In Machine Translation, it is customary to compute the model score of a predicted hypothesis as a linear combination of multiple features, where each feature assesses a particular facet of the hypothesis. The choice of a linear combination is usually justified by the possibility of efficient inference (decoding); yet, the appropriateness of this simple combination scheme to the task at hand is ...

We propose a feature-based image alignment method for single-particle electron microscopy that is able to accommodate various similarity scoring functions while efficiently sampling the two-dimensional transformational space. We use this image alignment method to evaluate the performance of a scoring function that is based on the Mutual Information (MI) of two images rather than one that is bas...

We have developed an iterative knowledge-based scoring function (ITScore) to describe protein-ligand interactions. Here, we assess ITScore through extensive tests on native structure identification, binding affinity prediction, and virtual database screening. Specifically, ITScore was first applied to a test set of 100 protein-ligand complexes constructed by Wang et al. (J Med Chem 2003, 46, 22...

A key challenge in developing efficient local search solvers is to intelligently balance diversification and intensification. This study proposes a heuristic that integrates a new dynamic scoring function and two different diversification criteria: variable weights and stagnation weights. Our new dynamic scoring function is formulated to enhance the diversification capability in intensification...