A Constraint-directed Local Search Approach to Nurse Rostering Problems

In this paper, we investigate the hybridization of constraint programming and local search techniques within a large neighbourhood search scheme for solving highly constrained nurse rostering problems. As identified by the research, a crucial part of the large neighbourhood search is the selection of the fragment (neighbourhood, i.e. the set of variables), to be relaxed and re-optimized iteratively. The success of the large neighbourhood search depends on the adequacy of this identified neighbourhood with regard to the problematic part of the solution assignment and the choice of the neighbourhood size. We investigate three strategies to choose the fragment of different sizes within the large neighbourhood search scheme. The first two strategies are tailored concerning the problem properties. The third strategy is more general, using the information of the cost from the soft constraint violations and their propagation as the indicator to choose the variables added into the fragment. The three strategies are analyzed and compared upon a benchmark nurse rostering problem. Promising results demonstrate the possibility of future work in the hybrid approach

Design and enhanced evaluation of a robust anaphor resolution algorithm

Syntactic coindexing restrictions are by now known to be of central importance to practical anaphor resolution approaches. Since, in particular due to structural ambiguity, the assumption of the availability of a unique syntactic reading proves to be unrealistic, robust anaphor resolution relies on techniques to overcome this deficiency. This paper describes the ROSANA approach, which generalizes the verification of coindexing restrictions in order to make it applicable to the deficient syntactic descriptions that are provided by a robust state-of-the-art parser. By a formal evaluation on two corpora that differ with respect to text genre and domain, it is shown that ROSANA achieves high-quality robust coreference resolution. Moreover, by an in-depth analysis, it is proven that the robust implementation of syntactic disjoint reference is nearly optimal. The study reveals that, compared with approaches that rely on shallow preprocessing, the largely nonheuristic disjoint reference algorithmization opens up the possibility/or a slight improvement. Furthermore, it is shown that more significant gains are to be expected elsewhere, particularly from a text-genre-specific choice of preference strategies. The performance study of the ROSANA system crucially rests on an enhanced evaluation methodology for coreference resolution systems, the development of which constitutes the second major contribution o/the paper. As a supplement to the model-theoretic scoring scheme that was developed for the Message Understanding Conference (MUC) evaluations, additional evaluation measures are defined that, on one hand, support the developer of anaphor resolution systems, and, on the other hand, shed light on application aspects of pronoun interpretation

A Computational Methodology to Screen Activities of Enzyme Variants

We present a fast computational method to efficiently screen enzyme activity. In the presented method, the effect of mutations on the barrier height of an enzyme-catalysed reaction can be computed within 24 hours on roughly 10 processors. The methodology is based on the PM6 and MOZYME methods as implemented in MOPAC2009, and is tested on the first step of the amide hydrolysis reaction catalyzed by Candida Antarctica lipase B (CalB) enzyme. The barrier heights are estimated using adiabatic mapping and are shown to give barrier heights to within 3kcal/mol of B3LYP/6-31G(d)//RHF/3-21G results for a small model system. Relatively strict convergence criteria (0.5kcal/(mol{\AA})), long NDDO cutoff distances within the MOZYME method (15{\AA}) and single point evaluations using conventional PM6 are needed for reliable results. The generation of mutant structure and subsequent setup of the semiempirical calculations are automated so that the effect on barrier heights can be estimated for hundreds of mutants in a matter of weeks using high performance computing