Monte Carlo Methods for Rough Free Energy Landscapes: Population Annealing and Parallel Tempering

Parallel tempering and population annealing are both effective methods for simulating equilibrium systems with rough free energy landscapes. Parallel tempering, also known as replica exchange Monte Carlo, is a Markov chain Monte Carlo method while population annealing is a sequential Monte Carlo method. Both methods overcome the exponential slowing associated with high free energy barriers. The convergence properties and efficiency of the two methods are compared. For large systems, population annealing initially converges to equilibrium more rapidly than parallel tempering for the same amount of computational work. However, parallel tempering converges exponentially and population annealing inversely in the computational work so that ultimately parallel tempering approaches equilibrium more rapidly than population annealing.Comment: 10 pages, 3 figure

Effective swimming strategies in low Reynolds number flows

The optimal strategy for a microscopic swimmer to migrate across a linear shear flow is discussed. The two cases, in which the swimmer is located at large distance, and in the proximity of a solid wall, are taken into account. It is shown that migration can be achieved by means of a combination of sailing through the flow and swimming, where the swimming strokes are induced by the external flow without need of internal energy sources or external drives. The structural dynamics required for the swimmer to move in the desired direction is discussed and two simple models, based respectively on the presence of an elastic structure, and on an orientation dependent friction, to control the deformations induced by the external flow, are analyzed. In all cases, the deformation sequence is a generalization of the tank-treading motion regimes observed in vesicles in shear flows. Analytic expressions for the migration velocity as a function of the deformation pattern and amplitude are provided. The effects of thermal fluctuations on propulsion have been discussed and the possibility that noise be exploited to overcome the limitations imposed on the microswimmer by the scallop theorem have been discussed.Comment: 14 pages, 5 figure

Hydrodynamic Synchronisation of Model Microswimmers

We define a model microswimmer with a variable cycle time, thus allowing the possibility of phase locking driven by hydrodynamic interactions between swimmers. We find that, for extensile or contractile swimmers, phase locking does occur, with the relative phase of the two swimmers being, in general, close to 0 or pi, depending on their relative position and orientation. We show that, as expected on grounds of symmetry, self T-dual swimmers, which are time-reversal covariant, do not phase-lock. We also discuss the phase behaviour of a line of tethered swimmers, or pumps. These show oscillations in their relative phases reminiscent of the metachronal waves of cilia.Comment: 17 pages, 8 figure

The impact of music festival attendance on young people's psychological and social well being

Although the social, emotional, physical and cognitive benefits of engagement in music are well known, little research has been conducted on the psychological benefits of music in the context of music festivals. This article draws on theoretical constructs from the field of positive psychology to interpret the impact of music festival attendance on participants' psychological and social well-being. Qualitative and quantitative data were collected from a focus group and questionnaire survey with young festival-goers aged 18-29 years. Four facets of the music festival experience were identified that were associated with well-being outcomes. These are explored and discussed with reference both to participants' focus group comments and statistical analysis of questionnaire responses. A conceptual model is presented in order to guide further research in this area, and enable both festival organizers and attendees to take optimal advantage of the potential of music festivals to impact positively on young adults' psychological and social well-being

Critical aspects of three-dimensional anisotropic spin-glass models

We study the $\pm J$ three-dimensional Ising model with a longitudinal anisotropic bond randomness on the simple cubic lattice. The random exchange interaction is applied only in the $z$ direction, whereas in the other two directions, $xy$ - planes, we consider ferromagnetic exchange. By implementing an effective parallel tempering scheme, we outline the phase diagram of the model and compare it to the corresponding isotropic one, as well as to a previously studied anisotropic (transverse) case. We present a detailed finite-size scaling analysis of the ferromagnetic - paramagnetic and spin glass - paramagnetic transition lines, and we also discuss the ferromagnetic - spin glass transition regime. We conclude that the present model shares the same universality classes with the isotropic model, but at the symmetric point has a considerably higher transition temperature from the spin-glass state to the paramagnetic phase. Our data for the ferromagnetic - spin glass transition line are supporting a forward behavior in contrast to the reentrant behavior of the isotropic model.Comment: 10 pages, 9 eps figures, 1 table, corrected symbolis

Population genetic analysis of brazilian peach breeding germplasm.

ABSTRACT Peach has great economic and social importance in Brazil. Diverse sources of germplasm were used to introduce desirable traits in the Brazilian peach breeding pool, composed mainly by local selections and accessions selected from populations developed by the national breeding programs, adapted to subtropical climate, with low chill requirement, as well as accessions introduced from several countries. In this research, we used SSR markers, selected by their high level of polymorphism, to access genetic diversity and population structure of a set composed by 204 peach selected genotypes, based on contrasting phenotypes for valuable traits in peach breeding. A total of 80 alleles were obtained, giving an average of eight alleles per locus. In general, the average value of observed heterozygosity (0.46) was lower than the expected heterozygosity (0.63). STRUCTURE analysis assigned 162 accessions splitted into two subpopulations based mainly on their flesh type: melting (96) and non-melting (66) flesh cultivars. The remaining accessions (42) could not be assigned under the 80% membership coefficient criteria. Genetic variability was greater in melting subpopulation compared to non-melting. Additionally, 55% of the alleles present in the breeding varieties were also present in the founder varieties, indicating that founding clones are well represented in current peach cultivars and advanced selections developed. Overall, this study gives a first insight of the peach genetic variability available and evidence for population differentiation (structure) in this peach panel to be exploited and provides the basis for genome-wide association studies

A circle swimmer at low Reynolds number

Swimming in circles occurs in a variety of situations at low Reynolds number. Here we propose a simple model for a swimmer that undergoes circular motion, generalising the model of a linear swimmer proposed by Najafi and Golestanian (Phys. Rev. E 69, 062901 (2004)). Our model consists of three solid spheres arranged in a triangular configuration, joined by two links of time-dependent length. For small strokes, we discuss the motion of the swimmer as a function of the separation angle between its links. We find that swimmers describe either clockwise or anticlockwise circular motion depending on the tilting angle in a non-trivial manner. The symmetry of the swimmer leads to a quadrupolar decay of the far flow field. We discuss the potential extensions and experimental realisation of our model.Comment: 9 pages, 9 Figure

Strong-disorder paramagnetic-ferromagnetic fixed point in the square-lattice +- J Ising model

We consider the random-bond +- J Ising model on a square lattice as a function of the temperature T and of the disorder parameter p (p=1 corresponds to the pure Ising model). We investigate the critical behavior along the paramagnetic-ferromagnetic transition line at low temperatures, below the temperature of the multicritical Nishimori point at T*= 0.9527(1), p*=0.89083(3). We present finite-size scaling analyses of Monte Carlo results at two temperature values, T=0.645 and T=0.5. The results show that the paramagnetic-ferromagnetic transition line is reentrant for T<T*, that the transitions are continuous and controlled by a strong-disorder fixed point with critical exponents nu=1.50(4) and eta=0.128(8), and beta = 0.095(5). This fixed point is definitely different from the Ising fixed point controlling the paramagnetic-ferromagnetic transitions for T>T*. Our results for the critical exponents are consistent with the hyperscaling relation 2 beta/nu - eta = d - 2 = 0.Comment: 32 pages, added refs and a discussion on hyperscalin

Reproducibility in the absence of selective reporting : An illustration from large-scale brain asymmetry research

Altres ajuts: Max Planck Society (Germany).The problem of poor reproducibility of scientific findings has received much attention over recent years, in a variety of fields including psychology and neuroscience. The problem has been partly attributed to publication bias and unwanted practices such as p-hacking. Low statistical power in individual studies is also understood to be an important factor. In a recent multisite collaborative study, we mapped brain anatomical left-right asymmetries for regional measures of surface area and cortical thickness, in 99 MRI datasets from around the world, for a total of over 17,000 participants. In the present study, we revisited these hemispheric effects from the perspective of reproducibility. Within each dataset, we considered that an effect had been reproduced when it matched the meta-analytic effect from the 98 other datasets, in terms of effect direction and significance threshold. In this sense, the results within each dataset were viewed as coming from separate studies in an "ideal publishing environment," that is, free from selective reporting and p hacking. We found an average reproducibility rate of 63.2% (SD = 22.9%, min = 22.2%, max = 97.0%). As expected, reproducibility was higher for larger effects and in larger datasets. Reproducibility was not obviously related to the age of participants, scanner field strength, FreeSurfer software version, cortical regional measurement reliability, or regional size. These findings constitute an empirical illustration of reproducibility in the absence of publication bias or p hacking, when assessing realistic biological effects in heterogeneous neuroscience data, and given typically-used sample sizes

Mapping subnational HIV mortality in six Latin American countries with incomplete vital registration systems

BackgroundHuman immunodeficiency virus (HIV) remains a public health priority in Latin America. While the burden of HIV is historically concentrated in urban areas and high-risk groups, subnational estimates that cover multiple countries and years are missing. This paucity is partially due to incomplete vital registration (VR) systems and statistical challenges related to estimating mortality rates in areas with low numbers of HIV deaths. In this analysis, we address this gap and provide novel estimates of the HIV mortality rate and the number of HIV deaths by age group, sex, and municipality in Brazil, Colombia, Costa Rica, Ecuador, Guatemala, and Mexico.MethodsWe performed an ecological study using VR data ranging from 2000 to 2017, dependent on individual country data availability. We modeled HIV mortality using a Bayesian spatially explicit mixed-effects regression model that incorporates prior information on VR completeness. We calibrated our results to the Global Burden of Disease Study 2017.ResultsAll countries displayed over a 40-fold difference in HIV mortality between municipalities with the highest and lowest age-standardized HIV mortality rate in the last year of study for men, and over a 20-fold difference for women. Despite decreases in national HIV mortality in all countries-apart from Ecuador-across the period of study, we found broad variation in relative changes in HIV mortality at the municipality level and increasing relative inequality over time in all countries. In all six countries included in this analysis, 50% or more HIV deaths were concentrated in fewer than 10% of municipalities in the latest year of study. In addition, national age patterns reflected shifts in mortality to older age groups-the median age group among decedents ranged from 30 to 45years of age at the municipality level in Brazil, Colombia, and Mexico in 2017.ConclusionsOur subnational estimates of HIV mortality revealed significant spatial variation and diverging local trends in HIV mortality over time and by age. This analysis provides a framework for incorporating data and uncertainty from incomplete VR systems and can help guide more geographically precise public health intervention to support HIV-related care and reduce HIV-related deaths.Peer reviewe