1,183 research outputs found
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
Laplacian Mixture Modeling for Network Analysis and Unsupervised Learning on Graphs
Laplacian mixture models identify overlapping regions of influence in
unlabeled graph and network data in a scalable and computationally efficient
way, yielding useful low-dimensional representations. By combining Laplacian
eigenspace and finite mixture modeling methods, they provide probabilistic or
fuzzy dimensionality reductions or domain decompositions for a variety of input
data types, including mixture distributions, feature vectors, and graphs or
networks. Provable optimal recovery using the algorithm is analytically shown
for a nontrivial class of cluster graphs. Heuristic approximations for scalable
high-performance implementations are described and empirically tested.
Connections to PageRank and community detection in network analysis demonstrate
the wide applicability of this approach. The origins of fuzzy spectral methods,
beginning with generalized heat or diffusion equations in physics, are reviewed
and summarized. Comparisons to other dimensionality reduction and clustering
methods for challenging unsupervised machine learning problems are also
discussed.Comment: 13 figures, 35 reference
Classification in biological networks with hypergraphlet kernels
MOTIVATION: Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins and drugs) and edges represent relational ties between these objects (binds-to, interacts-with and regulates). This approach has been highly successful owing to the theory, methodology and software that support analysis and learning on graphs. Graphs, however, suffer from information loss when modeling physical systems due to their inability to accurately represent multiobject relationships. Hypergraphs, a generalization of graphs, provide a framework to mitigate information loss and unify disparate graph-based methodologies. RESULTS: We present a hypergraph-based approach for modeling biological systems and formulate vertex classification, edge classification and link prediction problems on (hyper)graphs as instances of vertex classification on (extended, dual) hypergraphs. We then introduce a novel kernel method on vertex- and edge-labeled (colored) hypergraphs for analysis and learning. The method is based on exact and inexact (via hypergraph edit distances) enumeration of hypergraphlets; i.e. small hypergraphs rooted at a vertex of interest. We empirically evaluate this method on fifteen biological networks and show its potential use in a positive-unlabeled setting to estimate the interactome sizes in various species. AVAILABILITY AND IMPLEMENTATION: https://github.com/jlugomar/hypergraphlet-kernels. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online
Classification in biological networks with hypergraphlet kernels
Abstract
Motivation
Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins and drugs) and edges represent relational ties between these objects (binds-to, interacts-with and regulates). This approach has been highly successful owing to the theory, methodology and software that support analysis and learning on graphs. Graphs, however, suffer from information loss when modeling physical systems due to their inability to accurately represent multiobject relationships. Hypergraphs, a generalization of graphs, provide a framework to mitigate information loss and unify disparate graph-based methodologies.
Results
We present a hypergraph-based approach for modeling biological systems and formulate vertex classification, edge classification and link prediction problems on (hyper)graphs as instances of vertex classification on (extended, dual) hypergraphs. We then introduce a novel kernel method on vertex- and edge-labeled (colored) hypergraphs for analysis and learning. The method is based on exact and inexact (via hypergraph edit distances) enumeration of hypergraphlets; i.e. small hypergraphs rooted at a vertex of interest. We empirically evaluate this method on fifteen biological networks and show its potential use in a positive-unlabeled setting to estimate the interactome sizes in various species.This work was partially supported by the National Science Foundation (NSF) [DBI-1458477], National Institutes of Health (NIH) [R01 MH105524], the Indiana University Precision Health Initiative, the European Research Council (ERC) [Consolidator Grant 770827], UCL Computer Science, the Slovenian Research Agency project [J1-8155], the Serbian Ministry of Education and Science Project [III44006] and the Prostate Project.Peer ReviewedPostprint (author's final draft
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