Computational challenges in atomic, molecular and optical physics

Six challenges are discussed. These are the laser-driven helium atom; the laser-driven hydrogen molecule and hydrogen molecular ion: electron scattering (with ionization) from one-electron atoms; the vibrational and rotational structure of molecules such as H-3(+) and water at their dissociation limits; laser- heated clusters; and quantum degeneracy and Bose-Einstein condensation. The first four concern fundamental few-body systems where use of high-performance computing (HPC) is currently making possible accurate modelling from first principles. This leads to reliable predictions and support for laboratory experiment as well as true understanding of the dynamics. Important aspects of these challenges addressable only via a terascale facility are set out. Such a facility makes the last two challenges in the above list meaningfully accessible for the first time, and the scientific interest together with the prospective role for HPC in these is emphasized.

Tudor staphylococcal nuclease is an evolutionarily conserved component of the programmed cell death degradome

Programmed cell death (PCD) is executed by proteases, which cleave diverse proteins thus modulating their biochemical and cellular functions. Proteases of the caspase family and hundreds of caspase substrates constitute a major part of the PCD degradome in animals(1,2). Plants lack close homologues of caspases, but instead possess an ancestral family of cysteine proteases, metacaspases(3,4). Although metacaspases are essential for PCD(5-7), their natural substrates remain unknown(4,8). Here we show that metacaspase mcII-Pa cleaves a phylogenetically conserved protein, TSN (Tudor staphylococcal nuclease), during both developmental and stress-induced PCD. TSN knockdown leads to activation of ectopic cell death during reproduction, impairing plant fertility. Surprisingly, human TSN (also known as p100 or SND1), a multifunctional regulator of gene expression(9-15), is cleaved by caspase-3 during apoptosis. This cleavage impairs the ability of TSN to activate mRNA splicing, inhibits its ribonuclease activity and is important for the execution of apoptosis. Our results establish TSN as the first biological substrate of metacaspase and demonstrate that despite the divergence of plants and animals from a common ancestor about one billion years ago and their use of distinct PCD pathways, both have retained a common mechanism to compromise cell viability through the cleavage of the same substrate, TSN.

Emotional insecurity in the family and community and youth delinquency in Northern Ireland: A person-oriented analysis across five-waves

Background: Over one billion children are exposed worldwide to political violence and armed conflict. Currently, conclusions about bases for adjustment problems are qualified by limited longitudinal research from a process-oriented, social-ecological perspective. In this study, we examined a theoretically-based model for the impact of multiple levels of the social ecology (family, community) on adolescent delinquency. Specifically, this study explored the impact of children’s emotional insecurity about both the family and community on youth delinquency in Northern Ireland. Methods: In the context of a five-wave longitudinal research design, participants included 999 mother-child dyads in Belfast (482 boys, 517 girls), drawn from socially-deprived, ethnically-homogenous areas that had experienced political violence. Youth ranged in age from 10 to 20 and were 12.18 (SD = 1.82) years old on average at Time 1. Findings: The longitudinal analyses were conducted in hierarchical linear modeling (HLM), allowing for the modeling of inter-individual differences in intra-individual change. Intra-individual trajectories of emotional insecurity about the family related to children’s delinquency. Greater insecurity about the community worsened the impact of family conflict on youth’s insecurity about the family, consistent with the notion that youth’s insecurity about the community sensitizes them to exposure to family conflict in the home. Conclusions: The results suggest that ameliorating children’s insecurity about family and community in contexts of political violence is an important goal toward improving adolescents’ well-being, including reduced risk for delinquency.

Regulating Digital Financial Services Agents in Developing Countries to Promote Financial Inclusion

Limited access to bank branches excludes over one billion people from accessing financial services in developing countries. Digital financial services offered by banks and mobile money providers through agents can solve this problem without the need for complex and costly physical banking infrastructures. Delivering digital financial services through agents requires a legal framework to regulate liability. This article analyses whether vicarious liability of the principal is a more efficient regulatory approach than personal liability of the agent. Agent liability in Kenya, Fiji, and Malawi is analysed to demonstrate that vicarious liability of the principal, coupled to an explicit agreement as to agent rewards and penalties, is the more efficient regulatory approach.

Digital unterwegs ohne das virtuelle soziale Netzwerk – qualitative Studie über Facebook-Verweigerung und Virtual Identity Suicide

Das virtuelle soziale Netzwerk Facebook feiert seinen zehnten Geburtstag. Mit über einer Milliarde aktiver Nutzer ist es seit seiner Entstehung zur weltweit größten Internetplattform zur Kommunikation avanciert. Dennoch gibt es in Deutschland eine große Anzahl an Menschen, die sich zwar täglich im Internet bewegt, aber auf eine Mitgliedschaft bei Facebook verzichtet. In dieser Arbeit werden die Gründe untersucht, warum manche Personen Facebook nicht nutzen. Die Leitfrage der Arbeit lautet: „Warum nutzen ausgewählte deutsche Internetnutzer Facebook nicht?“. Es wird zwischen zwei unterschiedlichen Personenkreisen, den Nicht- und den Ex-Nutzern, unterschieden. Basierend auf Leitfadeninterviews mit 25 Befragten, die mittels einer qualitativen Inhaltsanalyse ausgewertet werden, werden elf verschiedene Gründe für eine Verweigerung von Facebook identifiziert. Für die Nicht-Nutzer stellt die Art der Kommunikation den zentralen Grund dar, Facebook nicht zu verwenden. Die Ex-Nutzer wiederum sehen den fehlenden Nutzen der Anwendung als wichtigstes Argument gegen Facebook.

Genetic variants in novel pathways influence blood pressure and cardiovascular disease risk.

Blood pressure is a heritable trait influenced by several biological pathways and responsive to environmental stimuli. Over one billion people worldwide have hypertension (≥140 mm Hg systolic blood pressure or  ≥90 mm Hg diastolic blood pressure). Even small increments in blood pressure are associated with an increased risk of cardiovascular events. This genome-wide association study of systolic and diastolic blood pressure, which used a multi-stage design in 200,000 individuals of European descent, identified sixteen novel loci: six of these loci contain genes previously known or suspected to regulate blood pressure (GUCY1A3-GUCY1B3, NPR3-C5orf23, ADM, FURIN-FES, GOSR2, GNAS-EDN3); the other ten provide new clues to blood pressure physiology. A genetic risk score based on 29 genome-wide significant variants was associated with hypertension, left ventricular wall thickness, stroke and coronary artery disease, but not kidney disease or kidney function. We also observed associations with blood pressure in East Asian, South Asian and African ancestry individuals. Our findings provide new insights into the genetics and biology of blood pressure, and suggest potential novel therapeutic pathways for cardiovascular disease prevention.

Stelco records, 1951-1989

The Steel Company of Canada (Stelco) was formed in 1910 with the incorporation of the Canada Screw Co. Ltd., the Montreal Rolling Mills Co., the Dominion Wire Manufacturing Co. Ltd., the Hamilton Steel and Iron Co. Ltd., and the Canada Bolt and Nut Co. Ltd. By the 1920s, the company was the largest producer of steel ingots in Canada. The 1930s saw continued success and expansion of the company as Stelco increased its iron and steel capacity by 50 percent. The company continued to prosper throughout the next several decades, with sales revenues exceeding one billion dollars in 1974. In 1980, the company officially changed its name to Stelco, in order to simplify its name in both the French and English language. The company began to experience financial difficulties beginning with the recession in 1982. The troubles persisted for the next 25 years as a result of a decreased demand for steel, labour disputes, and high steel imports. In 2004, Stelco entered bankruptcy protection. By 2007, Stelco had lost $240 million in its first four quarters after emerging from bankruptcy protection. That same year Stelco was purchased by the United States Steel Corp. Despite efforts to restructure the company, bankruptcy was again declared in 2014.

Distributed conditional computation

L'objectif de cette thèse est de présenter différentes applications du programme de recherche de calcul conditionnel distribué. On espère que ces applications, ainsi que la théorie présentée ici, mènera à une solution générale du problème d'intelligence artificielle, en particulier en ce qui a trait à la nécessité d'efficience. La vision du calcul conditionnel distribué consiste à accélérer l'évaluation et l'entraînement de modèles profonds, ce qui est très différent de l'objectif usuel d'améliorer sa capacité de généralisation et d'optimisation. Le travail présenté ici a des liens étroits avec les modèles de type mélange d'experts. Dans le chapitre 2, nous présentons un nouvel algorithme d'apprentissage profond qui utilise une forme simple d'apprentissage par renforcement sur un modèle d'arbre de décisions à base de réseau de neurones. Nous démontrons la nécessité d'une contrainte d'équilibre pour maintenir la distribution d'exemples aux experts uniforme et empêcher les monopoles. Pour rendre le calcul efficient, l'entrainement et l'évaluation sont contraints à être éparse en utilisant un routeur échantillonnant des experts d'une distribution multinomiale étant donné un exemple. Dans le chapitre 3, nous présentons un nouveau modèle profond constitué d'une représentation éparse divisée en segments d'experts. Un modèle de langue à base de réseau de neurones est construit à partir des transformations éparses entre ces segments. L'opération éparse par bloc est implémentée pour utilisation sur des cartes graphiques. Sa vitesse est comparée à deux opérations denses du même calibre pour démontrer le gain réel de calcul qui peut être obtenu. Un modèle profond utilisant des opérations éparses contrôlées par un routeur distinct des experts est entraîné sur un ensemble de données d'un milliard de mots. Un nouvel algorithme de partitionnement de données est appliqué sur un ensemble de mots pour hiérarchiser la couche de sortie d'un modèle de langage, la rendant ainsi beaucoup plus efficiente. Le travail présenté dans cette thèse est au centre de la vision de calcul conditionnel distribué émis par Yoshua Bengio. Elle tente d'appliquer la recherche dans le domaine des mélanges d'experts aux modèles profonds pour améliorer leur vitesse ainsi que leur capacité d'optimisation. Nous croyons que la théorie et les expériences de cette thèse sont une étape importante sur la voie du calcul conditionnel distribué car elle cadre bien le problème, surtout en ce qui concerne la compétitivité des systèmes d'experts.

Climate change and hunger as the challenges in the global food system

In the last decades, there has been a growing tendency towards international trade and globalisation, particularly leading to a significant increase in flows of agricultural commodities worldwide. From a macroeconomic perspective, the commodity projections are more optimistic than the previous years and the long run tendency shows an increasing demand for feedstock. However, the strong shifts of shocks and fluctuations (in terms of prices and volumes) are a concern to global food security, with the number of hungry people rising to nearly one billion. Agriculture is a main user of natural resources, and it has a strong link with rural societies and the environment. Forecasted impacts from climate change, limited productive endorsements and emerging rivals on crop production, such bio-energy, aggravate the panorama on food scarcity. In this context, it is a great challenge on farming and food systems to reduce global hunger and produce in sustainable ways adequate supplies for food, feed, and non-food uses. The main objective of this work is to question the sustainability of food and agriculture systems. It is particularly interesting to know its role and if it will be able to respond to a growing population with increasing food demand in a world where pressure on land, water and other natural resources are already evident, and, moreover, climate change will also condition and impact the outcome. Furthermore, a deeper focus will be set on developing countries, which are expected to emerge and take a leading role in the international arena. This short paper is structured as follows: Section I, “Introduction”, describes the social situation regarding hunger, Section II, “Global Context”, attempts to summarise the current scenario in the international trading scheme and present the emerging rivals for primary resources, and in Section III, “Climate Change”, presents an overview of possible changes in the sector and future perspectives in the field. Finally, in Section IV, “Conclusion”, the main conclusions are presented.

Identificación de dinámicas de turismo en la provincia de Gualivá, Municipio de Villeta-Cundinamarca

El presente trabajo pretende aplicar el Modelo SIIC al sector de turismo del municipio de Villeta en la provincia de Gualivá en Cundinamarca, con el objetivo de generar estrategias que permitan hacer del sector turístico un actividad económica representativa y de esta manera aprovechar los recursos, capacidades y oportunidades de progreso, articulando los programas de gobierno con una transformación de la visión sobre la industria. Para esto, se lleva a cabo un diagnóstico de la actividad turística en el mundo, con un análisis de estadísticas e indicadores que reflejan la situación actual del sector. Sucede lo mismo para el turismo en Latinoamérica, específicamente en Colombia y Villeta, de tal manera que se conviertan en la base, junto con la normatividad del sector, para entender y enlazar la información con el modelo. Dicho modelo, recopila el inventario turístico del municipio, así como la demanda y el perfil del turista, pasando por la generación de estrategias competitivas, cooperativas y de relacionamiento que permitan darle un mayor valor agregado a la oferta turística y de esta manera crear posicionamiento del turismo en Villeta a nivel nacional.

La aplicación del TLC entre Colombia y USA en el departamento de Cundinamarca: encuentros y desencuentros en la negociación y sus resultados en el sector avícola. (2003-2014)

Desde que Estados Unidos y Colombia firmaron el Tratado de Libre Comercio se establecieron una serie de acuerdos respecto a diferentes sectores, como lo es el sector avícola. Con su entrada en vigencia se hizo efectiva la desgravación arancelaria y por ende la liberalización de este sector, lo cual pone a la avicultura colombiana y en especial a la avicultura del departamento de Cundinamarca en riesgo debido a los bajos niveles arancelarios que se tienen, así como el diferencial de precios de venta entre Colombia y Estados Unidos. Por tal razón el presente trabajo de grado tiene como objetivo principal analizar los efectos que se han dado por el incumplimiento de los compromisos arancelarios acordados en la negociación del tratado en el sector avícola de Cundinamarca, así como analizar las asimetrías existentes en el nivel de desarrollo económico y la competitividad sectorial.

Monte Carlo numerical treatment of large linear algebra problems

In this paper we deal with performance analysis of Monte Carlo algorithm for large linear algebra problems. We consider applicability and efficiency of the Markov chain Monte Carlo for large problems, i.e., problems involving matrices with a number of non-zero elements ranging between one million and one billion. We are concentrating on analysis of the almost Optimal Monte Carlo (MAO) algorithm for evaluating bilinear forms of matrix powers since they form the so-called Krylov subspaces. Results are presented comparing the performance of the Robust and Non-robust Monte Carlo algorithms. The algorithms are tested on large dense matrices as well as on large unstructured sparse matrices.

Livestock and climate change impacts in the developing world

Livestock farming is one of the most important sectors in agriculture both economically and socially. In the developing world, livestock is crucial to generating livelihoods and food security for some one billion of the world's poorest people. The demand for livestock products is growing as diets change and the world population increases, mainly in the developing world. Climate change only adds to the challenge facing the world's most disadvantaged people. It impacts on livestock production systems and in turn livestock farming impacts on climate change. This paper reviews the complex interaction between livestock production and climate change and proposes strategies that could be used to help sustain livestock as a key feature of rural livelihoods in the developing world.

Climate change and the South Asian summer monsoon

The vagaries of South Asian summer monsoon rainfall on short and long timescales impact the lives of more than one billion people. Understanding how the monsoon will change in the face of global warming is a challenge for climate science, not least because our state-of-the-art general circulation models still have difficulty simulating the regional distribution of monsoon rainfall. However, we are beginning to understand more about processes driving the monsoon, its seasonal cycle and modes of variability. This gives us the hope that we can build better models and ultimately reduce the uncertainty in our projections of future monsoon rainfall.

A vision for attaining food security

Food is fundamental to human wellbeing and development. Increased food production remains a cornerstone strategy in the effort to alleviate global food insecurity. But despite the fact that global food production over the past half century has kept ahead of demand, today around one billion people do not have enough to eat, and a further billion lack adequate nutrition. Food insecurity is facing mounting supply-side and demand-side pressures; key among these are climate change, urbanisation, globalisation, population increases, disease, as well as a number of other factors that are changing patterns of food consumption. Many of the challenges to equitable food access are concentrated in developing countries where environmental pressures including climate change, population growth and other socio-economic issues are concentrated. Together these factors impede people's access to sufficient, nutritious food; chiefly through affecting livelihoods, income and food prices. Food security and human development go hand in hand, and their outcomes are co-determined to a significant degree. The challenge of food security is multi-scalar and cross-sector in nature. Addressing it will require the work of diverse actors to bring sustained improvements inhuman development and to reduce pressure on the environment. Unless there is investment in future food systems that are similarly cross-level, cross-scale and cross-sector, sustained improvements in human wellbeing together with reduced environmental risks and scarcities will not be achieved. This paper reviews current thinking, and outlines these challenges. It suggests that essential elements in a successfully adaptive and proactive food system include: learning through connectivity between scales to local experience and technologies high levels of interaction between diverse actors and sectors ranging from primary producers to retailers and consumers, and use of frontier technologies.