The study of probability model for compound similarity searching

Information Retrieval or IR system main task is to retrieve relevant documents according to the users query. One of IR most popular retrieval model is the Vector Space Model. This model assumes relevance based on similarity, which is defined as the distance between query and document in the concept space. All currently existing chemical compound database systems have adapt the vector space model to calculate the similarity of a database entry to a query compound. However, it assumes that fragments represented by the bits are independent of one another, which is not necessarily true. Hence, the possibility of applying another IR model is explored, which is the Probabilistic Model, for chemical compound searching. This model estimates the probabilities of a chemical structure to have the same bioactivity as a target compound. It is envisioned that by ranking chemical structures in decreasing order of their probability of relevance to the query structure, the effectiveness of a molecular similarity searching system can be increased. Both fragment dependencies and independencies assumption are taken into consideration in achieving improvement towards compound similarity searching system. After conducting a series of simulated similarity searching, it is concluded that PM approaches really did perform better than the existing similarity searching. It gave better result in all evaluation criteria to confirm this statement. In terms of which probability model performs better, the BD model shown improvement over the BIR model

How informative are spatial CA3 representations established by the dentate gyrus?

In the mammalian hippocampus, the dentate gyrus (DG) is characterized by sparse and powerful unidirectional projections to CA3 pyramidal cells, the so-called mossy fibers. Mossy fiber synapses appear to duplicate, in terms of the information they convey, what CA3 cells already receive from entorhinal cortex layer II cells, which project both to the dentate gyrus and to CA3. Computational models of episodic memory have hypothesized that the function of the mossy fibers is to enforce a new, well separated pattern of activity onto CA3 cells, to represent a new memory, prevailing over the interference produced by the traces of older memories already stored on CA3 recurrent collateral connections. Can this hypothesis apply also to spatial representations, as described by recent neurophysiological recordings in rats? To address this issue quantitatively, we estimate the amount of information DG can impart on a new CA3 pattern of spatial activity, using both mathematical analysis and computer simulations of a simplified model. We confirm that, also in the spatial case, the observed sparse connectivity and level of activity are most appropriate for driving memory storage and not to initiate retrieval. Surprisingly, the model also indicates that even when DG codes just for space, much of the information it passes on to CA3 acquires a non-spatial and episodic character, akin to that of a random number generator. It is suggested that further hippocampal processing is required to make full spatial use of DG inputs.Comment: 19 pages, 11 figures, 1 table, submitte

Approximate Correspondences in High Dimensions

Pyramid intersection is an efficient method for computing an approximate partial matching between two sets of feature vectors. We introduce a novel pyramid embedding based on a hierarchy of non-uniformly shaped bins that takes advantage of the underlying structure of the feature space and remains accurate even for sets with high-dimensional feature vectors. The matching similarity is computed in linear time and forms a Mercer kernel. We also show how the matching itself (a correspondence field) may be extracted for a small increase in computational cost. Whereas previous matching approximation algorithms suffer from distortion factors that increase linearly with the feature dimension, we demonstrate thatour approach can maintain constant accuracy even as the feature dimension increases. When used as a kernel in a discriminative classifier, our approach achieves improved object recognition results over a state-of-the-art set kernel

Thesaurus-assisted search term selection and query expansion: a review of user-centred studies

This paper provides a review of the literature related to the application of domain-specific thesauri in the search and retrieval process. Focusing on studies which adopt a user-centred approach, the review presents a survey of the methodologies and results from empirical studies undertaken on the use of thesauri as sources of term selection for query formulation and expansion during the search process. It summaries the ways in which domain-specific thesauri from different disciplines have been used by various types of users and how these tools aid users in the selection of search terms. The review consists of two main sections covering, firstly studies on thesaurus-aided search term selection and secondly those dealing with query expansion using thesauri. Both sections are illustrated with case studies that have adopted a user-centred approach