Cutoff Scheme Research Articles

Gluon quasidistribution function at one loop

We study the unpolarized gluon quasidistribution function in the nucleon at one loop level in the large momentum effective theory. For the quark quasidistribution, power law ultraviolet divergences arise in the cut-off scheme and an important observation is that they all are subjected to Wilson lines. However for the gluon quasidistribution function, we first point out that the linear ultraviolet divergences also exist in the real diagram which is not connected to any Wilson line. We then study the one loop corrections to parton distribution functions in both cut-off scheme and dimensional regularization to deal with the ultraviolet divergences. In addition to the ordinary quark and gluon distributions, we also include the quark to gluon and gluon to quark splitting diagrams. The complete one-loop matching factors between the quasi and light cone parton distribution functions are presented in the cut-off scheme. We derive the P^z evolution equation for quasi parton distribution functions, and find that the P^z evolution kernels are identical to the DGLAP evolution kernels.

Piercing of domain walls: new mechanism of gravitational radiation

Domain wall (DW) moving in media undergoes the friction force due to particle scattering. However certain particles are not scattered, but perforate the wall. As a result, the wall gets excited in the form of the branon wave, while the particle experiences an acceleration jump. This gives rise to generation of gravitational waves which we call “piercing gravitational radiation” (PGR). Though this effect is of higher order in the gravitational constant than the quadrupole radiation from the collapsing DWs, its amplitude is enhanced in the case of relativistic particles or photons because of absence of the velocity factor which is present in the quadrupole formula. We derive the spectral-angular distribution of PGR within the simplified model of the weakly gravitating particle-wall system in Minkowski space-time of arbitrary dimensions. Within this model the radiation amplitude is obtained analytically. The spectral-angular distribution of PGR in such an approach suffers from infrared and ultraviolet divergences as well as from collinear divergence in the case of a massless perforating particle. Different cut-off schemes appropriate in various dimensions are discussed. Our results are applicable both to cosmological DWs and to the braneworld models. PGR can be relevant in the infrared part of the spectrum of the relic gravitons where radiation from the collapsed DWs is damped.

On the iterative solution of the gap equation in the Nambu-Jona-Lasinio model

In this work we revise the standard iterative procedure to find the solution of the gap equation in the Nambu-Jona-Lasinio model within the most popular regularization schemes available in literature in the super-strong coupling regime. We observe that whereas for the hard cut-off regularization schemes, the procedure smoothly converges to the physically relevant solution, Pauli-Villars and Proper-Time regularization schemes become chaotic in the sense of discrete dynamical systems. We call for the need of an appropriate interpretation of the non-convergence of this procedure to the solution of the gap equation.

Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs.

Papers I and II in this series [R. M. Richard et al., J. Chem. Phys. 141, 014108 (2014); K. U. Lao et al., ibid. 144, 164105 (2016)] have attempted to shed light on precision and accuracy issues affecting the many-body expansion (MBE), which only manifest in larger systems and thus have received scant attention in the literature. Many-body counterpoise (CP) corrections are shown to accelerate convergence of the MBE, which otherwise suffers from a mismatch between how basis-set superposition error affects subsystem versus supersystem calculations. In water clusters ranging in size up to (H2O)37, four-body terms prove necessary to achieve accurate results for both total interaction energies and relative isomer energies, but the sheer number of tetramers makes the use of cutoff schemes essential. To predict relative energies of (H2O)20 isomers, two approximations based on a lower level of theory are introduced and an ONIOM-type procedure is found to be very well converged with respect to the appropriate MBE benchmark, namely, a CP-corrected supersystem calculation at the same level of theory. Results using an energy-based cutoff scheme suggest that if reasonable approximations to the subsystem energies are available (based on classical multipoles, say), then the number of requisite subsystem calculations can be reduced even more dramatically than when distance-based thresholds are employed. The end result is several accurate four-body methods that do not require charge embedding, and which are stable in large basis sets such as aug-cc-pVTZ that have sometimes proven problematic for fragment-based quantum chemistry methods. Even with aggressive thresholding, however, the four-body approach at the self-consistent field level still requires roughly ten times more processors to outmatch the performance of the corresponding supersystem calculation, in test cases involving 1500-1800 basis functions.

Background scale independence in quantum gravity

We study the background scale independence in single-metric approximation to the functional renormalization group equation (FRGE) for quantum gravity and show that it is possible to formulate it without using higher-derivative gauge fixing in arbitrary dimensions if we adopt the Landau gauge and suitable cutoff scheme. We discuss this problem for both the linear and exponential splits of the metric into background and fluctuations. The obtained modified Ward identity for the global rescalings of the background metric can be combined with the FRGE to give a manifestly scale-invariant solution. An explicit example of the FRGE is given for four-dimensional $f(R)$ gravity in this framework.

이웃 참조 위치가 없는 경우를 개선한 실내 위치 추정 사전 컷-오프 방식

In learning stage of the preliminary Cut-off indoor positioning scheme, RSSI and UUID data received from beacons at each reference point(RP) are stored in fingerprint map. The fingerprint map and real-time beacon information are compared to identify the nearest K reference points through which the user position is estimated. If the number of K is zero, this scheme cannot estimate user position. We have improved the preliminary Cut-off scheme to get the estimated user position even in the case. The improved scheme excludes the beacon of the weakest signal received by user mobile device and identifies neighborhood reference points using the other beacon information. This procedure are performed repetitively until K > 0. The simulation results confirm that the proposed scheme outperforms K-Nearest-Neighbor (KNN), Cluster KNN and the conventional Cut-off scheme in terms of accuracy while the constraints are guaranteed to be satisfied.

Cut-Off Points for Mild, Moderate, and Severe Pain on the Numeric Rating Scale for Pain in Patients with Chronic Musculoskeletal Pain: Variability and Influence of Sex and Catastrophizing.

Objectives: The 0–10 Numeric Rating Scale (NRS) is often used in pain management. The aims of our study were to determine the cut-off points for mild, moderate, and severe pain in terms of pain-related interference with functioning in patients with chronic musculoskeletal pain, to measure the variability of the optimal cut-off points, and to determine the influence of patients’ catastrophizing and their sex on these cut-off points.Methods: 2854 patients were included. Pain was assessed by the NRS, functioning by the Pain Disability Index (PDI) and catastrophizing by the Pain Catastrophizing Scale (PCS). Cut-off point schemes were tested using ANOVAs with and without using the PSC scores or sex as co-variates and with the interaction between CP scheme and PCS score and sex, respectively. The variability of the optimal cut-off point schemes was quantified using bootstrapping procedure.Results and conclusion: The study showed that NRS scores ≤ 5 correspond to mild, scores of 6–7 to moderate and scores ≥8 to severe pain in terms of pain-related interference with functioning. Bootstrapping analysis identified this optimal NRS cut-off point scheme in 90% of the bootstrapping samples. The interpretation of the NRS is independent of sex, but seems to depend on catastrophizing. In patients with high catastrophizing tendency, the optimal cut-off point scheme equals that for the total study sample, but in patients with a low catastrophizing tendency, NRS scores ≤ 3 correspond to mild, scores of 4–6 to moderate and scores ≥7 to severe pain in terms of interference with functioning. In these optimal cut-off schemes, NRS scores of 4 and 5 correspond to moderate interference with functioning for patients with low catastrophizing tendency and to mild interference for patients with high catastrophizing tendency. Theoretically one would therefore expect that among the patients with NRS scores 4 and 5 there would be a higher average PDI score for those with low catastrophizing than for those with high catastrophizing. However, we found the opposite. The fact that we did not find the same optimal CP scheme in the subgroups with lower and higher catastrophizing tendency may be due to chance variability.

Multilogarithmic velocity renormalization in graphene

We reexamine the effect of long-range Coulomb interactions on the quasiparticle velocity in graphene. Using a nonperturbative functional renormalization group approach with partial bosonization in the forward scattering channel and momentum transfer cutoff scheme, we calculate the quasiparticle velocity, $v (k)$, and the quasiparticle residue, $Z$, with frequency-dependent polarization. One of our most striking results is that $v ( k ) \propto \ln [ C_k (\alpha) / k ]$ where the momentum- and interaction-dependent cutoff scale $C_k (\alpha) $ vanishes logarithmically for $k \rightarrow 0$. Here $k$ is measured with respect to one of the charge neutrality (Dirac) points and $\alpha=2.2$ is the strength of dimensionless bare interaction. Moreover, we also demonstrate that the so-obtained multilogarithmic singularity is reconcilable with the perturbative expansion of $v (k)$ in powers of the bare interaction.

CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid mono- and bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match lipid properties of six bilayers with varying acyl chain saturation and head groups. MD simulations of 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayers were used to obtain optimal protocols for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer membrane properties, such as surface area per lipid, chain order parameters, and area compressibility modulus, obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to due to its use of the hard-truncation of the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. We expect this protocol to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.

Different PD-MCI criteria and risk of dementia in Parkinson's disease: 4-year longitudinal study.

The Movement Disorder Society Task Force (MDS-TF) has proposed diagnostic criteria for mild cognitive impairment in Parkinson’s disease (PD-MCI). We hypothesized that the risk of dementia (PDD) varies across the different cutoff schemes allowed. A longitudinal study followed 121 non-demented PD patients for up to 4.5 years. In Part One, unique groups of patients were identified as PD-MCI at baseline using the MDS-TF requirement of two impaired cognitive test scores, with both scores classified as impaired at either (i) 2 s.d., (ii) 1.5 s.d. or (iii) 1 s.d. below normative data; relative risk (RR) of PDD was assessed at each criterion. In Part Two, the whole sample was reassessed and (i) RR of PDD determined when two impairments at 1.5 s.d. existed within a single cognitive domain, followed by (ii) RR of PDD in the unique group whose two impairments at 1.5 s.d. did not exist within a single domain (i.e., only across two domains). Twenty-one percent of patients converted to PDD. Part One showed that the 1.5 s.d. criterion at baseline is optimal to maximize progression to PDD over 4 years. Part Two, however, showed that the 1.5 s.d. cutoff produced a high RR of PDD only when two impairments were identified within a single cognitive domain (7.2, 95% confidence interval (CI)=3.4–16.6, P<0.0001; 51% converted). The RR when the 1.5 s.d. impairments occurred only across two different domains, was nonsignificant (1.7, CI=0.5–7.4, P=0.13; 11% converted) and similar to using a 1 s.d. criterion (1.9, CI=0.3–4.3, P=0.13; 8% converted). If the intent of a PD-MCI diagnosis is to detect increased risk of PDD in the next 4 years, optimal criteria should identify at least two impairments at 1.5 s.d. within a single cognitive domain.

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.

Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chain saturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.

Gaussian-based cutoff scheme on Hartree–Fock exchange term of dielectric-dependent potential

A Gaussian-based cutoff scheme in the dielectric-dependent Hartree–Fock (HF) exchange potential under periodic boundary conditions is discussed. The scheme is applied to HF and hybrid density functional theory methods. For comparison, we examine short-range potentials based on the complementary error function. To investigate the behaviors of these short-range exchange potentials, we study several polymers, such as polyethylene and polytetrafluoroethylene.

The liquid-vapor equilibria of TIP4P/2005 and BLYPSP-4F water models determined through direct simulations of the liquid-vapor interface

In this paper, the surface tension and critical properties for the TIP4P/2005 and BLYPSP-4F models are reported. A clear dependence of surface tension on the van der Waals cutoff radius (rvdw) is shown when van der Waals interactions are modeled with a simple cutoff scheme. A linear extrapolation formula is proposed that can be used to determine the infinite rvdw surface tension through a few simulations with finite rvdw. A procedure for determining liquid and vapor densities is proposed that does not require fitting to a profile function. Although the critical temperature of water is also found to depend on the choice of rvdw, the dependence is weaker. We argue that a rvdw of 1.75 nm is a good compromise for water simulations when long-range van der Waals correction is not applied. Since the majority of computational programs do not support rigorous treatment of long-range dispersion, the establishment of a minimal acceptable rvdw is important for the simulation of a variety of inhomogeneous systems, such as water bubbles, and water in confined environments. The BLYPSP-4F model predicts room temperature surface tension marginally better than TIP4P/2005 but overestimates the critical temperature. This is expected since only liquid configurations were fit during the development of the BLYPSP-4F potential. The potential is expected to underestimate the stability of vapor and thus overestimate the region of stability for the liquid.

Thermal and structural properties of ionic fluids.

The electrostatic interaction in ionic fluids is well known to give rise to a characteristic phase behavior and structure. Sometimes its long range is proposed to single out the electrostatic potential over other interactions with shorter ranges. Here the importance of the range for the phase behavior and the structure of ionic fluids is investigated by means of grandcanonical Monte Carlo simulations of the lattice restricted primitive model (LRPM). The long-ranged electrostatic interaction is compared to various types of short-ranged potentials obtained by sharp and/or smooth cutoff schemes. Sharply cutoff electrostatic potentials are found to lead to a strong dependence of the phase behavior and the structure on the cutoff radius. However, when combined with a suitable additional smooth cutoff, the short-ranged LRPM is found to exhibit quantitatively the same phase behavior and structure as the conventional long-ranged LRPM. Moreover, the Stillinger-Lovett perfect screening property, which is well known to be generated by the long-ranged electrostatic potential, is also fulfilled by short-ranged LRPMs with smooth cutoffs. By showing that the characteristic phase behavior and structure of ionic fluids can also be found in systems with short-ranged potentials, one can conclude that the decisive property of the electrostatic potential in ionic fluids is not the long range but rather the valency dependence.

Cut-off points for mild, moderate, and severe pain on the visual analogue scale for pain in patients with chronic musculoskeletal pain

The aim of this study was to find the cut-off points on the visual analogue scale (VAS) to distinguish among mild, moderate, and severe pain, in relation to the following: pain-related interference with functioning; verbal description of the VAS scores; and latent class analysis for patients with chronic musculoskeletal pain. A total of 456 patients were included. Pain was assessed using the VAS and verbal rating scale; functioning was assessed using the domains of the Short Form (36) Health Survey (SF-36). Eight cut-off point schemes were tested using multivariate analysis of variance (MANOVA), ordinal logistic regression, and latent class analysis. The study results showed that VAS scores ⩽3.4 corresponded to mild interference with functioning, whereas 3.5 to 6.4 implied moderate interference, and ⩾6.5 implied severe interference. VAS scores ⩽3.4 were best described for patients with chronic musculoskeletal pain as mild pain, 3.5 to 7.4 as moderate pain, and ⩾7.5 as severe pain. Latent class analysis found that a 3-class solution fitted best, resulting in the classes 0.1 to 3.8, 3.9 to 5.7, and 5.8 to 10cm. Findings from our study agree with those of some other studies, although many other studies found different optimal cut-off point schemes. As there appear to be no universally accepted cut-off points, and in view of the low-to-moderate associations between VAS scores and functioning and between VAS and verbal rating scale scores, the correct classification of VAS scores as mild, moderate. or severe in clinical practice seems doubtful.

One-loop matching for parton distributions: Nonsinglet case

We derive one-loop matching condition for non-singlet quark distributions in transverse-momentum cut-off scheme, including unpolarized, helicity and transversity distributions. The matching is between the quasi-distribution defined by static correlation at finite nucleon momentum and the light-cone distribution measurable in experiments. The result is useful for extracting the latter from the former in a lattice QCD calculation.

Structure of compact stars in a pion superfluid phase

The gross structure of compact stars composed of pion superfluid quark matter is investigated in the frame of Nambu-Jona-Lasinio model. Under the Pauli-Villars regularization scheme, the uncertainty of the thermodynamic functions for inhomogeneous states is cured, and the LOFF state appeared in the hard cutoff scheme is removed from the phase diagram of pion superfluid. Different from the unpaired quark matter and color superconductor, the strongly coupled pion superfluid in the state close to the BCS limit is a possible candidate of compact stars with mass $M\simeq 3M_{\odot }$ and radius $R\simeq 14$ km.

A comparison of six sampling schemes for price index construction in a COICOP food group

This article compares the behaviour of sampling techniques for price indices using a scanner data set as a model population. Indices produced by two purposive deterministic cut-off designs and four probabilistic sampling schemes are compared with each other and with the ‘true’ population index from the whole data set. We found that the two deterministic cut-off sampling schemes show much different behaviour from the probabilistic sampling schemes. This is not unexpected, as the former schemes have a very restricted focus with respect to the variety of products. We also found that the probabilistic schemes are generally closer to each other and the ‘true’ value than the deterministic cut-off designs. The jackknife resampling technique is also explored as a means of estimating the SE of the index and compared with the actual results from repeated sampling.

Determination of Signaling Pathways in Proteins through Network Theory: Importance of the Topology.

Network theory methods are being increasingly applied to proteins to investigate complex biological phenomena. Residues that are important for signaling processes can be identified by their condition as critical nodes in a protein structure network. This analysis involves modeling the protein as a graph in which each residue is represented as a node and edges are drawn between nodes that are deemed connected. In this paper, we show that the results obtained from this type of network analysis (i.e., signaling pathways, key residues for signal transmission, etc.) are profoundly affected by the topology of the network, with normally used determination of network edges by geometrical cutoff schemes giving rise to substantial statistical errors. We propose a method of determining protein structure networks by calculating inter-residue interaction energies and show that it gives an accurate and reliable description of the signal-propagation properties of a known allosteric enzyme. We also show that including covalent interactions in the network topology is essential for accurate results to be obtained.

절사표본 설계에서 비용함수를 고려한 복합추정량

Cut-off sampling has been widely used for a highly skewed population like a business survey by discarding a part of the population, so called a take-nothing stratum. For a more accurate estimate of the population total, Hwang and Shin (2013) suggested a composite estimator of a take-nothing stratum total that combined the survey results of a take-nothing stratum and a take-some sub-stratum (a part of take-some stratum). In this paper we propose a new cut-off sampling scheme by considering a cost function and a composite estimator based on the proposed sampling scheme. Small simulation studies compared the performances of known composite estimators and the new composite estimator suggested in this study. We also use Briquette Consumption Survey data for real data analysis.