From transistor to trapped-ion computers for quantum chemistry

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

Towards a standard methodology to evaluate internal cluster validity indices

The evaluation and comparison of internal cluster validity indices is a critical problem in the clustering area. The methodology used in most of the evaluations assumes that the clustering algorithms work correctly. We propose an alternative methodology that does not make this often false assumption. We compared 7 internal cluster validity indices with both methodologies and concluded that the results obtained with the proposed methodology are more representative of the actual capabilities of the compared indices.

Orígenes, elementos determinantes y resultados de un exitoso proceso de colaboración entre competidores y otros agentes: el cluster de la Alta Cocina Vasca

[ES] El País Vasco es internacionalmente reconocido por su gastronomía y sus grandes cocineros; de hecho, es el territorio del mundo con más estrellas Michelin por kilómetro cuadrado. Esta notoriedad e imagen repercuten muy positivamente en todo el sector gastronómico y en la imagen y proyección turística del País Vasco y se ha logrado gracias a la labor sostenida de un grupo inicial de cocineros, a los que siguieron otros, que realizan importantes esfuerzos de colaboración, sin dejar de competir entre ellos (tratándose de un claro ejemplo de coopetition). El análisis de la relación entre estos grandes cocineros vascos y su entorno, permite identificar un cluster que actualmente se encuentra en fase de madurez con un futuro esperanzador y que ha arrojado importantes beneficios al sector, a cada uno de sus integrantes y a la región en su conjunto muy especialmente en términos de innovación, notoriedad y reputación. Para la realización de este trabajo se ha utilizado, además de la revisión bibliográfica y documental pertinente, una metodología cualitativa, consistente en la realización de entrevistas en profundidad a los siete cocineros fundadores y patronos del Basque Culinary Center (primera Facultad Universitaria de Estudios Gastronómicos de Europa, dependiente de la Universidad de Mondragón). El trabajo es uno de los frutos extraídos de un contrato de colaboración entre el Instituto de Economía Aplicada a la empresa de la UPV/EHU e Innobasque (Agencia Vasca para la Innovación), en el que esta última fijó tanto los objetivos de la investigación como la metodología a utilizar.

Web resources to disseminate methodology in heritage documentation

Impreso por la Diputación Foral de Álava, D.L. VI-430/99.

Scenario Cluster Lagrangian Decomposition in two stage stochastic mixed 0-1 optimization

In this paper we introduce four scenario Cluster based Lagrangian Decomposition (CLD) procedures for obtaining strong lower bounds to the (optimal) solution value of two-stage stochastic mixed 0-1 problems. At each iteration of the Lagrangian based procedures, the traditional aim consists of obtaining the solution value of the corresponding Lagrangian dual via solving scenario submodels once the nonanticipativity constraints have been dualized. Instead of considering a splitting variable representation over the set of scenarios, we propose to decompose the model into a set of scenario clusters. We compare the computational performance of the four Lagrange multiplier updating procedures, namely the Subgradient Method, the Volume Algorithm, the Progressive Hedging Algorithm and the Dynamic Constrained Cutting Plane scheme for different numbers of scenario clusters and different dimensions of the original problem. Our computational experience shows that the CLD bound and its computational effort depend on the number of scenario clusters to consider. In any case, our results show that the CLD procedures outperform the traditional LD scheme for single scenarios both in the quality of the bounds and computational effort. All the procedures have been implemented in a C++ experimental code. A broad computational experience is reported on a test of randomly generated instances by using the MIP solvers COIN-OR and CPLEX for the auxiliary mixed 0-1 cluster submodels, this last solver within the open source engine COIN-OR. We also give computational evidence of the model tightening effect that the preprocessing techniques, cut generation and appending and parallel computing tools have in stochastic integer optimization. Finally, we have observed that the plain use of both solvers does not provide the optimal solution of the instances included in the testbed with which we have experimented but for two toy instances in affordable elapsed time. On the other hand the proposed procedures provide strong lower bounds (or the same solution value) in a considerably shorter elapsed time for the quasi-optimal solution obtained by other means for the original stochastic problem.

A methodology for the semiautomatic annotation of EPEC-RolSem, a basque corpus labeled at predicative level following the PropBank-Verb Net model

In this article we describe the methodology developed for the semiautomatic annotation of EPEC-RolSem, a Basque corpus labeled at predicate level following the PropBank-VerbNet model. The methodology presented is the product of detailed theoretical study of the semantic nature of verbs in Basque and of their similarities and differences with verbs in other languages. As part of the proposed methodology, we are creating a Basque lexicon on the PropBank-VerbNet model that we have named the Basque Verb Index (BVI). Our work thus dovetails the general trend toward building lexicons from tagged corpora that is clear in work conducted for other languages. EPEC-RolSem and BVI are two important resources for the computational semantic processing of Basque; as far as the authors are aware, they are also the first resources of their kind developed for Basque. In addition, each entry in BVI is linked to the corresponding verb-entry in well-known resources like PropBank, VerbNet, WordNet, Levin’s Classification and FrameNet. We have also implemented several automatic processes to aid in creating and annotating the BVI, including processes designed to facilitate the task of manual annotation.

Generating cluster submodels from a multistage stochastic mixed integer optimization model using break stage

We present a scheme to generate clusters submodels with stage ordering from a (symmetric or a nonsymmetric one) multistage stochastic mixed integer optimization model using break stage. We consider a stochastic model in compact representation and MPS format with a known scenario tree. The cluster submodels are built by storing first the 0-1 the variables, stage by stage, and then the continuous ones, also stage by stage. A C++ experimental code has been implemented for reordering the stochastic model as well as the cluster decomposition after the relaxation of the non-anticipativiy constraints until the so-called breakstage. The computational experience shows better performance of the stage ordering in terms of elapsed time in a randomly generated testbed of multistage stochastic mixed integer problems.

Cluster analisiaren aplikazio bat ekonomian Donostiako auzoen ikerketa

Lan honekin Donostiako bizitza kalitatea ikertu nahi dute, hau da etxebizitzetako bizilagunen eta etxebizitzen egitura eta erabileraren arteko erlazio posiblea. Biztanle mota, etxebizitza mota eta Donostiako eremu homogeneoen arteko lotura bilatzen saiatuko dira, Aldagai Anitzeko Analisia, batez ere Osagai Nagusizko Analisia, erabiliz aldagai kopurua murrizteko eta faktore edo osagai gutxitan aldagaien informazio gehiena jasotzeko. Jarraian, Cluster aplikatuko dute auzo homogeneoen taldeak osatzeko.

Estrategias de Marketing para la gestión público-privada del comercio de Guipúzcoa. Un modelo basado en el análisis cluster.

Este artículo trata sobre el desarrollo de áreas comerciales en los alrededores de las ciudades y de cómo el centro urbano ha ido perdiendo atractivo comercial. Esta situación, común en la mayor parte de los países de nuestro entorno, plantea importantes problemas para el comercio tradicional de centro ciudad, que ve como gran parte de sus clientes optan por la oferta de la periferia, con la siguiente fuga de ingresos.

Role of G protein coupled inwardly rectifier K+ channels (GIRK) on the neurobiology depression

353 págs.

The IRYSS-COPD appropriateness study: objectives, methodology, and description of the prospective cohort

Background: Patients with chronic obstructive pulmonary disease (COPD) often experience exacerbations of the disease that require hospitalization. Current guidelines offer little guidance for identifying patients whose clinical situation is appropriate for admission to the hospital, and properly developed and validated severity scores for COPD exacerbations are lacking. To address these important gaps in clinical care, we created the IRYSS-COPD Appropriateness Study. Methods/Design: The RAND/UCLA Appropriateness Methodology was used to identify appropriate and inappropriate scenarios for hospital admission for patients experiencing COPD exacerbations. These scenarios were then applied to a prospective cohort of patients attending the emergency departments (ED) of 16 participating hospitals. Information was recorded during the time the patient was evaluated in the ED, at the time a decision was made to admit the patient to the hospital or discharge home, and during follow-up after admission or discharge home. While complete data were generally available at the time of ED admission, data were often missing at the time of decision making. Predefined assumptions were used to impute much of the missing data. Discussion: The IRYSS-COPD Appropriateness Study will validate the appropriateness criteria developed by the RAND/UCLA Appropriateness Methodology and thus better delineate the requirements for admission or discharge of patients experiencing exacerbations of COPD. The study will also provide a better understanding of the determinants of outcomes of COPD exacerbations, and evaluate the equity and variability in access and outcomes in these patients.

Development of new applications of inductively coupled plasma mass spectrometry (ICP-MS) hyphenated with different sample introduction systems

225 p. : il. Texto en español con conclusiones en inglés

The Costs of Ecosystem Adaptation: Methodology and Estimates for Indian Forests

34 p.

The Uniform World Model: A Methodology for Predicting the Health Impacts of Air Pollution

47 p.

Identifying social determinants of urban low carbon transitions: the case of energy transition in Bilbao, Basque Country

33 p.