24,859 research outputs found
A hybrid algorithm for Bayesian network structure learning with application to multi-label learning
We present a novel hybrid algorithm for Bayesian network structure learning,
called H2PC. It first reconstructs the skeleton of a Bayesian network and then
performs a Bayesian-scoring greedy hill-climbing search to orient the edges.
The algorithm is based on divide-and-conquer constraint-based subroutines to
learn the local structure around a target variable. We conduct two series of
experimental comparisons of H2PC against Max-Min Hill-Climbing (MMHC), which is
currently the most powerful state-of-the-art algorithm for Bayesian network
structure learning. First, we use eight well-known Bayesian network benchmarks
with various data sizes to assess the quality of the learned structure returned
by the algorithms. Our extensive experiments show that H2PC outperforms MMHC in
terms of goodness of fit to new data and quality of the network structure with
respect to the true dependence structure of the data. Second, we investigate
H2PC's ability to solve the multi-label learning problem. We provide
theoretical results to characterize and identify graphically the so-called
minimal label powersets that appear as irreducible factors in the joint
distribution under the faithfulness condition. The multi-label learning problem
is then decomposed into a series of multi-class classification problems, where
each multi-class variable encodes a label powerset. H2PC is shown to compare
favorably to MMHC in terms of global classification accuracy over ten
multi-label data sets covering different application domains. Overall, our
experiments support the conclusions that local structural learning with H2PC in
the form of local neighborhood induction is a theoretically well-motivated and
empirically effective learning framework that is well suited to multi-label
learning. The source code (in R) of H2PC as well as all data sets used for the
empirical tests are publicly available.Comment: arXiv admin note: text overlap with arXiv:1101.5184 by other author
Embedding Feature Selection for Large-scale Hierarchical Classification
Large-scale Hierarchical Classification (HC) involves datasets consisting of
thousands of classes and millions of training instances with high-dimensional
features posing several big data challenges. Feature selection that aims to
select the subset of discriminant features is an effective strategy to deal
with large-scale HC problem. It speeds up the training process, reduces the
prediction time and minimizes the memory requirements by compressing the total
size of learned model weight vectors. Majority of the studies have also shown
feature selection to be competent and successful in improving the
classification accuracy by removing irrelevant features. In this work, we
investigate various filter-based feature selection methods for dimensionality
reduction to solve the large-scale HC problem. Our experimental evaluation on
text and image datasets with varying distribution of features, classes and
instances shows upto 3x order of speed-up on massive datasets and upto 45% less
memory requirements for storing the weight vectors of learned model without any
significant loss (improvement for some datasets) in the classification
accuracy. Source Code: https://cs.gmu.edu/~mlbio/featureselection.Comment: IEEE International Conference on Big Data (IEEE BigData 2016
Computational approaches to shed light on molecular mechanisms in biological processes
Computational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines. © Springer-Verlag 2007
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