On Discriminative Bayesian Network Classifiers and Logistic Regression

Discriminative learning of the parameters in the naive Bayes model is known to be equivalent to a logistic regression problem. Here we show that the same fact holds for much more general Bayesian network models, as long as the corresponding network structure satisfies a certain graph-theoretic property. The property holds for naive Bayes but also for more complex structures such as tree-augmented naive Bayes (TAN) as well as for mixed diagnostic-discriminative structures. Our results imply that for networks satisfying our property, the conditional likelihood cannot have local maxima so that the global maximum can be found by simple local optimization methods. We also show that if this property does not hold, then in general the conditional likelihood can have local, non-global maxima. We illustrate our theoretical results by empirical experiments with local optimization in a conditional naive Bayes model. Furthermore, we provide a heuristic strategy for pruning the number of parameters and relevant features in such models. For many data sets, we obtain good results with heavily pruned submodels containing many fewer parameters than the original naive Bayes model.Editors: Pedro Larrañaga, Jose A. Lozano, Jose M. Peña and Iñaki Inza     

Halogen bonding based recognition processes: a world parallel to hydrogen bonding

Halogen bonding is the noncovalent interaction between halogen atoms (Lewis acids) and neutral or anionic Lewis bases. The main features of the interaction are given, and the close similarity with the hydrogen bonding will become apparent. Some heuristic principles are presented to develop a rational crystal engineering based on halogen bonding. The focus is on halogen-bonded supramolecular architectures given by halocarbons. The potential of the interaction is shown by useful applications in the field of synthetic chemistry, material science, and bioorganic chemistry.     

IMAGE-WARP: a real-space restoration method for high-resolution STEM images using quantitative HRTEM analysis

We have developed a new method for processing distorted high-resolution scanning transmission electron microscopy (STEM) images. The method is based on finding the displaced vertices in the experimental STEM image and warping to geometrically correct reference grid of the object. As a reference grid for warping a structural model obtained using a high-resolution transmission electron microscopy (HRTEM) analysis of the area of interest is utilised. Combined with quantitative HRTEM analysis the IMAGE-WARP method provides a real-space restoration of high-resolution high-angle annular dark-field (HAADF) STEM images without affecting the original Z-contrast information. The method can be applied to extract valuable compositional atomic-column data from any HAADF-STEM image of any kind of bulk crystals with local occupancy or chemistry fluctuations, stacking faults, special grain boundaries or interfaces, for which we have an available structural model. After the warping, distortion-corrected images can be further enhanced using conventional image-filtering techniques, and finally quantified with HAADF-STEM image simulations. The applicability of the IMAGE-WARP method was illustrated using experimental HAADF-STEM images of a strontium titanate crystal disrupted with a Ruddlesden-Popper-type antiphase boundary.     

Fracture initiation and fracture opening under light water reactor conditions

The burst behaviour of fourteen vessels containing longitudinal flaws was investigated. The vessels were made of the two steels: 20 MnMoNi 5 5 with a high upper shelf impact toughness and a special melt of 22 NiMoCr 3 7 with a low upper-shelf impact toughness. The dimensions of the vessels were the same as of the pipes of the primary coolant system (798 O.D. × 47.5 mm wall thickness) of a pressurized water reactor. The test pressure and temperature correspond with the real service conditions of a PWR.Using a highly sophisticated measuring equipment, the time-history of pressure, crack opening and crack-opening area were determined experimentally.     

"Conceptual area" among pathological groups: A failure to replicate.

The ability of the "conceptual-area" scoring system to differentiate between tuberculous, process schizophrenic, reactive schizophrenic, and brain-damaged patients was tested by administering the Object Sorting Test to 125 hospitalized veterans. The diagnostic groups were equivalent in mean education, intelligence, and length of hospitalization, but the tuberculous and brain-damaged patients averaged 8 yr. older than the schizophrenics. None of the scores differentiated the groups at the .05 level. In discussing these results, it was maintained that, contrary to comment in the literature, "conceptual area" has never conclusively differentiated, in a simultaneous comparison, between nonpsychiatric, brain-damaged, and schizophrenic patients, and may not be appropriate for this purpose. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Process control of lightly salted wild and farmed Atlantic cod (Gadus morhua) by brine injection, brining, and freezing--a low field NMR study

The aim of this study was to use low-field nuclear magnetic resonance (NMR) and traditional chemical methods to investigate the physical and chemical differences in wild and farmed cod processed pre- and postrigor, and how these properties were affected by brine injection, brining, and freezing. In prerigor processed farmed or wild cod, brine injections followed by brining for 2 d, with brine concentrations up to 5.5% and 4%, respectively, were not sufficient to reach a muscle salt concentration of 2% as aimed for, while wild cod processed postrigor had sufficient salt uptake after the same processing. Low-field NMR gave valuable information about the differences in the muscle structure between wild and farmed cod as well as the state of the water in the muscle during brine injection, brining, and during rigor tension. Low-field NMR is, therefore, a valuable tool that can be used to optimize the salting and storing processes of lightly salted cod products from both wild and farmed cod. For farmed cod to be used in the production of lightly salted products further research is needed. Practical Application: Optimal processing of lightly salted cod products is important to the fish industry, due to an increasing market for this product in southern Europe. Farmed cod, which is seen as a potential steady raw material source for this production, differs considerably from its wild counterparts by having other chemical and physical muscle properties, such as lower water content and lower pH. With the processing procedures used today the farmed cod can, therefore, only be used in some of the products, where wild cod is currently used as raw material. It is, therefore, important that the processing of these products is optimized with regard to these differences in the raw material. This study gives a valuable contribution to further studies about optimal combinations of brine injections, brining, and freezing of pre- and postrigor processed farmed compared to wild cod.     

A multi-compartment model for slow bronchial clearance of insoluble particles--extension of the ICRP human respiratory tract models

To incorporate the various mechanisms that are presently assumed to be responsible for the experimentally observed slow bronchial clearance into the HRTM, a multi-compartment model was developed to simulate the clearance of insoluble particles in the tracheobronchial tree of the human lung. The new model considers specific mass transfer paths that may play an important role for slow bronchial clearance. These include the accumulation of particulate mass in the periciliary sol layer, phagocytosis of stored particles by airway macrophages and uptake of deposited mass by epithelial cells. Besides the gel layer representing fast mucociliary clearance, all cellular and non-cellular units involved in the slow clearance process are described by respective compartments that are connected by specific transfer rates. The gastrointestinal tract and lymph nodes are included into the model as final accumulation compartments, to which mass is transferred via the airway route and the transepithelial path. Predicted retention curves correspond well with previously published data.