10,454 research outputs found
Designing labeled graph classifiers by exploiting the R\'enyi entropy of the dissimilarity representation
Representing patterns as labeled graphs is becoming increasingly common in
the broad field of computational intelligence. Accordingly, a wide repertoire
of pattern recognition tools, such as classifiers and knowledge discovery
procedures, are nowadays available and tested for various datasets of labeled
graphs. However, the design of effective learning procedures operating in the
space of labeled graphs is still a challenging problem, especially from the
computational complexity viewpoint. In this paper, we present a major
improvement of a general-purpose classifier for graphs, which is conceived on
an interplay between dissimilarity representation, clustering,
information-theoretic techniques, and evolutionary optimization algorithms. The
improvement focuses on a specific key subroutine devised to compress the input
data. We prove different theorems which are fundamental to the setting of the
parameters controlling such a compression operation. We demonstrate the
effectiveness of the resulting classifier by benchmarking the developed
variants on well-known datasets of labeled graphs, considering as distinct
performance indicators the classification accuracy, computing time, and
parsimony in terms of structural complexity of the synthesized classification
models. The results show state-of-the-art standards in terms of test set
accuracy and a considerable speed-up for what concerns the computing time.Comment: Revised versio
Graphs in machine learning: an introduction
Graphs are commonly used to characterise interactions between objects of
interest. Because they are based on a straightforward formalism, they are used
in many scientific fields from computer science to historical sciences. In this
paper, we give an introduction to some methods relying on graphs for learning.
This includes both unsupervised and supervised methods. Unsupervised learning
algorithms usually aim at visualising graphs in latent spaces and/or clustering
the nodes. Both focus on extracting knowledge from graph topologies. While most
existing techniques are only applicable to static graphs, where edges do not
evolve through time, recent developments have shown that they could be extended
to deal with evolving networks. In a supervised context, one generally aims at
inferring labels or numerical values attached to nodes using both the graph
and, when they are available, node characteristics. Balancing the two sources
of information can be challenging, especially as they can disagree locally or
globally. In both contexts, supervised and un-supervised, data can be
relational (augmented with one or several global graphs) as described above, or
graph valued. In this latter case, each object of interest is given as a full
graph (possibly completed by other characteristics). In this context, natural
tasks include graph clustering (as in producing clusters of graphs rather than
clusters of nodes in a single graph), graph classification, etc. 1 Real
networks One of the first practical studies on graphs can be dated back to the
original work of Moreno [51] in the 30s. Since then, there has been a growing
interest in graph analysis associated with strong developments in the modelling
and the processing of these data. Graphs are now used in many scientific
fields. In Biology [54, 2, 7], for instance, metabolic networks can describe
pathways of biochemical reactions [41], while in social sciences networks are
used to represent relation ties between actors [66, 56, 36, 34]. Other examples
include powergrids [71] and the web [75]. Recently, networks have also been
considered in other areas such as geography [22] and history [59, 39]. In
machine learning, networks are seen as powerful tools to model problems in
order to extract information from data and for prediction purposes. This is the
object of this paper. For more complete surveys, we refer to [28, 62, 49, 45].
In this section, we introduce notations and highlight properties shared by most
real networks. In Section 2, we then consider methods aiming at extracting
information from a unique network. We will particularly focus on clustering
methods where the goal is to find clusters of vertices. Finally, in Section 3,
techniques that take a series of networks into account, where each network i
Persistence Bag-of-Words for Topological Data Analysis
Persistent homology (PH) is a rigorous mathematical theory that provides a
robust descriptor of data in the form of persistence diagrams (PDs). PDs
exhibit, however, complex structure and are difficult to integrate in today's
machine learning workflows. This paper introduces persistence bag-of-words: a
novel and stable vectorized representation of PDs that enables the seamless
integration with machine learning. Comprehensive experiments show that the new
representation achieves state-of-the-art performance and beyond in much less
time than alternative approaches.Comment: Accepted for the Twenty-Eight International Joint Conference on
Artificial Intelligence (IJCAI-19). arXiv admin note: substantial text
overlap with arXiv:1802.0485
Histopathological image analysis : a review
Over the past decade, dramatic increases in computational power and improvement in image analysis algorithms have allowed the development of powerful computer-assisted analytical approaches to radiological data. With the recent advent of whole slide digital scanners, tissue histopathology slides can now be digitized and stored in digital image form. Consequently, digitized tissue histopathology has now become amenable to the application of computerized image analysis and machine learning techniques. Analogous to the role of computer-assisted diagnosis (CAD) algorithms in medical imaging to complement the opinion of a radiologist, CAD algorithms have begun to be developed for disease detection, diagnosis, and prognosis prediction to complement the opinion of the pathologist. In this paper, we review the recent state of the art CAD technology for digitized histopathology. This paper also briefly describes the development and application of novel image analysis technology for a few specific histopathology related problems being pursued in the United States and Europe
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis
This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002. Four major research areas are discussed, these involving the development of methods for: substructure searching in databases of three-dimensional structures, including both rigid and flexible molecules; the representation and searching of the Markush structures that occur in chemical patents; similarity searching in databases of both two-dimensional and three-dimensional structures; and compound selection and the design of combinatorial libraries. An analysis of citations to 321 publications from the Group shows that it attracted a total of 3725 residual citations during the period 1980-2002. These citations appeared in 411 different journals, and involved 910 different citing organizations from 54 different countries, thus demonstrating the widespread impact of the Group's work
Mixing patterns and community structure in networks
Common experience suggests that many networks might possess community
structure - division of vertices into groups, with a higher density of edges
within groups than between them. Here we describe a new computer algorithm that
detects structure of this kind. We apply the algorithm to a number of
real-world networks and show that they do indeed possess non-trivial community
structure. We suggest a possible explanation for this structure in the
mechanism of assortative mixing, which is the preferential association of
network vertices with others that are like them in some way. We show by
simulation that this mechanism can indeed account for community structure. We
also look in detail at one particular example of assortative mixing, namely
mixing by vertex degree, in which vertices with similar degree prefer to be
connected to one another. We propose a measure for mixing of this type which we
apply to a variety of networks, and also discuss the implications for network
structure and the formation of a giant component in assortatively mixed
networks.Comment: 21 pages, 9 postscript figures, 2 table
Hierarchical information clustering by means of topologically embedded graphs
We introduce a graph-theoretic approach to extract clusters and hierarchies
in complex data-sets in an unsupervised and deterministic manner, without the
use of any prior information. This is achieved by building topologically
embedded networks containing the subset of most significant links and analyzing
the network structure. For a planar embedding, this method provides both the
intra-cluster hierarchy, which describes the way clusters are composed, and the
inter-cluster hierarchy which describes how clusters gather together. We
discuss performance, robustness and reliability of this method by first
investigating several artificial data-sets, finding that it can outperform
significantly other established approaches. Then we show that our method can
successfully differentiate meaningful clusters and hierarchies in a variety of
real data-sets. In particular, we find that the application to gene expression
patterns of lymphoma samples uncovers biologically significant groups of genes
which play key-roles in diagnosis, prognosis and treatment of some of the most
relevant human lymphoid malignancies.Comment: 33 Pages, 18 Figures, 5 Table
Empirical geodesic graphs and CAT(k) metrics for data analysis
A methodology is developed for data analysis based on empirically constructed
geodesic metric spaces. For a probability distribution, the length along a path
between two points can be defined as the amount of probability mass accumulated
along the path. The geodesic, then, is the shortest such path and defines a
geodesic metric. Such metrics are transformed in a number of ways to produce
parametrised families of geodesic metric spaces, empirical versions of which
allow computation of intrinsic means and associated measures of dispersion.
These reveal properties of the data, based on geometry, such as those that are
difficult to see from the raw Euclidean distances. Examples of application
include clustering and classification. For certain parameter ranges, the spaces
become CAT(0) spaces and the intrinsic means are unique. In one case, a minimal
spanning tree of a graph based on the data becomes CAT(0). In another, a
so-called "metric cone" construction allows extension to CAT() spaces. It is
shown how to empirically tune the parameters of the metrics, making it possible
to apply them to a number of real cases.Comment: Statistics and Computing, 201
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