Linear discriminant analysis (LDA) can be viewed as a twostage procedure geometrically. The first stage conducts an orthogonal and whitening transformation of the variables. The second stage involves a principal component analysis (PCA) on the transformed class means, which is intended to maximize the class separability along the principal axes. In this paper, we demonstrate that the second sta...

To investigate the X-ray absorption (XAS) branching ratio from the core 4d to valence 5f states, we set up a theoretical framework by using a combination of density functional theory in the Local Density Approximation and Dynamical Mean-Field Theory (LDA+DMFT), and apply it to several actinides. The results of the LDA+DMFT reduces to the band limit for itinerant systems and to the atomic limit ...

The frequency-dependent response of a one-dimensional fermion system is investigated using Current Density Functional Theory (CDFT) within the local approximation (LDA). DFT-LDA, and in particular CDFT-LDA, reproduces very well the dispersion of the collective excitations. Unsurprisingly, however, the approximation fails for details of the dynamic response for large wavevectors. In particular, ...

Child language narratives are used for language analysis, measurement of language development, and the detection of language impairment. In this paper, we explore the use of Latent Dirichlet Allocation (LDA) for detecting topics from narratives, and use the topics derived from LDA in two classification tasks: automatic prediction of coherence and language impairment. Our experiments show LDA is...

We present a first principle investigation of the electronic structure and the band gap bowing parameter of zinc-blende AlxGa1−xN using both local density approximation and screened-exchange density functional method. The calculated sX-LDA band gaps for GaN and AlN are 95% and 90% of the experimentally observed values, respectively, while LDA underestimates the gaps to 62% and 70%. In contrast ...

Ortholithiations of a range of arenes mediated by lithium diisopropylamide (LDA) in THF at -78 degrees C reveal substantial accelerations by as little as 0.5 mol % of LiCl (relative to LDA). Substrate dependencies suggest a specific range of reactivity within which the LiCl catalysis is optimal. Standard protocols with unpurified commercial samples of n-butyllithium to prepare LDA or commercial...

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-...

Sediment chronologies based on radioisotope depth profiles were developed at two sites in the San Francisco Bay estuary to provide a framework for interpreting historical trends in organic compound and metal contaminant inputs. At Richardson Bay near the estuary mouth, sediments are highly mixed by biological andror physical processes. Excess Th penetration ranged from 2 to more than 10 cm at e...

Particulate prosthetic materials are often studied by adding them to monocytic cells in vitro and measuring the release of cytokines as an indicator of their inflammatory potential. Endotoxin is known to be a contaminant of particle preparations and also stimulates the release of cytokines. It is usual to use a proprietary endotoxin test to avoid erroneous results. Four different formulations o...

In this paper, a relationship between Linear Discriminant Analysis (LDA) and the generalized Minimum Squared Error (MSE) solution is presented. The generalized MSE solution is shown to be equivalent to applying a certain classification rule in the space defined by LDA. The relationship between the MSE solution and Fisher Discriminant Analysis (FDA) is extended to multi-class problems and also t...