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WIFI SSID:SparkAISummit | Password: UnifiedAnalytics
Jake Graham & Alicia Frame, Neo4j
How Graph Technology is
Changing AI
#UnifiedAnalytics #SparkAISummit
FinCrime Detection Drug Discovery Recommendations
Cybersecurity Predictive Maintenance
Customer Segmentation
Churn Prediction Search/MDM
Where Do Graphs Matter?
CAR
DRIVES
name: “Dan”
born: May 29, 1970
twitter: “@dan”
name: “Ann”
born: Dec 5, 1975
since:
Jan 10, 2011
brand: “Volvo”
model: “V70”
Latitude: 37.5629900°
Longitude: -122.3255300°
Nodes
• Can have Labels to classify nodes
• Labels have native indexes
Relationships
• Relate nodes by type and direction
Properties
• Attributes of Nodes & Relationships
• Stored as Name/Value pairs
• Can have indexes and composite indexes
MARRIED TO
LIVES WITH
OW
NS
PERSON PERSON
5
Labeled Property Graphs
Graphs provide more accurate predictions
With the data you already have
o Current data science models ignore network structure and complex
relationships
o Graph models add highly predictive features to existing ML models
MACHINE LEARNING LIBRARY
The idea is that graph networks are bigger than any one machine-learning
approach. Graphs bring an ability to generalize about structure that the
individual neural nets don't have.
Lest you think the authors think they've got it all figured out, the paper
lists some lingering shortcomings. Battaglia et al. pose the big question,
"Where do the graphs come from that graph networks operate over?”
SparkCypher &
SparkGraph
Neo4j
Morpheus
Neo4j Graph
Platform
Cypher 9 in Spark to
create non-
persistent graphs
Cypher 10 over
Spark for seamless
Neo4j integration
Native Graph
Algorithms,
Processing, and
Storage
Graph Model Building
Explore Graphs Build Graphs
o Massively scalable
o Powerful data pipelining
o Robust ML Libraries
o Non-persistent, non-native graphs
o Persistent, dynamic graphs
o Graph native query and algorithm
performance
o Constantly growing list of graph
algorithms and embeddings
in in
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Connecting the Dots at NASA
“Using Neo4j someone from our Orion project found information from the Apollo
project that prevented an issue, saving well over two years of work and one
million dollars of taxpayer funds.”
David Meza, Chief Knowledge Architect – NASA 2015
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Mining Knowledge Graphs for Drug Discovery
• HetioNet is a knowledge
graph integrating over 50
years of biomedical data
• Leveraged to predict new
uses for drugs by using the
graph topology to create
features to predict new
links
14
Knowledge Graphs - het.io
• HetioNet is a knowledge
graph integrating over 50
years of biomedical data
• Leveraged to predict new
uses for drugs by using the
graph topology to create
features to predict new
links
15
Knowledge Graphs - het.io
• HetioNet is a knowledge
graph integrating over 50
years of biomedical data
• Leveraged to predict new
uses for drugs by using the
graph topology to create
features to predict new
links
16
Knowledge Graphs: getting started
17
Graph
Transactions
Graph
Analytics
• Build a graph data
pipeline to bring into
native graph
• Bring graph features
back to ML pipeline
• Move to Neo4J to build
expert queries and
persist your graph
• Merge distributed data
into dataframes
• Reshape your tables
into graphs
• Explore cypher queries
SparkCypher &
SparkGraph
Neo4j
Morpheus
Neo4j Graph
Platform
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Graph Feature Engineering
19
MACHINE LEARNING LIBRARY
Make use of your existing machine learning pipeline:
• Tabular data from Spark
• Enriched with graph based features from Neo4j
• Combined into a single model building pipeline
Categories of Graph Features
20
Pathfinding
& Search
Centrality /
Importance
Community
Detection
Heuristic Link Prediction
Finds optimal paths
or evaluates route
availability and quality
Determines the
importance of distinct
nodes in the network
Detects group
clustering or partition
options
Evaluates how
alike nodes are
Estimates the likelihood of
nodes forming a relationship
SimilarityEmbeddings
Vectors that capture
connectivity or topology
Financial Crime: Detecting Fraud
21
Many large financial
institutions have existing
pipelines to identify fraud
Graph based features
improve accuracy:
• Connected components to
identify disjoint graphs
• PageRank to measure influence
• Louvain to identify communities
• Jaccard to measure account
similarity
Financial Crime: Detecting Fraud
22
Many large financial
institutions have existing
pipelines to identify fraud
Graph based features
improve accuracy:
• Connected components to
identify disjoint graphs
• PageRank to measure influence
• Louvain to identify communities
• Jaccard to measure account
similarity
Graph Feature Engineering: getting started
23
Graph
Transactions
Graph
Analytics
• Move to Neo4J to build
run native graph
algorithms
• Write algorithm derived
features to persistent
graph
• Merge distributed data
into dataframes
• Reshape your tables
into graphs
• Explore graph algorithms
• Build a graph data
pipeline to bring into
native graph
• Bring graph features
back to ML pipeline
Graph Features in Neo4J
24
• Parallel Breadth First Search
• Parallel Depth First Search
• Shortest Path
• Single-Source Shortest Path
• All Pairs Shortest Path
• Minimum Spanning Tree
• A* Shortest Path
• Yen’s K Shortest Path
• K-Spanning Tree (MST)
• Random Walk
• Degree Centrality
• Closeness Centrality
• CC Variations: Harmonic, Dangalchev,
Wasserman & Faust
• Betweenness Centrality
• Approximate Betweenness Centrality
• PageRank
• Personalized PageRank
• ArticleRank
• Eigenvector Centrality
• Triangle Count
• Clustering Coefficients
• Connected Components (Union Find)
• Strongly Connected Components
• Label Propagation
• Louvain Modularity – 1 Step & Multi-Step
• Balanced Triad (identification)
• Euclidean Distance
• Cosine Similarity
• Jaccard Similarity
• Overlap Similarity
• Pearson Similarity
Pathfinding
& Search
Centrality /
Importance
Community
Detection
Similarity
neo4j.com/docs/
graph-algorithms/current/
Link
Prediction
• Adamic Adar
• Common Neighbors
• Preferential Attachment
• Resource Allocations
• Same Community
• Total Neighbors
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Graph Embeddings
Embeddings transform graphs into a vector, or set of vectors,
describing topology, connectivity, or attributes of nodes and
edges in the graph
26
• Vertex embeddings: describe connectivity of each node
• Path embeddings: traversals across the graph
• Graph embeddings: encode an entire graph into a single vector
Graph Embeddings - Recommendations
Explainable Reasoning over Knowledge Graphs for
Recommendation
27
Graph Embeddings - Recommendations
Explainable Reasoning over Knowledge Graphs for
Recommendation
28
Graph Embeddings: Getting Started
29
Graph
Transactions
Graph
Analytics
• Move to Neo4J to build
expert queries and
persist
• Stay tuned for DeepWalk
and DeepGL
• Merge distributed data
into dataframes
• Reshape your tables
into graphs
• Explore graph algorithms
• Build a graph data
pipeline to bring into
native graph
• Bring graph features
back to ML pipeline
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Graph Native Learning
Deep Learning refers to training multi-layer neural
networks using gradient descent
31
Graph Native Learning
Graph Native Learning refers to deep learning models
that take a graph as an input, performs computations,
and returns a graph.
32
Battaglia et al, 2018
Graph Native Learning
Example: electron path prediction Bradshaw et al, 2019
33
Given reactants and reagents, what will the
products be?
Given reactants and reagents, what will the
products be?
Graph Native Learning
Example: electron path prediction
34
35#UnifiedAnalytics #SparkAISummit
Query Based
Knowledge
Graph
Query Based
Feature
Engineering
Graph
Algorithm
Feature
Engineering
Graph
Embeddings
Graph Neural
Networks
Knowledge
Graph
Graph
Feature
Engineering
Graph
Native
Learning
Neo4J for Graph Persistence
Delivery Timeline
Complexity
The Steps of Graph Data Science
Resources
o O’Reilly Graph Algorithms Book
o Neo4j Graph Algorithms Library
o Check out the documentation
o Reach out to us
36#UnifiedAnalytics #SparkAISummit
DON’T FORGET TO RATE
AND REVIEW THE SESSIONS
SEARCH SPARK + AI SUMMIT

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How Graph Technology is Changing AI

  • 1. WIFI SSID:SparkAISummit | Password: UnifiedAnalytics
  • 2. Jake Graham & Alicia Frame, Neo4j How Graph Technology is Changing AI #UnifiedAnalytics #SparkAISummit
  • 3.
  • 4. FinCrime Detection Drug Discovery Recommendations Cybersecurity Predictive Maintenance Customer Segmentation Churn Prediction Search/MDM Where Do Graphs Matter?
  • 5. CAR DRIVES name: “Dan” born: May 29, 1970 twitter: “@dan” name: “Ann” born: Dec 5, 1975 since: Jan 10, 2011 brand: “Volvo” model: “V70” Latitude: 37.5629900° Longitude: -122.3255300° Nodes • Can have Labels to classify nodes • Labels have native indexes Relationships • Relate nodes by type and direction Properties • Attributes of Nodes & Relationships • Stored as Name/Value pairs • Can have indexes and composite indexes MARRIED TO LIVES WITH OW NS PERSON PERSON 5 Labeled Property Graphs
  • 6. Graphs provide more accurate predictions With the data you already have o Current data science models ignore network structure and complex relationships o Graph models add highly predictive features to existing ML models MACHINE LEARNING LIBRARY
  • 7. The idea is that graph networks are bigger than any one machine-learning approach. Graphs bring an ability to generalize about structure that the individual neural nets don't have. Lest you think the authors think they've got it all figured out, the paper lists some lingering shortcomings. Battaglia et al. pose the big question, "Where do the graphs come from that graph networks operate over?”
  • 8. SparkCypher & SparkGraph Neo4j Morpheus Neo4j Graph Platform Cypher 9 in Spark to create non- persistent graphs Cypher 10 over Spark for seamless Neo4j integration Native Graph Algorithms, Processing, and Storage Graph Model Building
  • 9. Explore Graphs Build Graphs o Massively scalable o Powerful data pipelining o Robust ML Libraries o Non-persistent, non-native graphs o Persistent, dynamic graphs o Graph native query and algorithm performance o Constantly growing list of graph algorithms and embeddings in in
  • 10. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 11. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 12. Connecting the Dots at NASA “Using Neo4j someone from our Orion project found information from the Apollo project that prevented an issue, saving well over two years of work and one million dollars of taxpayer funds.” David Meza, Chief Knowledge Architect – NASA 2015
  • 13. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 14. Mining Knowledge Graphs for Drug Discovery • HetioNet is a knowledge graph integrating over 50 years of biomedical data • Leveraged to predict new uses for drugs by using the graph topology to create features to predict new links 14
  • 15. Knowledge Graphs - het.io • HetioNet is a knowledge graph integrating over 50 years of biomedical data • Leveraged to predict new uses for drugs by using the graph topology to create features to predict new links 15
  • 16. Knowledge Graphs - het.io • HetioNet is a knowledge graph integrating over 50 years of biomedical data • Leveraged to predict new uses for drugs by using the graph topology to create features to predict new links 16
  • 17. Knowledge Graphs: getting started 17 Graph Transactions Graph Analytics • Build a graph data pipeline to bring into native graph • Bring graph features back to ML pipeline • Move to Neo4J to build expert queries and persist your graph • Merge distributed data into dataframes • Reshape your tables into graphs • Explore cypher queries SparkCypher & SparkGraph Neo4j Morpheus Neo4j Graph Platform
  • 18. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 19. Graph Feature Engineering 19 MACHINE LEARNING LIBRARY Make use of your existing machine learning pipeline: • Tabular data from Spark • Enriched with graph based features from Neo4j • Combined into a single model building pipeline
  • 20. Categories of Graph Features 20 Pathfinding & Search Centrality / Importance Community Detection Heuristic Link Prediction Finds optimal paths or evaluates route availability and quality Determines the importance of distinct nodes in the network Detects group clustering or partition options Evaluates how alike nodes are Estimates the likelihood of nodes forming a relationship SimilarityEmbeddings Vectors that capture connectivity or topology
  • 21. Financial Crime: Detecting Fraud 21 Many large financial institutions have existing pipelines to identify fraud Graph based features improve accuracy: • Connected components to identify disjoint graphs • PageRank to measure influence • Louvain to identify communities • Jaccard to measure account similarity
  • 22. Financial Crime: Detecting Fraud 22 Many large financial institutions have existing pipelines to identify fraud Graph based features improve accuracy: • Connected components to identify disjoint graphs • PageRank to measure influence • Louvain to identify communities • Jaccard to measure account similarity
  • 23. Graph Feature Engineering: getting started 23 Graph Transactions Graph Analytics • Move to Neo4J to build run native graph algorithms • Write algorithm derived features to persistent graph • Merge distributed data into dataframes • Reshape your tables into graphs • Explore graph algorithms • Build a graph data pipeline to bring into native graph • Bring graph features back to ML pipeline
  • 24. Graph Features in Neo4J 24 • Parallel Breadth First Search • Parallel Depth First Search • Shortest Path • Single-Source Shortest Path • All Pairs Shortest Path • Minimum Spanning Tree • A* Shortest Path • Yen’s K Shortest Path • K-Spanning Tree (MST) • Random Walk • Degree Centrality • Closeness Centrality • CC Variations: Harmonic, Dangalchev, Wasserman & Faust • Betweenness Centrality • Approximate Betweenness Centrality • PageRank • Personalized PageRank • ArticleRank • Eigenvector Centrality • Triangle Count • Clustering Coefficients • Connected Components (Union Find) • Strongly Connected Components • Label Propagation • Louvain Modularity – 1 Step & Multi-Step • Balanced Triad (identification) • Euclidean Distance • Cosine Similarity • Jaccard Similarity • Overlap Similarity • Pearson Similarity Pathfinding & Search Centrality / Importance Community Detection Similarity neo4j.com/docs/ graph-algorithms/current/ Link Prediction • Adamic Adar • Common Neighbors • Preferential Attachment • Resource Allocations • Same Community • Total Neighbors
  • 25. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 26. Graph Embeddings Embeddings transform graphs into a vector, or set of vectors, describing topology, connectivity, or attributes of nodes and edges in the graph 26 • Vertex embeddings: describe connectivity of each node • Path embeddings: traversals across the graph • Graph embeddings: encode an entire graph into a single vector
  • 27. Graph Embeddings - Recommendations Explainable Reasoning over Knowledge Graphs for Recommendation 27
  • 28. Graph Embeddings - Recommendations Explainable Reasoning over Knowledge Graphs for Recommendation 28
  • 29. Graph Embeddings: Getting Started 29 Graph Transactions Graph Analytics • Move to Neo4J to build expert queries and persist • Stay tuned for DeepWalk and DeepGL • Merge distributed data into dataframes • Reshape your tables into graphs • Explore graph algorithms • Build a graph data pipeline to bring into native graph • Bring graph features back to ML pipeline
  • 30. Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 31. Graph Native Learning Deep Learning refers to training multi-layer neural networks using gradient descent 31
  • 32. Graph Native Learning Graph Native Learning refers to deep learning models that take a graph as an input, performs computations, and returns a graph. 32 Battaglia et al, 2018
  • 33. Graph Native Learning Example: electron path prediction Bradshaw et al, 2019 33 Given reactants and reagents, what will the products be? Given reactants and reagents, what will the products be?
  • 34. Graph Native Learning Example: electron path prediction 34
  • 35. 35#UnifiedAnalytics #SparkAISummit Query Based Knowledge Graph Query Based Feature Engineering Graph Algorithm Feature Engineering Graph Embeddings Graph Neural Networks Knowledge Graph Graph Feature Engineering Graph Native Learning Neo4J for Graph Persistence Delivery Timeline Complexity The Steps of Graph Data Science
  • 36. Resources o O’Reilly Graph Algorithms Book o Neo4j Graph Algorithms Library o Check out the documentation o Reach out to us 36#UnifiedAnalytics #SparkAISummit
  • 37. DON’T FORGET TO RATE AND REVIEW THE SESSIONS SEARCH SPARK + AI SUMMIT