A Characteristic Function Approach to Inconsistency Measures for Knowledge Bases.

Knowledge is an important component in many intelligent systems.
Since items of knowledge in a knowledge base can be conflicting, especially if
there are multiple sources contributing to the knowledge in this base, significant
research efforts have been made on developing inconsistency measures for
knowledge bases and on developing merging approaches. Most of these efforts
start with flat knowledge bases. However, in many real-world applications, items
of knowledge are not perceived with equal importance, rather, weights (which
can be used to indicate the importance or priority) are associated with items of
knowledge. Therefore, measuring the inconsistency of a knowledge base with
weighted formulae as well as their merging is an important but difficult task. In
this paper, we derive a numerical characteristic function from each knowledge
base with weighted formulae, based on the Dempster-Shafer theory of evidence.
Using these functions, we are able to measure the inconsistency of the knowledge
base in a convenient and rational way, and are able to merge multiple knowledge
bases with weighted formulae, even if knowledge in these bases may be
inconsistent. Furthermore, by examining whether multiple knowledge bases are
dependent or independent, they can be combined in different ways using their
characteristic functions, which cannot be handled (or at least have never been
considered) in classic knowledge based merging approaches in the literature.

Density functional theory study of mixed-phase TiO2: heterostructures and electronic properties

In this work, density functional theory calculations have been performed to study the geometric, electronic, and energetic properties of two-phase TiO2 composites built by joining two single-phase TiO2 slabs, aiming at verifying possible improvement of the photo-activities of the composites through phase separation of excitons. We find that such desired electronic properties can be determined by several factors. When both the HOMO and LUMO levels of one of the two single-phase TiO2 slabs are higher than the corresponding ones of the other, the composite may have native electronic structures with phase-separated HOMO-LUMO states, especially when the two slabs exhibit highly matched surface lattices. For those pairs of TiO2 slabs with the HOMO and LUMO levels of one phase being within the range of those of the other, though the energetically favored composite give HOMO-LUMO states within one phase, one may still be able to separate them and move the HOMO state to the interface region by destabilizing the interactions between the two slabs.

Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory

In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic polarization P as key quantities. We show that a simple local function of P already captures long-range correlation in linear and nonlinear optical response functions. Specifically, after detailing the numerical implementation, we examine the optical absorption, the second- and third-harmonic generation of bulk Si, GaAs, AlAs and CdTe at different level of approximation. We highlight links with ultranonlocal exchange-correlation functional approximations proposed within linear response time-dependent density functional theory framework.