are propagated to the other thermal properties, are a consequence of an incomplete partition function. Moreover, we prove that the restrictions over the $q$-parameter are no needed if an appropriate partition function describes the system.
Recovering 3D full-body human pose is a challenging problem with many applications. It has been successfully addressed by motion capture systems with body worn markers and multiple cameras. In this paper, we address the more challenging case of not only using a single camera but also not leveraging markers: going directly from 2D appearance to 3D geometry. Deep learning approaches have shown remarkable abilities to discriminatively learn 2D appearance features. The missing piece is how to integrate 2D, 3D and temporal information to recover 3D geometry and account for the uncertainties arising from the discriminative model. We introduce a novel approach that treats 2D joint locations as latent variables whose uncertainty distributions are given by a deep fully convolutional neural network. The unknown 3D poses are modeled by a sparse representation and the 3D parameter estimates are realized via an Expectation-Maximization algorithm, where it is shown that the 2D joint location uncertainties can be conveniently marginalized out during inference. Extensive evaluation on benchmark datasets shows that the proposed approach achieves greater accuracy over state-of-the-art baselines. Notably, the proposed approach does not require synchronized 2D-3D data for training and is applicable to "in-the-wild" images, which is demonstrated with the MPII dataset.
It is shown that ponderomotive force can be used to purify entangled states. The protocol is based on the possibility to exploit such force for a local quantum nondemolition measurement of the total excitation number of continuos variable entangled pairs.
We present an efficient subpixel refinement method usinga learning-based approach called Linear Predictors. Two key ideas are shown in this paper. Firstly, we present a novel technique, called Symbolic Linear Predictors, which makes the learning step efficient for subpixel refinement. This makes our approach feasible for online applications without compromising accuracy, while taking advantage of the run-time efficiency of learning based approaches. Secondly, we show how Linear Predictors can be used to predict the expected alignment error, allowing us to use only the best keypoints in resource constrained applications. We show the efficiency and accuracy of our method through extensive experiments.
We study the matter density perturbations in modified teleparallel gravity theories, where extra degrees of freedom arise from the local Lorentz violation in the tangent space. We formulate a vierbein perturbation with variables addressing all the 16 components of the vierbein field. By assuming the perfect fluid matter source, we examine the cosmological implication of the 6 unfamiliar new degrees of freedom in modified $f(T)$ gravity theories. We find that despite the new modes in the vierbein scenario provide no explicit significant effect in the small-scale regime, they exhibit some deviation from the standard general relativity results in super-horizon scales.
Observations of high energy gamma rays recently revealed a persistent source in spatial coincidence with the binary system Eta Carinae. Since modulation of the observed gamma-ray flux on orbital time scales has not been reported so far, an unambiguous identification was hitherto not possible. Particularly the observations made by the Fermi Large Area Telescope (LAT) posed additional questions regarding the actual emission scenario owing to the existence of two energetically distinct components in the gamma-ray spectrum of this source, best described by an exponentially cutoff power-law function (CPL) at energies below 10 GeV and a power-law (PL) component dominant at higher energies. The increased exposure in conjunction with the improved instrumental response functions of the LAT now allow us to perform a more detailed investigation of location, spectral shape, and flux time history of the observed gamma-ray emission.   For the first time, we are able to report a weak but regular flux decrease over time. This can be understood and interpreted in a colliding-wind binary scenario for orbital modulation of the gamma-ray emission. We find the spectral shape of the gamma-ray signal in agreement with a single emitting particle population in combination with significant absorption by gamma-gamma pair production.   Studying the correlation of the flux decrease with the orbital separation of the binary components allows us to predict the behaviour up to the next periastron passage in 2014.
Studies of heavy ion collisions have discovered that tiny fireballs of new phase of matter -- quark gluon plasma (QGP) -- undergoes explosion, called the Little Bang. In spite of its small size, it is not only well described by hydrodynamics, but even small perturbations on top of the explosion turned to be well described by hydrodynamical sound modes. The cosmological Big Bang also went through phase transitions, the QCD and electroweak ones, which are expected to produce sounds as well. We discuss their subsequent evolution and hypothetical inverse acoustic cascade, amplifying the amplitude. Ultimately, collision of two sound waves leads to formation of gravity waves, with the smallest wavelength. We briefly discuss how those can be detected.
Let F be a Hecke-Maass cusp form for the group SL(4, Z) with Laplace eigenvalue lambda. Assume that F satisfies the Ramanujan conjecture at infinity (this is satisfied by almost all cusp forms). We show a power-saving sup-norm bound in terms of lambda (relative to the generic bound) for F restricted to a compact set.
We study the electronic and phononic excitations of heavy-fermion metal CeCoIn$_5$ by polarization-resolved Raman spectroscopy to explore the Kondo-lattice coherence. Below the coherence temperature T*\,=\,45\,K, the continuum of electronic excitations in the XY scattering geometry is suppressed at frequencies below 50\,cm$^{-1}$, whereas the low-frequency continuum in the X'Y' geometry exhibits no change across T*. We relate the suppression to the reduced electron-electron scattering rate resulting from the coherence effect. The presence of suppression in the XY geometry and absence of it in the X'Y' geometry implies that the $\alpha$ and $\beta$ bands become coherent below T*, whereas the $\gamma$ band remains largely incoherent down to 10\,K. Moreover, two optical phonon modes exhibit anomalies in their temperature dependence of the frequency and linewidth below T*, which results from developing coherent spectral weight near the Fermi level and reduced electron-phonon scattering rate. Our results further support the key role of anisotropic hybridization in CeCoIn$_5$.