Gaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons

We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a fixed functional form and hence is capable of modeling complex potential energy landscapes. It is systematically improvable with more data. We apply the method to bulk carbon, silicon and germanium and test it by calculating properties of the crystals at high temperatures. Using the interatomic potential to generate the long molecular dynamics trajectories required for such calculations saves orders of magnitude in computational cost.Comment: v3-4: added new material and reference

Live Synchronous Web Meetings in Asynchronous Online Courses: Reconceptualizing Virtual Office Hours

Most online courses rely solely on asynchronous text-based online communication. This type of communication can foster anytime, anywhere reflection, critical thinking, and deep learning. However, it can also frustrate participants because of the lack of spontaneity and visual cues and the time it takes for conversations to develop and feedback to be shared, as well as the self-directedness and discipline it requires of participants to regularly check in and monitor discussions over time. Synchronous forms of communication can address some of these constraints. However, online educators often avoid using synchronous forms of communication in their courses, because of its own constraints. In this paper, we describe how we integrated live synchronous web meetings into asynchronous online courses, collected student feedback, and made iterative changes and refinements based on student feedback over time. We conclude with implications for practice

A Bayesian Nonparametric Approach to Modeling Motion Patterns

The most difficult—and often most essential— aspect of many interception and tracking tasks is constructing motion models of the targets to be found. Experts can often provide only partial information, and fitting parameters for complex motion patterns can require large amounts of training data. Specifying how to parameterize complex motion patterns is in itself a difficult task. In contrast, nonparametric models are very flexible and generalize well with relatively little training data. We propose modeling target motion patterns as a mixture of Gaussian processes (GP) with a Dirichlet process (DP) prior over mixture weights. The GP provides a flexible representation for each individual motion pattern, while the DP assigns observed trajectories to particular motion patterns. Both automatically adjust the complexity of the motion model based on the available data. Our approach outperforms several parametric models on a helicopter-based car-tracking task on data collected from the greater Boston area

An integrated mid-range theory of postpartum family development: a guide for research and practice.

AIM: This paper is a report of a study to identify parents' perceptions of postpartum family experiences. BACKGROUND: There is a growing worldwide emphasis on family support. Government policy in the United Kingdom advocates a family-centred approach in which a core universal postbirth service is offered to all families with additional support for parents of children with complex needs. Health visitors provide family postpartum care without an agreed theory directing or standardizing practice. There is a need to identify parental experiences to define family-centred care. METHOD: A qualitative, exploratory approach was undertaken using a purposive sample of 17 postpartum families. Data were collected in one region of Northern Ireland in 2001-2002. Participants' experiences and views were accessed during two focus groups with a total of seven participants, and six in-depth interviews. Thematic analysis was conducted. FINDINGS: One core theme, 'thriving and surviving', and three main themes, 'baby nurture', 'life changes', 'coping and adapting resources', were identified to describe how parents developed during the first 8-week postpartum. These were influenced by the physical, the psychosocial and the environmental factors. The identified themes were mapped together to form an Integrated Mid-Range Theory of Postpartum Parent Development. CONCLUSION: As parents need to negotiate successfully both present coping and future development during the postpartum period, there is a need for professionals to offer services that are orientated to holistic short- and long-term well-being. The findings, further to additional research, may be used by health visitors and other professionals to direct universal postpartum care

A922 Sequential measurement of 1 hour creatinine clearance (1-CRCL) in critically ill patients at risk of acute kidney injury (AKI)

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Knot selection in sparse Gaussian processes with a variational objective function

Sparse, knot‐based Gaussian processes have enjoyed considerable success as scalable approximations of full Gaussian processes. Certain sparse models can be derived through specific variational approximations to the true posterior, and knots can be selected to minimize the Kullback‐Leibler divergence between the approximate and true posterior. While this has been a successful approach, simultaneous optimization of knots can be slow due to the number of parameters being optimized. Furthermore, there have been few proposed methods for selecting the number of knots, and no experimental results exist in the literature. We propose using a one‐at‐a‐time knot selection algorithm based on Bayesian optimization to select the number and locations of knots. We showcase the competitive performance of this method relative to optimization of knots simultaneously on three benchmark datasets, but at a fraction of the computational cost

Adoption of total quality management in the educational sector: case study of Engineering Institutions

Abstract : Due to the aspirations of various institutional stakeholders clamoring for improvement in the quality of education in their various institutions, the concept of total quality management has gained so much attention to this regard. In the recent time, several emphases have been made on the need for quality improvement and efforts are been put in place on the possible ways of increasing the standard of education globally. The productivity of any tertiary institution, especially the Engineering colleges is centered on the quality culture of such institutions, also, the customer’s satisfaction is another thing to put into consideration, to achieve the desired productivity. Generally, there are some constructs which are the major critical success factors that enhances quality improvement in any organization, customer satisfaction has been identified as another important factor to put into consideration to achieve optimum quality of products as well as services. This paper gives an insight on how the implementation of Total Quality Management in an Engineering educational system can aid the Quality of Engineering Education