6,278 research outputs found
On the equivalence between graph isomorphism testing and function approximation with GNNs
Graph neural networks (GNNs) have achieved lots of success on
graph-structured data. In the light of this, there has been increasing interest
in studying their representation power. One line of work focuses on the
universal approximation of permutation-invariant functions by certain classes
of GNNs, and another demonstrates the limitation of GNNs via graph isomorphism
tests.
Our work connects these two perspectives and proves their equivalence. We
further develop a framework of the representation power of GNNs with the
language of sigma-algebra, which incorporates both viewpoints. Using this
framework, we compare the expressive power of different classes of GNNs as well
as other methods on graphs. In particular, we prove that order-2 Graph
G-invariant networks fail to distinguish non-isomorphic regular graphs with the
same degree. We then extend them to a new architecture, Ring-GNNs, which
succeeds on distinguishing these graphs and provides improvements on real-world
social network datasets
A simple yet effective baseline for non-attributed graph classification
Graphs are complex objects that do not lend themselves easily to typical
learning tasks. Recently, a range of approaches based on graph kernels or graph
neural networks have been developed for graph classification and for
representation learning on graphs in general. As the developed methodologies
become more sophisticated, it is important to understand which components of
the increasingly complex methods are necessary or most effective.
As a first step, we develop a simple yet meaningful graph representation, and
explore its effectiveness in graph classification. We test our baseline
representation for the graph classification task on a range of graph datasets.
Interestingly, this simple representation achieves similar performance as the
state-of-the-art graph kernels and graph neural networks for non-attributed
graph classification. Its performance on classifying attributed graphs is
slightly weaker as it does not incorporate attributes. However, given its
simplicity and efficiency, we believe that it still serves as an effective
baseline for attributed graph classification. Our graph representation is
efficient (linear-time) to compute. We also provide a simple connection with
the graph neural networks.
Note that these observations are only for the task of graph classification
while existing methods are often designed for a broader scope including node
embedding and link prediction. The results are also likely biased due to the
limited amount of benchmark datasets available. Nevertheless, the good
performance of our simple baseline calls for the development of new, more
comprehensive benchmark datasets so as to better evaluate and analyze different
graph learning methods. Furthermore, given the computational efficiency of our
graph summary, we believe that it is a good candidate as a baseline method for
future graph classification (or even other graph learning) studies.Comment: 13 pages. Shorter version appears at 2019 ICLR Workshop:
Representation Learning on Graphs and Manifolds. arXiv admin note: text
overlap with arXiv:1810.00826 by other author
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
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