Low complexity method for large-scale self-consistent ab initio electronic-structure calculations without localization

A novel low complexity method to perform self-consistent electronic-structure calculations using the Kohn-Sham formalism of density functional theory is presented. Localization constraints are neither imposed nor required thereby allowing direct comparison with conventional cubically scaling algorithms. The method has, to date, the lowest complexity of any algorithm for an exact calculation. A simple one-dimensional model system is used to thoroughly test the numerical stability of the algorithm and results for a real physical system are also given

Isis: protecting children in online social networks

The aim of the Isis project is to develop an ethics-centred monitoring framework and tools for supporting law enforcement agencies in policing online social networks for the purpose of protecting children. The project is developing natural language analysis techniques to help identify child sex offenders from chat logs and monitoring mechanisms that can be noninvasively attached to file sharing systems for identifying the distributors of child abuse media. The ethical issues associated with such monitoring activities are studied through consultations with representatives from stakeholder communities and fed back into the development of the framework and tools. The project results are to be used and evaluated by specialist international law enforcement agencies as part of their own policing activities

Importance of quantum tunneling in vacancy-hydrogen complexes in diamond

Our ab initio calculations of the hyperfine parameters for negatively charged vacancy-hydrogen and nitrogen-vacancy-hydrogen complexes in diamond compare static defect models and models which account for the quantum tunneling behavior of hydrogen. The static models give rise to hyperfine splittings that are inconsistent with the experimental electron paramagnetic resonance data. In contrast, the hyperfine parameters for the quantum dynamical models are in agreement with the experimental observations. We show that the quantum motion of the proton is crucial to the prediction of symmetry and hyperfine constants for two simple defect centers in diamond. Static a priori methods fail for these systems

The interaction of class and gender in illness narratives

This is the author's accepted manuscript. The final published article is available from the link below. Copyright @ 2008 BSA Publications Ltd.Perspectives on gender and identity that emphasize variability of performance, local context and individual agency have displaced earlier paradigms.These are now perceived to have supported gender stereotypes and language ideologies by emphasizing gender difference and homogeneity within genders. In a secondary analysis of health and illness narratives we explore the interaction of class and gender in individuals' constructions of gendered identity. High social class men perform gender in particularly varied ways and we speculate that this variable repertoire, including the use of what was once termed `women's language', is linked to a capacity to maintain social distinction and authority. Men's performance of conventional masculinity is often threatened by both the experience of illness and being interviewed about personal experience. Lower social class women in particular demonstrate an intensification of a pre-existing informal family and support group culture, marking successful members by awarding them the accolade of being `lovely'.ESR

Cardiac safety of adjuvant pegylated liposomal doxorubicin with concurrent trastuzumab: a randomized phase II trial

Background The cardiac safety of trastuzumab concurrent with pegylated liposomal doxorubicin (PLD) in an adjuvant breast cancer treatment regimen is unknown. Patients and methods Women with resected node-positive or intermediate-risk node-negative HER2 overexpressing breast cancer and baseline left ventricular ejection fraction (LVEF) ≥55% were randomized (1:2) to doxorubicin 60 mg/m2 (A)+cyclophosphamide 600 mg/m2 (C) every 21 days (q21d) for four cycles or PLD 35 mg/m2+C q21d+trastuzumab 2 mg/kg weekly (H) for 12 weeks. Both groups then received paclitaxel (Taxol, T) 80 mg/m2 with H for 12 weeks followed by H to complete 1 year. The primary end point was cardiac event rate or inability to administer 1 year of trastuzumab. Results Of 181 randomized patients, 179 underwent cardiac analysis. The incidence of cardiac toxicity or inability to administer trastuzumab due to cardiotoxicity was 18.6% [n=11; 95% confidence interval (CI) 9.7% to 30.9%] with A+C → T+H and 4.2% (n=5; 95% CI 1.4% to 9.5%) with PLD+C+H → T+H (P=0.0036). All events, except one, were asymptomatic systolic dysfunction or mildly symptomatic heart failure. Mean absolute LVEF reduction at cycle 8 was greater with doxorubicin (5.6% versus 2.1%; P=0.0014). Conclusion PLD+C+H → T+H is feasible and results in lower early cardiotoxicity rates compared with A+C → T+

'What is this corpus about?': Using topic modelling to explore a specialised corpus

This paper introduces topic modelling, a machine learning technique that automatically identifies 'topics' in a given corpus. The paper illustrates its use in the exploration of a corpus of academic English. It first offers the intuitive explanation of the underlying mechanism of topic modelling and describes the procedure for building a model, including the decisions involved in the model-building process. The paper then explores the model. A topic in topic models is characterised by a set of co-occurring words, and we will demonstrate that such topics bring us rich insights into the nature of a corpus. As exemplary tasks, this paper identifies the prominent topics in different parts of papers, investigates the chronological change of a journal, and reveals different types of papers in the journal. The paper further compares topic modelling to two more traditional techniques in corpus linguistics, semantic annotation and keywords analysis, and highlights the strengths of topic modelling.We believe that topic modelling is particularly useful in the initial exploration of a corpus