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© 2022 Neo4j, Inc. All rights reserved.
© 2022 Neo4j, Inc. All rights reserved.
1
Phani Dathar, PhD
Data Science Solution Architect, Neo4j
Graph Data Science:
The Secret
Ingredient for
Relationship-Driven
AI
Neo4j, Inc. All rights reserved 2022
Networks of People Transaction Networks
Bought
B
ou
gh
t
V
i
e
w
e
d
R
e
t
u
r
n
e
d
Bought
Knowledge Networks
Pl
ay
s
Lives_in
In_sport
Likes
F
a
n
_
o
f
Plays_for
Risk management,
Supply chain, Orders,
Payments, etc.
Employees, Customers,
Suppliers, Partners,
Influencers, etc.
Enterprise content,
Domain specific content,
eCommerce content, etc
K
n
o
w
s
Knows
Knows
K
n
o
w
s
2
Everything is Naturally Connected
Neo4j, Inc. All rights reserved 2022
Relationship-Driven AI
● Traditional ML ignore network structure because it’s difficult to extract
● Use the right data structures to store and retrieve relationships
● Add relationships to AI/ML pipelines to make them contextual and to
unlock otherwise unattainable predictions
3
Machine Learning Pipeline
Neo4j, Inc. All rights reserved 2022
4
Let’s Start with an Example…
Neo4j, Inc. All rights reserved 2022
5
Graph to Tabular Data for ML..
Lamp Lightbulbs Pillow **HE Light bulbs
Mingo X
Jane X X
Aditi X
Fabien
…
…
Neo4j, Inc. All rights reserved 2022
6
What’s the Problem?
Generating personalized recommendations is hard due to high
dimensionality and sparse data sets
● History for every customer to generate personalized recommendations
○ Increases the problem of **sparse** and insufficient information
● Reduce dimensionality by matrix factorization and content (word)
embeddings
○ Only suited for content based recommendations
● Macro level insights for cold start problem
○ Generates poor recommendations
Neo4j, Inc. All rights reserved 2022
Take advantage of
● graphs to capture the
network structure
● graph queries to store
and retrieve
relationships
● graph algorithms to
infer relationships
What Should We Do?
Neo4j, Inc. All rights reserved 2022
Knowledge Graphs Graph Feature
Engineering and
Graph ML
Graph Analytics,
Investigations and
Counterfactuals
Integrations and
Knowledge Graphs
for Heuristic AI
Capitalize
Analysis
Data Modeling
8
Graphs Enrich all Stages of AI Ecosystem
Neo4j, Inc. All rights reserved 2022
9
Queries
Find the patterns you know exist.
Machine Learning
Uncover trends and make
predictions
Visualization
Explore, collaborate, and explain
Graph Data Science
Analytics
Feature
Engineering
Data
Exploration
Graph
Data
Science
Queries
Machine Learning Visualization
Neo4j, Inc. All rights reserved 2022
Predictive
Maintenance
Churn
Prediction
Fraud
Detection
Life Sciences
Personalized
Recommendations
Cybersecurity
Disambiguation &
Segmentation
Search &
Master Data Mgmt.
Graphs Data Science Applications
Neo4j, Inc. All rights reserved 2022
11
Graph Data Science
Knowledge Graphs
Graph Algorithms
Graph Native
Machine Learning
Find the patterns you’re
looking for in connected data
Use unsupervised machine
learning techniques to
identify associations.
Use embeddings to learn the
features in your graph that
you don’t even know are
important yet.
Train supervise ML models
to predict links, labels, and
missing data.
Neo4j, Inc. All rights reserved 2022
12
Node
Represents an entity in the graph
Relationship
Connect nodes to each other
Property
Describes a node or relationship:
e.g. name, age, weight etc
Knowledge Graph - Building Blocks
MICA
ANDRE
Name: “Andre”
Born: May 29, 1970
Twitter: “@dan”
Name: “Mica”
Born: Dec 5, 1975
CAR
Brand “Volvo”
Model: “V70”
Since:
Jan 10, 2011
LOVES
LOVES
LOVES
LIVES WITH
O
W
N
S
D
R
I
V
E
S
Neo4j, Inc. All rights reserved 2022
13
Database, Query Language and Visualization
DATA GRAPH
QUERIES
GRAPH
VISUALIZATION
CYPHER
https://neo4j.com/developer/cypher/
Neo4j, Inc. All rights reserved 2022
What can you do with a Knowledge Graph?
Collaborative filtering: users who
bought X, also bought Y (open-
ended pattern matching)
What items make you more likely to
buy additional items in subsequent
transactions?
Traverse hierarchies - what items
are similar 4+ hops out?
How many flagged accounts
are in the applicant’s
network 4+ hops out?
How many login / account
variables in common?
Add these metrics to your
approval process
What completes the
connections from genes to
diseases to targets?
What genes can be reached
4+ hops out from a known drug
target?
What mechanisms in common
are there between two drugs?
Financial Domain Life Sciences Marketing and
Recommendations
Neo4j, Inc. All rights reserved 2022
Supply Chain: Organizational Knowledge Graph
VENDORS AND
SUPPLIERS
OPERATIONS LOGISTICS
SALES &
MARKETING
Bill Of Materials Supply Chain Customer 360
Neo4j, Inc. All rights reserved 2022
16
Graph Data Science
Knowledge Graphs
Graph Algorithms
Graph Native
Machine Learning
Find the patterns you’re
looking for in connected data
Use unsupervised machine
learning techniques to
identify associations.
Use embeddings to learn the
features in your graph that
you don’t even know are
important yet.
Train supervise ML models
to predict links, labels, and
missing data.
Neo4j, Inc. All rights reserved 2022
17
Graph Algorithms
Pathfinding &
Search
• Shortest Path
• Single-Source Shortest Path
• All Pairs Shortest Path
• A* Shortest Path
• Yen’s K Shortest Path
• Minimum Weight Spanning Tree
• K-Spanning Tree (MST)
• Random Walk
• Breadth & Depth First Search
Centrality &
Importance
• Degree Centrality
• Closeness Centrality
• Harmonic Centrality
• Betweenness Centrality & Approx.
• PageRank
• Personalized PageRank
• ArticleRank
• Eigenvector Centrality
• Hyperlink Induced Topic Search (HITS)
• Influence Maximization (Greedy, CELF)
Community
Detection
• Triangle Count
• K-Means
• Local Clustering Coefficient
• Connected Components (Union
Find)
• Strongly Connected Components
• Label Propagation
• Louvain Modularity
• K-1 Coloring
• Modularity Optimization
• Speaker Listener Label Propagation
Supervised
Machine Learning
• Node Classification
• Link Prediction
• Node Regression
… and more!
Heuristic Link
Prediction
• Adamic Adar
• Common Neighbors
• Preferential Attachment
• Resource Allocations
• Same Community
• Total Neighbors
Similarity
• Node Similarity
• K-Nearest Neighbors (KNN)
• Jaccard Similarity
• Cosine Similarity
• Pearson Similarity
• Euclidean Distance
• Approximate Nearest Neighbors (ANN)
Graph
Embeddings
• Node2Vec
• FastRP
• GraphSAGE
• Synthetic Graph Generation
• Scale Properties
• Collapse Paths
• One Hot Encoding
• Split Relationships
• Graph Export
• Pregel API (write your own algos)
Neo4j, Inc. All rights reserved 2022
18
What are Graph Algorithms?
Neo4j, Inc. All rights reserved 2022
19
Enriched Knowledge Graphs
Structured
Unstructured
Ontologies
Graph Algorithms and
Graph Queries
Semantics,
Derived relationships
and additional context
Natural
relationships
Neo4j, Inc. All rights reserved 2022
Graph algorithms and graph embeddings are used for generating
context and resolving identities/entities
Identity Management / Entity Resolution
Neo4j APOC
Capture relationships between
entities across data sources
using a knowledge graph
Create additional
weighted relationships
based on similar text
description and/or other
similar metadata
Construct node
embeddings and
resolve entities based
on weighted pairwise
similarity between
various entities
Identify communities
of entities based on
distance between
node embeddings
Neo4j, Inc. All rights reserved 2022
Personalized Recommendations
Graph algorithms and graph embeddings are used for generating
product recommendations and improving search relevance
Capture customer
interactions and customer
journey using a knowledge
graph
Analyze customer
interactions using graph
queries and find
customer communities
based on common
purchase behavior
Construct node
embeddings and
resolve entities based
on weighted pairwise
similarity between
various entities
Generate product
recommendations
based on
correlations
between products,
search queries and
historical purchases
Neo4j, Inc. All rights reserved 2022
22
Graph Data Science
Knowledge Graphs
Graph Algorithms
Graph Native
Machine Learning
Find the patterns you’re
looking for in connected data
Use unsupervised machine
learning techniques to
identify associations.
Use graph features to learn
the features in your graph
that you don’t even know are
important yet.
Train supervise ML models
to predict links, labels, and
missing data.
Neo4j, Inc. All rights reserved 2022
Graph Feature Engineering
23
Human-crafted query, human-readable result
MATCH (p1:Person)-[:ENEMY]->(:Person)<-[:ENEMY]-(p2:PERSON)
MERGE (p1)-[:FRIEND]->(p2)
AI-learned formula, machine-readable result
Predefined formula, human-readable result
PageRank(Emil) = 13.25
PageRank(Amy) = 4.83
PageRank(Alicia) = 4.75
Node2Vec(Emil) =[5.4 5.1 2.4 4.5 3.1]
Node2Vec(Amy) =[2.8 1.8 7.2 0.9 3.0]
Node2Vec(Alicia)=[1.4 5.2 4.4 3.9 3.2]
Queries
Algorithms
Embeddings
Machine
Learning
Workflows
Train ML models
based on results
Neo4j, Inc. All rights reserved 2022
24
Graph Machine Learning
Graph-Native
Feature
Engineering
Train
Predictive Model
Queries
Algorithms
Embeddings
1. Model Type
2. Property
Selection
3. Train & Test
4. Model
Selection
Apply Model to
Existing / New
Data
Use Predictions
for Decisions
Use Predictions
to Enhance
the Graph
Publish & Share
Store Model in
Database
The Only Completely In-Graph, ML Workflow
Neo4j, Inc. All rights reserved 2022
25
In-Graph Machine Learning
Node
classification:
“What kind of
node is this?”
Link prediction:
“Should there be a
relationship between
these nodes?”
Labeled data: Pairs of nodes
that are either linked or not
Features: Pre-existing
attributes, algorithms
(pageRank), embedding
Neo4j, Inc. All rights reserved 2022
Neo4j Graph Data Science Framework
Neo4j Graph Data
Science Library
Neo4j
Database
Neo4j
Bloom
Scalable Graph Algorithms &
Analytics Workspace
Native Graph Creation &
Persistence
Visual Graph
Exploration & Prototyping
Neo4j, Inc. All rights reserved 2022
27
Neo4j is Part of your Data Ecosystem
DATA SOURCES USE CASES
INGEST
Apache
Hop
Structured
Unstructured
DATA
ANALYTICS
DATA
MANAGEMENT
Journey Analytics
Risk Analytics
Churn Analysis
What-if Analysis
Feature
Engineering & ML
Fraud
Recommendations
Data Fabric
Data Compliance
Data Governance
Data Provenance
Data Lineage
Next Best Case
Ontologies
Neo4j
Bloom
Neo4j
GDS Library
PRODUCT COMPONENTS
APOC
VISUALIZE
AUTO ML
DRIVERS & APIs
Neo4j, Inc. All rights reserved 2022
© 2022 Neo4j, Inc. All rights reserved.
28
Thank you!

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GraphSummit Toronto: Leveraging Graphs for AI and ML

  • 1. © 2022 Neo4j, Inc. All rights reserved. © 2022 Neo4j, Inc. All rights reserved. 1 Phani Dathar, PhD Data Science Solution Architect, Neo4j Graph Data Science: The Secret Ingredient for Relationship-Driven AI
  • 2. Neo4j, Inc. All rights reserved 2022 Networks of People Transaction Networks Bought B ou gh t V i e w e d R e t u r n e d Bought Knowledge Networks Pl ay s Lives_in In_sport Likes F a n _ o f Plays_for Risk management, Supply chain, Orders, Payments, etc. Employees, Customers, Suppliers, Partners, Influencers, etc. Enterprise content, Domain specific content, eCommerce content, etc K n o w s Knows Knows K n o w s 2 Everything is Naturally Connected
  • 3. Neo4j, Inc. All rights reserved 2022 Relationship-Driven AI ● Traditional ML ignore network structure because it’s difficult to extract ● Use the right data structures to store and retrieve relationships ● Add relationships to AI/ML pipelines to make them contextual and to unlock otherwise unattainable predictions 3 Machine Learning Pipeline
  • 4. Neo4j, Inc. All rights reserved 2022 4 Let’s Start with an Example…
  • 5. Neo4j, Inc. All rights reserved 2022 5 Graph to Tabular Data for ML.. Lamp Lightbulbs Pillow **HE Light bulbs Mingo X Jane X X Aditi X Fabien … …
  • 6. Neo4j, Inc. All rights reserved 2022 6 What’s the Problem? Generating personalized recommendations is hard due to high dimensionality and sparse data sets ● History for every customer to generate personalized recommendations ○ Increases the problem of **sparse** and insufficient information ● Reduce dimensionality by matrix factorization and content (word) embeddings ○ Only suited for content based recommendations ● Macro level insights for cold start problem ○ Generates poor recommendations
  • 7. Neo4j, Inc. All rights reserved 2022 Take advantage of ● graphs to capture the network structure ● graph queries to store and retrieve relationships ● graph algorithms to infer relationships What Should We Do?
  • 8. Neo4j, Inc. All rights reserved 2022 Knowledge Graphs Graph Feature Engineering and Graph ML Graph Analytics, Investigations and Counterfactuals Integrations and Knowledge Graphs for Heuristic AI Capitalize Analysis Data Modeling 8 Graphs Enrich all Stages of AI Ecosystem
  • 9. Neo4j, Inc. All rights reserved 2022 9 Queries Find the patterns you know exist. Machine Learning Uncover trends and make predictions Visualization Explore, collaborate, and explain Graph Data Science Analytics Feature Engineering Data Exploration Graph Data Science Queries Machine Learning Visualization
  • 10. Neo4j, Inc. All rights reserved 2022 Predictive Maintenance Churn Prediction Fraud Detection Life Sciences Personalized Recommendations Cybersecurity Disambiguation & Segmentation Search & Master Data Mgmt. Graphs Data Science Applications
  • 11. Neo4j, Inc. All rights reserved 2022 11 Graph Data Science Knowledge Graphs Graph Algorithms Graph Native Machine Learning Find the patterns you’re looking for in connected data Use unsupervised machine learning techniques to identify associations. Use embeddings to learn the features in your graph that you don’t even know are important yet. Train supervise ML models to predict links, labels, and missing data.
  • 12. Neo4j, Inc. All rights reserved 2022 12 Node Represents an entity in the graph Relationship Connect nodes to each other Property Describes a node or relationship: e.g. name, age, weight etc Knowledge Graph - Building Blocks MICA ANDRE Name: “Andre” Born: May 29, 1970 Twitter: “@dan” Name: “Mica” Born: Dec 5, 1975 CAR Brand “Volvo” Model: “V70” Since: Jan 10, 2011 LOVES LOVES LOVES LIVES WITH O W N S D R I V E S
  • 13. Neo4j, Inc. All rights reserved 2022 13 Database, Query Language and Visualization DATA GRAPH QUERIES GRAPH VISUALIZATION CYPHER https://neo4j.com/developer/cypher/
  • 14. Neo4j, Inc. All rights reserved 2022 What can you do with a Knowledge Graph? Collaborative filtering: users who bought X, also bought Y (open- ended pattern matching) What items make you more likely to buy additional items in subsequent transactions? Traverse hierarchies - what items are similar 4+ hops out? How many flagged accounts are in the applicant’s network 4+ hops out? How many login / account variables in common? Add these metrics to your approval process What completes the connections from genes to diseases to targets? What genes can be reached 4+ hops out from a known drug target? What mechanisms in common are there between two drugs? Financial Domain Life Sciences Marketing and Recommendations
  • 15. Neo4j, Inc. All rights reserved 2022 Supply Chain: Organizational Knowledge Graph VENDORS AND SUPPLIERS OPERATIONS LOGISTICS SALES & MARKETING Bill Of Materials Supply Chain Customer 360
  • 16. Neo4j, Inc. All rights reserved 2022 16 Graph Data Science Knowledge Graphs Graph Algorithms Graph Native Machine Learning Find the patterns you’re looking for in connected data Use unsupervised machine learning techniques to identify associations. Use embeddings to learn the features in your graph that you don’t even know are important yet. Train supervise ML models to predict links, labels, and missing data.
  • 17. Neo4j, Inc. All rights reserved 2022 17 Graph Algorithms Pathfinding & Search • Shortest Path • Single-Source Shortest Path • All Pairs Shortest Path • A* Shortest Path • Yen’s K Shortest Path • Minimum Weight Spanning Tree • K-Spanning Tree (MST) • Random Walk • Breadth & Depth First Search Centrality & Importance • Degree Centrality • Closeness Centrality • Harmonic Centrality • Betweenness Centrality & Approx. • PageRank • Personalized PageRank • ArticleRank • Eigenvector Centrality • Hyperlink Induced Topic Search (HITS) • Influence Maximization (Greedy, CELF) Community Detection • Triangle Count • K-Means • Local Clustering Coefficient • Connected Components (Union Find) • Strongly Connected Components • Label Propagation • Louvain Modularity • K-1 Coloring • Modularity Optimization • Speaker Listener Label Propagation Supervised Machine Learning • Node Classification • Link Prediction • Node Regression … and more! Heuristic Link Prediction • Adamic Adar • Common Neighbors • Preferential Attachment • Resource Allocations • Same Community • Total Neighbors Similarity • Node Similarity • K-Nearest Neighbors (KNN) • Jaccard Similarity • Cosine Similarity • Pearson Similarity • Euclidean Distance • Approximate Nearest Neighbors (ANN) Graph Embeddings • Node2Vec • FastRP • GraphSAGE • Synthetic Graph Generation • Scale Properties • Collapse Paths • One Hot Encoding • Split Relationships • Graph Export • Pregel API (write your own algos)
  • 18. Neo4j, Inc. All rights reserved 2022 18 What are Graph Algorithms?
  • 19. Neo4j, Inc. All rights reserved 2022 19 Enriched Knowledge Graphs Structured Unstructured Ontologies Graph Algorithms and Graph Queries Semantics, Derived relationships and additional context Natural relationships
  • 20. Neo4j, Inc. All rights reserved 2022 Graph algorithms and graph embeddings are used for generating context and resolving identities/entities Identity Management / Entity Resolution Neo4j APOC Capture relationships between entities across data sources using a knowledge graph Create additional weighted relationships based on similar text description and/or other similar metadata Construct node embeddings and resolve entities based on weighted pairwise similarity between various entities Identify communities of entities based on distance between node embeddings
  • 21. Neo4j, Inc. All rights reserved 2022 Personalized Recommendations Graph algorithms and graph embeddings are used for generating product recommendations and improving search relevance Capture customer interactions and customer journey using a knowledge graph Analyze customer interactions using graph queries and find customer communities based on common purchase behavior Construct node embeddings and resolve entities based on weighted pairwise similarity between various entities Generate product recommendations based on correlations between products, search queries and historical purchases
  • 22. Neo4j, Inc. All rights reserved 2022 22 Graph Data Science Knowledge Graphs Graph Algorithms Graph Native Machine Learning Find the patterns you’re looking for in connected data Use unsupervised machine learning techniques to identify associations. Use graph features to learn the features in your graph that you don’t even know are important yet. Train supervise ML models to predict links, labels, and missing data.
  • 23. Neo4j, Inc. All rights reserved 2022 Graph Feature Engineering 23 Human-crafted query, human-readable result MATCH (p1:Person)-[:ENEMY]->(:Person)<-[:ENEMY]-(p2:PERSON) MERGE (p1)-[:FRIEND]->(p2) AI-learned formula, machine-readable result Predefined formula, human-readable result PageRank(Emil) = 13.25 PageRank(Amy) = 4.83 PageRank(Alicia) = 4.75 Node2Vec(Emil) =[5.4 5.1 2.4 4.5 3.1] Node2Vec(Amy) =[2.8 1.8 7.2 0.9 3.0] Node2Vec(Alicia)=[1.4 5.2 4.4 3.9 3.2] Queries Algorithms Embeddings Machine Learning Workflows Train ML models based on results
  • 24. Neo4j, Inc. All rights reserved 2022 24 Graph Machine Learning Graph-Native Feature Engineering Train Predictive Model Queries Algorithms Embeddings 1. Model Type 2. Property Selection 3. Train & Test 4. Model Selection Apply Model to Existing / New Data Use Predictions for Decisions Use Predictions to Enhance the Graph Publish & Share Store Model in Database The Only Completely In-Graph, ML Workflow
  • 25. Neo4j, Inc. All rights reserved 2022 25 In-Graph Machine Learning Node classification: “What kind of node is this?” Link prediction: “Should there be a relationship between these nodes?” Labeled data: Pairs of nodes that are either linked or not Features: Pre-existing attributes, algorithms (pageRank), embedding
  • 26. Neo4j, Inc. All rights reserved 2022 Neo4j Graph Data Science Framework Neo4j Graph Data Science Library Neo4j Database Neo4j Bloom Scalable Graph Algorithms & Analytics Workspace Native Graph Creation & Persistence Visual Graph Exploration & Prototyping
  • 27. Neo4j, Inc. All rights reserved 2022 27 Neo4j is Part of your Data Ecosystem DATA SOURCES USE CASES INGEST Apache Hop Structured Unstructured DATA ANALYTICS DATA MANAGEMENT Journey Analytics Risk Analytics Churn Analysis What-if Analysis Feature Engineering & ML Fraud Recommendations Data Fabric Data Compliance Data Governance Data Provenance Data Lineage Next Best Case Ontologies Neo4j Bloom Neo4j GDS Library PRODUCT COMPONENTS APOC VISUALIZE AUTO ML DRIVERS & APIs
  • 28. Neo4j, Inc. All rights reserved 2022 © 2022 Neo4j, Inc. All rights reserved. 28 Thank you!