Two dimensional outflows for cellular automata with shuffle updates

In this paper, we explore the two-dimensional behavior of cellular automata with shuffle updates. As a test case, we consider the evacuation of a square room by pedestrians modeled by a cellular automaton model with a static floor field. Shuffle updates are characterized by a variable associated to each particle and called phase, that can be interpreted as the phase in the step cycle in the frame of pedestrian flows. Here we also introduce a dynamics for these phases, in order to modify the properties of the model. We investigate in particular the crossover between low- and high-density regimes that occurs when the density of pedestrians increases, the dependency of the outflow in the strength of the floor field, and the shape of the queue in front of the exit. Eventually we discuss the relevance of these results for pedestrians.Comment: 20 pages, 5 figures. v2: 16 pages, 5 figures; changed the title, abstract and structure of the paper. v3: minor change

Deciding How to Decide: Dynamic Routing in Artificial Neural Networks

We propose and systematically evaluate three strategies for training dynamically-routed artificial neural networks: graphs of learned transformations through which different input signals may take different paths. Though some approaches have advantages over others, the resulting networks are often qualitatively similar. We find that, in dynamically-routed networks trained to classify images, layers and branches become specialized to process distinct categories of images. Additionally, given a fixed computational budget, dynamically-routed networks tend to perform better than comparable statically-routed networks.Comment: ICML 2017. Code at https://github.com/MasonMcGill/multipath-nn Video abstract at https://youtu.be/NHQsDaycwy

Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion

We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes. The resulting atomic dispersion coefficients are calculated, as well as many-body dispersion effects on intermolecular potential energies. We also estimate contributions from multipole electrostatics and compare them to dispersion. We assess the performance of the resulting intermolecular interaction model from dispersion and electrostatics for more than 1,300 neutral and charged, small organic molecular dimers. Applications to water clusters, the benzene crystal, the anti-cancer drug ellipticine---intercalated between two Watson-Crick DNA base pairs, as well as six macro-molecular host-guest complexes highlight the potential of this method and help to identify points of future improvement. The mean absolute error made by the combination of static electrostatics with many-body dispersion reduces at larger distances, while it plateaus for two-body dispersion, in conflict with the common assumption that the simple $1/R^6$ correction will yield proper dissociative tails. Overall, the method achieves an accuracy well within conventional molecular force fields while exhibiting a simple parametrization protocol.Comment: 13 pages, 8 figure

propnet: A Knowledge Graph for Materials Science

Discovering the ideal material for a new application involves determining its numerous properties, such as electronic, mechanical, or thermodynamic, to match those of its desired application. The rise of high-throughput computation has meant that large databases of material properties are now accessible to scientists. However, these databases contain far more information than might appear at first glance, since many relationships exist in the materials science literature to derive, or at least approximate, additional properties. propnet is a new computational framework designed to help scientists to automatically calculate additional information from their datasets. It does this by constructing a network graph of relationships between different materials properties and traversing this graph. Initially, propnet contains a catalog of over 100 property relationships but the hope is for this to expand significantly in the future, and contributions from the community are welcomed

Activity theory: A framework for analysing intercultural academic activity

This article suggests that Activity Theory (AT) can be applied as a holistic framework to analyse the complex sociocultural issues that arise when academics wish to engage in collaborative activity across institutional and cultural boundaries. Attention will initially focus on how Activity Theory, first formulated in the 1930s by Leont’ev (1978), and subsequently developed into a second generation by Engeström (1987), can help to analyse and illuminate the inherent complexity within any one community of practice. A more elaborate model of AT (Engeström, 2001) is currently being developed and applied to analyse and illuminate collaborative activity across institutional boundaries, so as to transform discourse communities into speech communities of practice through expansive learning. It is suggested that this ‘third generation’ model can be further refined to analyse specific contact zones, within and between activity systems, as a precursor to undertaking collaborative activity. It is suggested that, when discourse communities deriving from different culturally diverse traditions seek to work together, such an a priori analysis would enable potential areas for miscommunication and misconstrual to be identified and possibly resolved before collaborative activity actually commences

The Massive End of the Stellar Mass Function

We derive average flux corrections to the \texttt{Model} magnitudes of the Sloan Digital Sky Survey (SDSS) galaxies by stacking together mosaics of similar galaxies in bins of stellar mass and concentration. Extra flux is detected in the outer low surface brightness part of the galaxies, leading to corrections ranging from 0.05 to 0.32 mag for the highest stellar mass galaxies. We apply these corrections to the MPA-JHU (Max-Planck Institute for Astrophysics - John Hopkins University) stellar masses for a complete sample of half a million galaxies from the SDSS survey to derive a corrected galaxy stellar mass function at $z=0.1$ in the stellar mass range $9.5<\log(M_\ast/M_\odot)<12.0$. We find that the flux corrections and the use of the MPA-JHU stellar masses have a significant impact on the massive end of the stellar mass function, making the slope significantly shallower than that estimated by Li \& White (2009), but steeper than derived by Bernardi et al. (2013). This corresponds to a mean comoving stellar mass density of galaxies with stellar masses $\log(M_\ast/M_\odot) \ge 11.0$ that is a factor of 3.36 larger than the estimate by Li \& White (2009), but is 43\% smaller than reported by Bernardi et al. (2013).Comment: 11 pages, 8 figures, Accepted to MNRA

Evolutionary plant breeding for low input systems

Heritable variation is at the heart of the process of evolution. However, variation is restricted in breeding for uniform crop populations using the pedigree line approach. Pedigree lines are successful in agriculture because synthetic inputs are used to raise fertility and control weeds, pests and diseases. An alternative method promoted for exploring the value of variation and evolutionary fitness in crops is to create composite cross populations. Composite cross populations are formed by assembling seed stocks with diverse evolutionary origins, recombination of these stocks by hybridization, the bulking of F1 progeny, and subsequent natural election for mass sorting of the progeny in successive natural cropping environments. Composite cross populations can provide dynamic gene pools, which in turn provide a means of conserving germplasm resources: they can also allow selection of heterogeneous crop varieties. The value of composite cross populations in achieving these aims is dependent on the outcome of mass trials by artificial and natural selection acting upon the heterogeneous mixture. There is evidence to suggest that composite cross populations may be an efficient way of providing heterogeneous crops and of selecting superior pure lines for low input systems characterized by unpredictable stress conditions