Enhancing the effectiveness of ligand-based virtual screening using data fusion

Data fusion is being increasingly used to combine the outputs of different types of sensor. This paper reviews the application of the approach to ligand-based virtual screening, where the sensors to be combined are functions that score molecules in a database on their likelihood of exhibiting some required biological activity. Much of the literature to date involves the combination of multiple similarity searches, although there is also increasing interest in the combination of multiple machine learning techniques. Both approaches are reviewed here, focusing on the extent to which fusion can improve the effectiveness of searching when compared with a single screening mechanism, and on the reasons that have been suggested for the observed performance enhancement

Automatic Synchronization of Multi-User Photo Galleries

In this paper we address the issue of photo galleries synchronization, where pictures related to the same event are collected by different users. Existing solutions to address the problem are usually based on unrealistic assumptions, like time consistency across photo galleries, and often heavily rely on heuristics, limiting therefore the applicability to real-world scenarios. We propose a solution that achieves better generalization performance for the synchronization task compared to the available literature. The method is characterized by three stages: at first, deep convolutional neural network features are used to assess the visual similarity among the photos; then, pairs of similar photos are detected across different galleries and used to construct a graph; eventually, a probabilistic graphical model is used to estimate the temporal offset of each pair of galleries, by traversing the minimum spanning tree extracted from this graph. The experimental evaluation is conducted on four publicly available datasets covering different types of events, demonstrating the strength of our proposed method. A thorough discussion of the obtained results is provided for a critical assessment of the quality in synchronization.Comment: ACCEPTED to IEEE Transactions on Multimedi