84,168 research outputs found
Learning Large-Scale Bayesian Networks with the sparsebn Package
Learning graphical models from data is an important problem with wide
applications, ranging from genomics to the social sciences. Nowadays datasets
often have upwards of thousands---sometimes tens or hundreds of thousands---of
variables and far fewer samples. To meet this challenge, we have developed a
new R package called sparsebn for learning the structure of large, sparse
graphical models with a focus on Bayesian networks. While there are many
existing software packages for this task, this package focuses on the unique
setting of learning large networks from high-dimensional data, possibly with
interventions. As such, the methods provided place a premium on scalability and
consistency in a high-dimensional setting. Furthermore, in the presence of
interventions, the methods implemented here achieve the goal of learning a
causal network from data. Additionally, the sparsebn package is fully
compatible with existing software packages for network analysis.Comment: To appear in the Journal of Statistical Software, 39 pages, 7 figure
Persistent Homology in Sparse Regression and its Application to Brain Morphometry
Sparse systems are usually parameterized by a tuning parameter that
determines the sparsity of the system. How to choose the right tuning parameter
is a fundamental and difficult problem in learning the sparse system. In this
paper, by treating the the tuning parameter as an additional dimension,
persistent homological structures over the parameter space is introduced and
explored. The structures are then further exploited in speeding up the
computation using the proposed soft-thresholding technique. The topological
structures are further used as multivariate features in the tensor-based
morphometry (TBM) in characterizing white matter alterations in children who
have experienced severe early life stress and maltreatment. These analyses
reveal that stress-exposed children exhibit more diffuse anatomical
organization across the whole white matter region.Comment: submitted to IEEE Transactions on Medical Imagin
Visual and computational analysis of structure-activity relationships in high-throughput screening data
Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets
Identification of functionally related enzymes by learning-to-rank methods
Enzyme sequences and structures are routinely used in the biological sciences
as queries to search for functionally related enzymes in online databases. To
this end, one usually departs from some notion of similarity, comparing two
enzymes by looking for correspondences in their sequences, structures or
surfaces. For a given query, the search operation results in a ranking of the
enzymes in the database, from very similar to dissimilar enzymes, while
information about the biological function of annotated database enzymes is
ignored.
In this work we show that rankings of that kind can be substantially improved
by applying kernel-based learning algorithms. This approach enables the
detection of statistical dependencies between similarities of the active cleft
and the biological function of annotated enzymes. This is in contrast to
search-based approaches, which do not take annotated training data into
account. Similarity measures based on the active cleft are known to outperform
sequence-based or structure-based measures under certain conditions. We
consider the Enzyme Commission (EC) classification hierarchy for obtaining
annotated enzymes during the training phase. The results of a set of sizeable
experiments indicate a consistent and significant improvement for a set of
similarity measures that exploit information about small cavities in the
surface of enzymes
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