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Structural pattern recognition Romain Raveaux [email protected] Maître de conférences Université de Tours Laboratoire d’informatique (LIFAT) Equipe RFAI

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Page 1: Structural pattern recognition - The Home of Romain Raveauxromain.raveaux.free.fr/document/presentation romain... · 2019-03-04 · Structural pattern recognition Romain Raveaux romain.raveaux@univ-tours.fr

Structural pattern recognition

Romain [email protected]

Maître de conférences

Université de Tours

Laboratoire d’informatique (LIFAT)

Equipe RFAI

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Optimisation combinatoire et apprentissage structurel pour

l'appariement et la classification de graphes

Contributions and perspectives

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Contributions and perspectives on combinatorial optimization

and machine learning onto graph space

Application to : graph matching and graph classification

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Presentation : Romain Raveaux

• CV

• Teaching

• Research

• Projects

• Administrative tasks

R. Raveaux 4

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CV

• Diplomas and qualification

2010-2011

CNU Qualification : 27

2006-2010

Doctorat de l’Université de La Rochelle. Mention : Très honorable avec félicitations

Fouille et classification de graphes : Application à l’analyse d’images cadastrales couleurs.

2004-2006

Master Génie Informatique, Université de Rouen.

Option : Extraction et Indexation de l’information.

2004-2006 :

Master Génie Électrique et Informatique Industrielle,Université de Rouen.

Option : Réseaux et Télécoms.

R. Raveaux 5

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CV

• Since 2012, teacher at Université de Tours• At Polytech’Tours (Engineering school)

• Computer Science department

• Since 2012, researcher at LIFAT• Computer science laboratory

• Team : Pattern recognition and image analysis

• 2011-2012 : Research engineers at SOOD company

• 2010-2011 : Attaché Temporaire d’Enseignement et de Recherche à l’IUT d’informatique de La Rochelle

R. Raveaux 6

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Teaching

• Teaching : 241 h EqTD

• Projects : 30 h EqTD

• Responsability : 25 EqTD

R. Raveaux 7

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Research

• Topic : Machine learning, discrete optimization, computer vision

• Supervisor of : 3 PhD students and 3 master students

• 15 journal papers and 25 conferences.

• Projects : members of 3 projets• ALPAGE, CARAMBA, VISIT

• Collaboration : National (GREYC, LITIS, LORIA). International (Campinas,Brazil, Griffith University, Australia)

• Scientific committee: GBR, past: GREC

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Content

• Introduction• Title explanation• Data• Graph-based applications• Applicative Tools

• Combinatorial optimization for graph matching and graph classification• Graph matching• Graph classification

• Machine learning in graph space for matching and classification• Graph matching• Graph classification

• Conclusion• Summary• Perspective

R. Raveaux 9

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Title explanation

• Graph matching in a single picture :

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux 10

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Title explanation

• Graph classification in a single picture :

1

2

3

G

Class 4Classifier

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux 11

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Title explanation

• Combinatorial optimization in a single picture :

A1 B2

3 C D

1-A 1-B 1-C

root

2-A 2-B

3-B

G2G1

1-D

3-C

3-C

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux 12

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Title explanation

• Machine learning in a single picture : Decision processData

Data set 1

Decision

Learningprocess

Model

Data set 2

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph based applications - Applicative Tools

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Title explanation

• Graph space in a single picture :

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data - Graph-based applications - Applicative Tools

R. Raveaux 14

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Data

• Data are crucial for computer scientists

• Data driven :• problems

• models

• solution methods (solving methods)

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

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Type of Data

Taken from M. Bronstein. CVPR Tutorial 2017 16

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Focus on structured Data

• String

• Tree

• Graph

17

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

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Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

String

Taken from: Marçal Rusiñol et al: Symbol spotting in vectorized technical drawingsthrough a lookup table of region strings. PAA 2010

18R. Raveaux

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Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

Tree

R. Raveaux et al:Structured representations in a content based image retrieval context. J. Visual Communication and Image Representation 24(8): 1252-1268 (2013)

19R. Raveaux

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Graph

20

• Data are represented as graphs:• By nature (Social Network, Molecule, Protein interaction network)

• By construction (from images)

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Graph

21

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

A graph can be represented by 4-tuple 𝐺 = (𝑉, 𝐸, 𝜇, 𝜉), with:

V the set of vertices,

𝐸 ⊆ 𝐸 ∩ 𝑉 × 𝑉 the set of edges,

𝜇: 𝑉 → 𝐿𝑉 the function that assigns attributes to vertices,

𝜉: 𝑉 → 𝐿𝐸 the function that assigns attributes to edges,

𝐿𝑉 the set of all possible attributes for vertices,

and 𝐿𝐸 the set of all possible attributes for edges.

R. Raveaux

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Graph

22

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R. Raveaux

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Region Adjacency Graph

23

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Region Adjacency Graph

Impact of noise on Graph-Based Representation 24

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R. Raveaux

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Neighborhood graph

25

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Skeleton Graph

26

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Graph of molecules : Chemoinformatics

27

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Domain structure vs Data on a domain

Taken from [Brontein 2016, CoRR] 28

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Fixed vs different domain

29

1D,2D, 3D shapes(Different graphs)

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

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Structured data

• We will focus on graphs:• Graph as a generalization of Euclidean data : vector, matrix, tensors ….

• Graphs as a generalization of strings and trees.

• By nature, data are more likely to be graphs.

30

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R. Raveaux

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Graph-based applications

• Graph classification/clustering/regression

• Vertex classification/clustering/regression

• Graph matching

• Graph distance

• Graph-based search• Subgraph search• Subgraph spotting• Similarity search

• Graph prototypes• Median graphs/ Super graphs

Artificial Intelligence

is the set of tools to solve these problems : Modelisation, Machine learning, Optimization … …

31

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Graph classification

32

1. cancerous or not cancerous molecules

2. determination of the boiling point

Molecular graph

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Vertex classification

Taken from [Brontein 2016, CoRR] 33

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Vertex classification/clustering

Taken from [Brontein 2016, CoRR] 34

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Semi-supervised vertex classification

• Setting: • Some nodes are labeled (black circle)

• All other nodes are unlabeled

• Task: • Predict node label of unlabeled nodes

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

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Graph matching

• When parts of the object must be tracked or compared.

• Detect and recognize at once

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Graph matching (https://goo.gl/8dYCZb)

• Mettre vidéo graph matching

37

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R. Raveaux

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Graph matching (https://goo.gl/wi5m1E)

38

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R. Raveaux

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Graph distance/similarity

How similar are theses graphs ?

39

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R. Raveaux

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Graph prototype

d1d2

d3

40

G2

G3

G1

Gm

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Applicative Tools

R. Raveaux

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Graph-based search

q G2

G1

G3

G4

G5

G6

41

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What do we need to solve these problems ?

• Modelisation, Machine learning, Optimization, …:• Graph comparison :

• Graph matching

• Graph distance

• Learning capability with graphs :• Learn to match

• Learn to classify

42

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Tools

R. Raveaux

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Two ways to solve the problems

• Graph/Node embedding : [Luqman et al., 2017, PR], [Kipf and Welling, 2017, ICLR].• The graphs/nodes are projected into a vector space

• Graph space : [Neuhaus and Bunke., 2007, MPAI], [Riesen, 2015, ACVPR].• The graphs are compared through graph matching methods.

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Graph space vs graph embedding

Graph space Graph embedding

Graphcomparison

Pros • Manage structure and features at once

• Preserve the structure of graphs

• Fast algorithms available• Many learning techniques

Cons • Slow (Often) a combinatorialproblem

• Lack of learning techniques

• Does not capture the combinatorialnature of the problem

• Loss of topological information

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Tools

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Our positionning

• Many works have focus their interest on graph embeddings.• Review on graph embeddings : [Goyal and Ferrara, 2017, KBSyst][Cai et al,

2017, IEEE TKDE].

• We think it is unfortunate to reduce the graphs into vectors.

• We explore new avenues:• It is interesting to develop learning techniques in graph space.

• It is interesting to design optimization methods in graph space.

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Tools

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Content

• Combinatorial optimization for graph matching and graph classification• Graph matching

• Graph classification

• Machine learning in graph space for matching and classification• Graph matching

• Graph classification

Introduction : Combinatorial Optimization : Machine Learning : ConclusionTitle explanation – Data- Graph-based applications - Tools

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Combinatorial optimization for graph matchingand graph classification• Learning free methods.

• Pure combinatorial problems

Introduction : Combinatorial Optimization : Machine Learning : ConclusionProblems – State of the art – Deadlocks – Contributions - Summary

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Graph matching

• Problems

• State of the art

• Deadlocks

• Contributions

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

R. Raveaux 48

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Graph matching : Problems

• Exact matching

• Error-Tolerent matching• Subgraph matching

• Error-correcting matching

• can be expressed as QAP, MAP-inference, GED problems.

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Graph matching : the Graph Edit Distance (GED) Problem

2

1

G

3

4

a

c

b

G’

2 3

4

a 3

4

a b

4

a b

c

This solution costs:

𝑑 =

𝑜𝑝𝑖 ∈ 𝑜𝑝𝑒𝑟𝑎𝑡𝑖𝑜𝑛𝑠

𝐶(𝑜𝑝𝑖)

Deletion Substitution Substitution Both

Vertices operations

• OP1: 1 ϵ C1

• OP3: 2 a C2

• OP4: 3 b C3

• OP6: 4 c C4

Edges operations

• OP2: (1,2) ϵ C5

• OP5: (2,3) (a,b) C6

• OP7: (3,4) (b,c) C7

• OP8: (2,4) ϵ C8

The goal is to find 𝑑min the set of operations with the minimum cost.

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Graph matching : the Qadratic AssignmentProblem

𝜙 𝑖 = 𝑘𝜙 𝑗 = 𝑙𝐷𝑖,𝑘,𝑗,𝑙 = 𝑐 𝑖𝑗, 𝑘𝑙𝐵𝑖,𝑘 = 𝑐 𝑖, 𝑘𝑁 = 𝑁𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑛𝑜𝑑𝑒𝑠 = 2

i

j

k

l

G1 G2

ij kl

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Graph matching : MAP-inference of a ConditionalRandom Field (CRF)Finding the most likely configuration of discrete CRF. CRF=G1

i

j

k

l

G1 G2

ij kl

𝑥𝑖 𝑎 𝑑𝑖𝑠𝑐𝑟𝑒𝑡𝑒 𝑣𝑎𝑟𝑖𝑎𝑏𝑙𝑒 𝑎𝑠𝑠𝑜𝑐𝑖𝑎𝑡𝑒𝑑 𝑡𝑜 𝑛𝑜𝑑𝑒 𝑖𝑥𝑖 𝑐𝑎𝑛 𝑡𝑎𝑘𝑒 𝑖𝑡𝑠 𝑣𝑎𝑙𝑢𝑒 ∈ 𝑘, 𝑙𝑥𝑖𝑗 𝑡𝑎𝑘𝑒𝑠 𝑖𝑡𝑠 𝑣𝑎𝑙𝑢𝑒 ∈ 𝑘, 𝑙 × {𝑘, 𝑙}

𝑉 = 𝑖, 𝑗 𝑎𝑛𝑑 𝐸 = 𝑖𝑗𝜃 𝑥𝑖 = 𝑐𝑜𝑠𝑡 𝑡𝑜 𝑎𝑠𝑠𝑜𝑐𝑖𝑎𝑡𝑒 𝑖 𝑤𝑖𝑡ℎ 𝑡ℎ𝑒 𝑙𝑎𝑏𝑒𝑙 𝑥𝑖𝜃 𝑥𝑖𝑗 = 𝑐𝑜𝑠𝑡 𝑡𝑜 𝑎𝑠𝑠𝑜𝑐𝑖𝑎𝑡𝑒 𝑖𝑗 𝑤𝑖𝑡ℎ 𝑡ℎ𝑒 𝑙𝑎𝑏𝑒𝑙 𝑥𝑖𝑗

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Graph matching : Related Problems

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

Errot-tolerant graph matching : NP-hard problem. [Zeng et al. 2009, PVLDB]: Combinatorial problem

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Graph matching models

• Graph matching can be expressed by : • Integer Quadratic Program

• Integer Linear Program

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i

j

k

l

G1 G2

ij kl

Graph matching models : Integer QuadraticProgram

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Graph matching models : Integer Linear Program

• Linear constraints

• Linear objective function

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Graph matching : State of the art

Subgraph GM problem Methods

Models

Exact Heuristique

ILP #papers : 0 #papers : 0

IQP #papers : 0 #papers : 7IPFP[Leordeanuet al., 2009]

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Graph matching : State of the art

Error-correcting GM problem

Methods

Models

Exact Heuristique

ILP #papers : 0 #papers : 1ILP [Justice andHero, 2006]

IQP #papers : 0 #papers : 3mIPFP[Bougleuxet al., 2017b]

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Graph matching : State of the artMethods Error-correcting GM Subgraph GM

Constrained quadraticprogramming

#papers : 1 mIPFP [Bougleuxet al., 2017b]

#papers : 4 – IPFP [Leordeanuet al., 2009]

Spectral #papers : 0 #papers : 2 SM[Leordeanuand Hebert, 2005]

Branch and bound #papers : 2 A* [Riesenet al., 2007]

#papers : 0

Bio-inspired #papers : 1 GEDEVO [Ibragimovet al., 2013]

#papers : 2 AG [Cross et al., 1997]

Hungarian method #papers : 3 SFBP [Serratosa,2015]

#papers : 0

Probabilistic #papers : 1 BayesianGED [Myers et al.,2000]

#papers : 1 [Zass andShashua, 2008]

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Deadlocks :

• Facts:• Exact methods are rarely study

• Few works have paid attention to ILP models.

• Deadlocks :• To study exact methods

• To derive heuristics from exact methods

• There is a need to study heuristics according to speed and effectiveness criteria.

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Exact methods for error-correcting matching

• Integer Linear Program

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• Notations

i

j

k

l

G1 G2

ij lk

x

x

y

Error-correcting matching : Integer Linear Program

62

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

[Lerouge et al., 2017, PR]R. Raveaux

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• Objective function:

Vertex substitutions Edge substitutions vertex deletions

vertex insertions edge insertionsedge deletions

Error-correcting matching : Integer Linear Program

63

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substitutionsdeletion

Insertion

Insertion

deletionsubstitutions

Vertices

mapping

constraints

Edges

mapping

constraints

Error-correcting matching : Integer Linear Program

64

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• Topological constraints

i

j

k

l

G1 G2

ij lk

x

x

y

Error-correcting matching : Integer Linear Program

65

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Heuristic : LocBra

• A Matheuristic is derive from F1.

• Δ = 𝐻𝑎𝑚𝑚𝑖𝑛𝑔 𝑑𝑖𝑠𝑡𝑎𝑛𝑐𝑒

• Adding branching constraints

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Heuristic : Anytime

• Export all the list of dUB

• Interruptability: At each iteration, we can

stop the algorithm if it exceeds CT

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

[Abu-Aisheh et al., 2016, PRL]

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Antyime

A A’B B’

C’C D

A-A’ A-B’ A-C’ A-ϵ

root

B-A’ B-C’ B-ϵ

C-C’ C-ϵ

D--ϵ

B-A’ B-B’ B-ϵ

g=1

h=4

f=5

g=2

h=5

f=7

g=3

h=2

f=5

g=1

h=5

f=6

g=4

h=2

f=6

g=4

h=3

f=7

g=4

h=3

f=7

g=1

h=5

f=6

g=1.5

h=4

f=5.5

g=3

h=3

f=6B-B’

g=4

h=3

f=7

g=1.5

h=4

f=5.5

g=2

h=3.8

f=5.8

g: current cost

h: estimated cost

f : total cost

G1 G2

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https://goo.gl/xJn5nq

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https://goo.gl/CebSg2

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Benchmarking

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Conference paper: Z. Abu-Aisheh, R. Raveaux and J-Y Ramel: A Graph Database Repository and

Performance Evaluation Metrics for Graph Edit Distance. GbRPR 2015 : 138-147.

Database # graphs avg. (max) # nodes

Decomposition Overview Purpose

GREC 50 12.5 (20) MIX, 5, 10, 15 and 20 Classification

CMU 111 30 (30) 30 Matching

MUTA 80 40 (70) MIX ,10, 20, 30, … and

70

Classification

PAH 94 20.7 (28) - Classification

Acyclic 185 8.2 (11) - Classification

Alkane 150 8.9 (10) - Classification

Datasets

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[Abu-Aisheh et al.,2015a, GBR]

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ICRP 2016 Contest

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

[Abu-Aisheh et al., 2017, PRL]

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Summary

• Error tolerent graph matching :• New ILP models : F1, F2, F3 :

• New exact methods : Branch-bound, mathematical solver : • Fast convergence, evaluation with heuristics

• New heuristics : Matheuristic and Anytime• Accurate and flexible

• New benchmarks

• A contest

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Graph classification

• Problems

• State of the art

• Deadlocks

• Contributions

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Graph classification

• Learning-free

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Problem

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State of the art : speeding up the kNN problem

Generic (dissimilarity space) Graph oriented methods

Dissimilarity functionMetric property [Uhlmann, 1991, IPL] Fast GED methods [Riesen,

2015, ACVPR ]

Dissimilarity spaceSpace partition, prototypes, hashtable, proximity graph, line search [Malkov and Yashunin, 2016, PAMI]

Graph prototypes [Musmanno and Ribeiro, 2016, EJOR]

• Structuring the dissimilarity space lies at the art of machine learning (out of scope here)

• Graph distance is a combinatorial problem.• Many methods have focused on : fast GED methods.

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Deadlocks

• Is there a way to specialize a line search method to operate on graph space instead of the generic dissimilarity space ?

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Is there a way to specialize a line search method to operate on graph space instead of the generic dissimilarity space ?

• Merging the GED problem and the kNN problem in a single problem:

Γ set of all possible matchings between 𝐺 ∈ 𝑇𝑒𝑆 and 𝐺𝑗 ∈ 𝑇𝑟𝑆

Merging

The set of all possible matchings between 𝐺 and all 𝐺𝑗 ∈ 𝑇𝑟𝑆

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Is there a way to specialize a line search method to operate on graph space instead of the generic dissimilarity space ?

• Merging the GED problem and the kNN problem in a single problem:

Merging

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Classification : Problems – State of the art – Deadlocks – Contributions - Summary

[Abu-Aisheh et al., 2017, PRL]

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Solving the MGED problem

• A Branch and bound method

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Classification : Problems – State of the art – Deadlocks – Contributions - Summary

[Abu-Aisheh et al., 2017, PRL]

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Data sets

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Methods

• Fast GED methods : BP, FBP, DF, BS-1

• Our proposal : one-tree (with different initialisation)

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Classification : Problems – State of the art – Deadlocks – Contributions - Summary

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Classification test

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Classification : Problems – State of the art – Deadlocks – Contributions - Summary

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Summary

• « Learning free » methods for classification

• Merging GED problem and kNN in a single problem (MGED)

• New algorithm for this problem

• Efficient when the data size increases

• Can be combined with other learning based-methods:• Learning the distance

• Learning prototypes

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Classification : Problems – State of the art – Deadlocks – Contributions - Summary

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Machine learning in graph space for matching and classification

Introduction : Combinatorial Optimization : Machine Learning : ConclusionProblems – State of the art – Deadlocks – Contributions - Summary

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Graph matching

• Problem

• State of the art

• Deadlocks

• Contributions

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Learning graph mathching problem

A possible loss :

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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State of the art

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Deadlocks

• How to deal with insertion and deletion costs ?

• Can an heuristic output solutions closer to optimality thanks to machine learning?

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Parametrized GED

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

[Raveaux et al., 2017, GBR].

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Parametrized GED

Φ = 𝑑 ∗, 1 ; 𝑑 ∗, 2 ; 𝑑 ∗, ε ; 𝑑 ∗∗, 12 ; 𝑑 ∗∗, εε𝛽 = 𝛽1 ; 𝛽2 ; 𝛽ε ; 𝛽4 ; 𝛽εε

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Learning with parametrized GED algorithm

• The learning problem reformulated :

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Learning algorithm : gradient descent

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Data set

CMU-House

|TrS| 50

|TeS| 50

|V| 30

|E| 70

Attributes xy distance

Node matching cost 1

Edge matching cost L1 norm

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Methods

• GED solver : BP

• BP without learning

• BP with our learning scheme

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Learning graph matching testhttps://youtu.be/JrMR2-5mjA4

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Learning Graph matching test

Introduction : Combinatorial Optimization : Machine Learning : ConclusionGraph Matching : Problems – State of the art – Deadlocks – Contributions - Summary

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Summary

• Parametrized error correcting graph matching

• Learning scheme for graph matching

• Independent to the graph matching methods

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[Raveaux et al., 2017, GBR].

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Graph classification

• Problem

• State of the art

• Deadlocks

• Contributions

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Problem

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State of the art

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State of the art

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State of the art

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State of the art

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Deadlocks

• Learning graph distance for classification with local parameters for nodes and edges.

• Learning graph matching and graph prototypes in a hierarchical manner.

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Learning graph distance for classification with local parameters for nodes and edges.

Learning rule

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[Martineau et al., 2018, PRL].

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Learning graph distance : Learning algorithm

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[Martineau et al., 2018, PRL].R. Raveaux 109

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Benchmark

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Data sets

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Methods

• Learning schemes for global parameters :• Grid search [Riesen et al, 2009, IVC] (R-1NN)

• Constraint quadratic programming [Cortes et al, 2015, PRL] (C-1NN)

• 1NN methods

• 1NN based on median graphs

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Results

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Learning graph matching and graph prototypes in a hierarchical manner.

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The basics of artificial neural networks

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The basics of graph neural networks

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Adjacency matrix

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Degree matrix

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Key idea and Intuition [Kipf and Welling, 2016]

• The key idea is to generate node embeddings based on local neighborhoods.

• The intuition is to aggregate node information from their neighbors using neural networks.

• Nodes have embeddings at each layer and the neural network can be arbitrary depth. “layer-0” embedding of node u is its input feature, i.e. Fu.

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GNN: a pictorial model

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Simple example of f

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2 issues of this simple example

• Issue 1:• for every node, f sums up all the feature vectors of all neighboring nodes but

not the node itself.

• Fix: simply add the identity matrix to A

• Issue 2:• A is typically not normalized and therefore the multiplication with A will

completely change the scale of the feature vectors.

• Fix: Normalizing A such that all rows sum to one:

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Altogether: [Kipf and Welling, 2016]

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• The two patched mentioned before +

• A better (symmetric) normalization of the adjacency matrix

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Our idea : graph matching based neural network

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Graph convolution layer :

• A layer is composed of many filter graphs (GF)

• A layer outputs : A graph with node features and edge features

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GNN for graph classification

• A GNN outputs : node embeddings

• Adding a global average pooling layer

• Average pooling

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Benchmarking

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Data set : MNIST

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Data set

MNIST

# classes 2

|TrS| 1 000 graphs

|TeS| 5 000 graphs

|V| 196 and 75 nodes

Node Attributes Pixel intensity (gray level)

Edge Attributes none

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Methods

• Lenet 5 [Lecun et al., 1998, IEEE]

• MoNet [Monti et al., 2016, CVPR]

• Our

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Results

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Summary

• Learning scheme for error-correcting graph matching in a classification context.

• Hierarchical leaning of filter graphs and graph similarity.

• Deep learning paradigm can be extended to graph space

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Conclusion

• Summary• Perspective

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Summary

• Remember the cons:• Slow methods (Often) a combinatorial problem• Lack of learning techniques

• Our asnwsers:• Faster methods to compare/classify graphs

• Thanks to discrete optimization techniques.

• Learning algorithm operating in graph space to compare/classify graphs• Parametrized graph matching• Learning scheme merging combinatorial problems and gradient descent

• Deep learning paradigm can be extended to graph space

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Perspectives

• Combinatorial optimization• Application of optimization tools for pattern recognition problems

• Learning prototypes

• Machine learning• Theoretical understanding of what is learned • Common benchmark datasets

• Merging Machine learning and Combinatorial optimization• Integration of machine learning into combinatorial optimization methods

(branch and bounds, matheuristics)• Integration of combinatorial optimization into machine learning mehods

• Combinatorial layers in neural networks

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Thank you for your attention

• Any question ?

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Colleagues from the lab

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Our references :

• [Martineau et al., 2018, PRL] : Maxime Martineau, Romain Raveaux, Donatello Conte, Gilles Venturini. Learning error-correcting graph matching with a multiclass neural network. Pattern Recognition Letters, Elsevier, 2018.

• [Raveaux et al., 2017, GBR] : Romain Raveaux, Maxime Martineau, Donatello Conte, Gilles Venturini: Learning Graph Matching with a Graph-Based Perceptron in a Classification Context. GbRPR 2017: 49-58

• [Abu-Aisheh et al., 2017, PRL] : Zeina Abu-Aisheh, Benoit Gaüzère, Sébastien Bougleux, Jean-Yves Ramel, Luc Brun, Romain Raveaux, Pierre Héroux, Sébastien Adam: Graph edit distance contest: Results and future challenges. Pattern Recognition Letters 100: 96-103 (2017)

• [Abu-Aisheh et al.,2015a, GBR] : Zeina Abu-Aisheh, Romain Raveaux, Jean-Yves Ramel: A Graph DatabaseRepository and Performance Evaluation Metrics for Graph Edit Distance. GbRPR 2015: 138-147

• [Abu-Aisheh et al., 2016, PRL] : Zeina Abu-Aisheh, Romain Raveaux, Jean-Yves Ramel: Anytime graph matching. Pattern Recognition Letters 84: 215-224 (2016)

• [Lerouge et al., 2017, PR] : Julien Lerouge, Zeina Abu-Aisheh, Romain Raveaux, Pierre Héroux, Sébastien Adam: New binary linear programming formulation to compute the graph edit distance. Pattern Recognition 72: 254-265 (2017)

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References

• [Brontein 2016, CoRR] Michael M. Bronstein, Joan Bruna, Yann LeCun, Arthur Szlam, and Pierre Vandergheynst. Geometric deep learning: goingbeyond euclidean data. CoRR, abs/1611.08097, 2016.

• [Luqman et al., 2017, PR] Ramzi Chaieb, Karim Kalti, Muhammad MuzzamilLuqman, Mickaël Coustaty, Jean-Marc Ogier, and Najoua Essoukri Ben Amara. Fuzzy generalized median graphs computation: Application to content-based document retrieval. Pattern Recognition, 72:266 – 284, 2017.

• [Kipf and Welling, 2017, ICLR] Thomas N. Kipf and Max Welling. Semi-supervised classification with graph convolutional networks. CoRR, abs/1609.02907, 2016.

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References

• [Neuhaus and Bunke., 2007, MPAI] M. Neuhaus and H. Bunke. Bridging the gap between graph edit distance and kernel machines. Machine Perception and Artificial Intelligence., 68:17–61, 2007.

• [Riesen, 2015, ACVPR] Kaspar Riesen. Structural Pattern Recognition withGraph Edit Distance - Approximation Algorithms and Applications. Advances in Computer Vision and Pattern Recognition. Springer, 2015. ISBN 978-3-319-27251-1. doi:10.1007/978-3-319-27252-8. URL https://doi.org/10. 1007/978-3-319-27252-8.

• [Goyal and Ferrara, 2017, KBSyst] Palash Goyal and Emilio Ferrara. Graph embedding techniques, applications, and performance: A survey. CoRR, abs/1705.02801, 2017. URL http://arxiv.org/abs/1705.02801

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References

• [Cai et al, 2017, IEEE TKDE] HongYun Cai, Vincent W. Zheng, and Kevin Chen-Chuan Chang. A comprehensive survey of graph embedding: Problems, techniques and applications. CoRR, abs/1709.07604, 2017. URL http://arxiv.org/abs/1709.07604.

• [Zeng et al. 2009, PVLDB] Zhiping Zeng, Anthony K. H. Tung, Jianyong Wang, Jianhua Feng, and Lizhu Zhou. Comparing stars: On approximating graph edit distance. PVLDB, 2(1):25–36, 2009. doi:10.14778/1687627. 1687631. URL http://www.vldb.org/pvldb/2/vldb09-568.pdf.

• [Uhlmann, 1991, IPL] Jeffrey K. Uhlmann. Satisfying general proximity / similarity queries with metric trees. Information Processing Letters, 40(4):175 – 179, 1991. ISSN 0020-0190. doi:https://doi.org/10. 1016/0020-0190(91)90074-R. URL http://www.sciencedirect.com/science/article/pii/ 002001909190074R.

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References

• [Malkov and Yashunin, 2016, PAMI] Yury A. Malkov and D. A. Yashunin. Efficient and robust approximate nearest neighbor search using hierarchical navigable small world graphs. CoRR, abs/1603.09320, 2016. URL http: //arxiv.org/abs/1603.09320

• [Musmanno and Ribeiro, 2016, EJOR] Leonardo M. Musmanno and Celso C. Ribeiro. Heuristics for the generalized median graph problem. European Journal of Operational Research, 254(2):371 – 384, 2016. ISSN 0377-2217. doi:https://doi.org/10.1016/j.ejor.2016.03.048. URL http://www.sciencedirect.com/science/article/pii/S0377221716301941.

• [Lecun et al., 1998, IEEE] Yann Lecun, Léon Bottou, Yoshua Bengio, and Patrick Haffner. Gradient-based learning applied to document recognition. In Proceedings of the IEEE, pages 2278–2324, 1998.

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References

• [Monti et al., 2016, CVPR] Federico Monti, Davide Boscaini, Jonathan Masci, Emanuele Rodolà, Jan Svoboda, and Michael M. Bronstein. Geometric deep learning on graphs and manifolds using mixture model cnns. CoRR, abs/1611.08402, 2016.

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