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Social protection refers to the entire system of protective measures that assist individuals, households, and communities to better manage risks and economic shocks and that provide support to the critically vulnerable. Among the major risks covered are illness, accident, death, unemployment, or old age. Social protection includes public as well as private approaches.
Automated force field optimisation of small molecules using a gradient-based workflow package
(2010)
In this study, the recently developed gradient-based optimisation workflow for the automated development of molecular models is for the first time applied to the parameterisation of force fields for molecular dynamics simulations. As a proof-of-concept, two small molecules (benzene and phosgene) are considered. In order to optimise the underlying intermolecular force field (described by the (12,6)-Lennard-Jones and the Coulomb potential), the energetic and diameter parameters ε and σ are fitted to experimental physical properties by gradient-based numerical optimisation techniques. Thereby, a quadratic loss function between experimental and simulated target properties is minimised with respect to the force field parameters. In this proof-of-concept, the considered physical target properties are chosen to be diverse: density, enthalpy of vapourisation and self-diffusion coefficient are optimised simultaneously at different temperatures. We found that in both cases, the optimisation could be successfully concluded by fulfillment of a pre-defined stopping criterion. Since a fairly small number of iterations were needed to do so, this study will serve as a good starting point for more complex systems and further improvements of the parametrisation task.
Policy based resource management for QoS aware applications in heterogeneous network environments
(2007)
Dynamic configuration and adaptation of resources for QoS-aware applications in heterogeneous access network environment (UMTS, WIMAX, WLAN DVB-T, DVB-H) using automated tools is a challenge today. The focus of this paper is a toolkit for intelligent management of resource allocation in heterogeneous network infrastructures based on policies of different actors (network operator, service providers and users). Policy based management of resources for QoS-aware applications (Video-on-Demand, Mobile TV) dependent on network capabilities, context learning and preferences of the policy actors is proposed, which enhances the current state-of-the-art and IETF standardisation. The policy management toolkit includes components for policy specification, adaptation and enforcement, which are interacting using policy repository. The design allows the automated resource adaptation for QoS based applications based on context information and hierarchical dependencies of policy actors. A learning component is integrated in order to discover the context considering measurement and monitoring data. The policy management tookit is discussed, emphasising on ontology driven policy repository design, context learning and flexible scenario-oriented management interfaces for policy specifications.
A Method of Lines Flux-Difference Splitting Finite Volume Approach for 1D and 2D River Flow Problems
(2001)
Neural networks in a multilayer perceptron architecture are able to classify data and approximate functions based on a set of sample data (curve fitting). These properties are used to investigate experimentally the applicability of neural networks for cost estimation in early phases of product design. Experiments are based on pilot cost data from a manufacturing company. In addition, artificially created simulative data are used for benchmarking. The cost estimation performance is compared to conventional methods, i.e. linear and non-linear parametric regression. Neural networks achieve lower deviations in their cost estimations. Beyond the use of standard neural architectures, simple modifications for a performance improvement are suggested and tested. Finally, a profile for situations where neural networks are appropriate is derived from the results.
News on demand
(1996)
Problems of identifying phenolic compounds during the microbial degradation of olive mill wastewater
(1996)
Crystal stability limits at positive and negative pressures, and crystal-to-glass transitions
(1995)
Spinodal of liquid water
(1993)