12,040 research outputs found
Optimal Data Collection For Informative Rankings Expose Well-Connected Graphs
Given a graph where vertices represent alternatives and arcs represent
pairwise comparison data, the statistical ranking problem is to find a
potential function, defined on the vertices, such that the gradient of the
potential function agrees with the pairwise comparisons. Our goal in this paper
is to develop a method for collecting data for which the least squares
estimator for the ranking problem has maximal Fisher information. Our approach,
based on experimental design, is to view data collection as a bi-level
optimization problem where the inner problem is the ranking problem and the
outer problem is to identify data which maximizes the informativeness of the
ranking. Under certain assumptions, the data collection problem decouples,
reducing to a problem of finding multigraphs with large algebraic connectivity.
This reduction of the data collection problem to graph-theoretic questions is
one of the primary contributions of this work. As an application, we study the
Yahoo! Movie user rating dataset and demonstrate that the addition of a small
number of well-chosen pairwise comparisons can significantly increase the
Fisher informativeness of the ranking. As another application, we study the
2011-12 NCAA football schedule and propose schedules with the same number of
games which are significantly more informative. Using spectral clustering
methods to identify highly-connected communities within the division, we argue
that the NCAA could improve its notoriously poor rankings by simply scheduling
more out-of-conference games.Comment: 31 pages, 10 figures, 3 table
Developments in the theory of randomized shortest paths with a comparison of graph node distances
There have lately been several suggestions for parametrized distances on a
graph that generalize the shortest path distance and the commute time or
resistance distance. The need for developing such distances has risen from the
observation that the above-mentioned common distances in many situations fail
to take into account the global structure of the graph. In this article, we
develop the theory of one family of graph node distances, known as the
randomized shortest path dissimilarity, which has its foundation in statistical
physics. We show that the randomized shortest path dissimilarity can be easily
computed in closed form for all pairs of nodes of a graph. Moreover, we come up
with a new definition of a distance measure that we call the free energy
distance. The free energy distance can be seen as an upgrade of the randomized
shortest path dissimilarity as it defines a metric, in addition to which it
satisfies the graph-geodetic property. The derivation and computation of the
free energy distance are also straightforward. We then make a comparison
between a set of generalized distances that interpolate between the shortest
path distance and the commute time, or resistance distance. This comparison
focuses on the applicability of the distances in graph node clustering and
classification. The comparison, in general, shows that the parametrized
distances perform well in the tasks. In particular, we see that the results
obtained with the free energy distance are among the best in all the
experiments.Comment: 30 pages, 4 figures, 3 table
Metrics for Graph Comparison: A Practitioner's Guide
Comparison of graph structure is a ubiquitous task in data analysis and
machine learning, with diverse applications in fields such as neuroscience,
cyber security, social network analysis, and bioinformatics, among others.
Discovery and comparison of structures such as modular communities, rich clubs,
hubs, and trees in data in these fields yields insight into the generative
mechanisms and functional properties of the graph.
Often, two graphs are compared via a pairwise distance measure, with a small
distance indicating structural similarity and vice versa. Common choices
include spectral distances (also known as distances) and distances
based on node affinities. However, there has of yet been no comparative study
of the efficacy of these distance measures in discerning between common graph
topologies and different structural scales.
In this work, we compare commonly used graph metrics and distance measures,
and demonstrate their ability to discern between common topological features
found in both random graph models and empirical datasets. We put forward a
multi-scale picture of graph structure, in which the effect of global and local
structure upon the distance measures is considered. We make recommendations on
the applicability of different distance measures to empirical graph data
problem based on this multi-scale view. Finally, we introduce the Python
library NetComp which implements the graph distances used in this work
Numerical Investigation of Metrics for Epidemic Processes on Graphs
This study develops the epidemic hitting time (EHT) metric on graphs
measuring the expected time an epidemic starting at node in a fully
susceptible network takes to propagate and reach node . An associated EHT
centrality measure is then compared to degree, betweenness, spectral, and
effective resistance centrality measures through exhaustive numerical
simulations on several real-world network data-sets. We find two surprising
observations: first, EHT centrality is highly correlated with effective
resistance centrality; second, the EHT centrality measure is much more
delocalized compared to degree and spectral centrality, highlighting the role
of peripheral nodes in epidemic spreading on graphs.Comment: 6 pages, 1 figure, 3 tables, In Proceedings of 2015 Asilomar
Conference on Signals, Systems, and Computer
A kernel-based framework for learning graded relations from data
Driven by a large number of potential applications in areas like
bioinformatics, information retrieval and social network analysis, the problem
setting of inferring relations between pairs of data objects has recently been
investigated quite intensively in the machine learning community. To this end,
current approaches typically consider datasets containing crisp relations, so
that standard classification methods can be adopted. However, relations between
objects like similarities and preferences are often expressed in a graded
manner in real-world applications. A general kernel-based framework for
learning relations from data is introduced here. It extends existing approaches
because both crisp and graded relations are considered, and it unifies existing
approaches because different types of graded relations can be modeled,
including symmetric and reciprocal relations. This framework establishes
important links between recent developments in fuzzy set theory and machine
learning. Its usefulness is demonstrated through various experiments on
synthetic and real-world data.Comment: This work has been submitted to the IEEE for possible publication.
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On similarity prediction and pairwise clustering
We consider the problem of clustering a finite set of items from pairwise similarity information. Unlike what is done in the literature on this subject, we do so in a passive learning setting, and with no specific constraints on the cluster shapes other than their size. We investigate the problem in different settings: i. an online setting, where we provide a tight characterization of the prediction complexity in the mistake bound model, and ii. a standard stochastic batch setting, where we give tight upper and lower bounds on the achievable generalization error. Prediction performance is measured both in terms of the ability to recover the similarity function encoding the hidden clustering and in terms of how well we classify each item within the set. The proposed algorithms are time efficient
Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space?
The organization and mining of malaria genomic and post-genomic data is
highly motivated by the necessity to predict and characterize new biological
targets and new drugs. Biological targets are sought in a biological space
designed from the genomic data from Plasmodium falciparum, but using also the
millions of genomic data from other species. Drug candidates are sought in a
chemical space containing the millions of small molecules stored in public and
private chemolibraries. Data management should therefore be as reliable and
versatile as possible. In this context, we examined five aspects of the
organization and mining of malaria genomic and post-genomic data: 1) the
comparison of protein sequences including compositionally atypical malaria
sequences, 2) the high throughput reconstruction of molecular phylogenies, 3)
the representation of biological processes particularly metabolic pathways, 4)
the versatile methods to integrate genomic data, biological representations and
functional profiling obtained from X-omic experiments after drug treatments and
5) the determination and prediction of protein structures and their molecular
docking with drug candidate structures. Progresses toward a grid-enabled
chemogenomic knowledge space are discussed.Comment: 43 pages, 4 figures, to appear in Malaria Journa
A multi-species functional embedding integrating sequence and network structure
A key challenge to transferring knowledge between species is that different species have fundamentally different genetic architectures. Initial computational approaches to transfer knowledge across species have relied on measures of heredity such as genetic homology, but these approaches suffer from limitations. First, only a small subset of genes have homologs, limiting the amount of knowledge that can be transferred, and second, genes change or repurpose functions, complicating the transfer of knowledge. Many approaches address this problem by expanding the notion of homology by leveraging high-throughput genomic and proteomic measurements, such as through network alignment. In this work, we take a new approach to transferring knowledge across species by expanding the notion of homology through explicit measures of functional similarity between proteins in different species. Specifically, our kernel-based method, HANDL (Homology Assessment across Networks using Diffusion and Landmarks), integrates sequence and network structure to create a functional embedding in which proteins from different species are embedded in the same vector space. We show that inner products in this space and the vectors themselves capture functional similarity across species, and are useful for a variety of functional tasks. We perform the first whole-genome method for predicting phenologs, generating many that were previously identified, but also predicting new phenologs supported from the biological literature. We also demonstrate the HANDL embedding captures pairwise gene function, in that gene pairs with synthetic lethal interactions are significantly separated in HANDL space, and the direction of separation is conserved across species. Software for the HANDL algorithm is available at http://bit.ly/lrgr-handl.Published versio
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