IBM Research - Zurich

IBM Research - Zurich

Cognitive Technologies for R&D The Next Horizon

Costas Bekas
Principal RSM
Mgr., Foundations of Cognitive Solutions
IBM Research - Zurich

Success in Petascale computing: BG/Q Results

Implementing Exact-Exchange in CPMD
>99% Parallel Efficiency to over 6.2M threads
Studying Li-Air Batteries, 1736 atoms, 70Ry cuttof

V. Weber, T. Laino, C. Bekas, A. Curioni, A. Bertsch, S. Futral IPDPS 13

2 Source: Top500.org

2015 IBM Corporation

Success in Petascale computing: BG/Q Results

Cloud cavitation collapse
ACM Gordon Bell Prize 2013
14.4 PFLOP/S @73% of peak perf.
13 Trillion elements
6.4 M threads
IBM, ETHZ, TUM, LLNL

2015 IBM Corporation

Success in Petascale computing: BG/Q Results

Mantle Simulations
ACM Gordon Bell Prize 2015
97% of sustained scalability for
a fully implicit solver. 1.6M cores
3.2M MPI processes
IBM, UT Austin, NYU, CALTECH

2015 IBM Corporation

Inescapable trends
Data volumes increase drastically
Applications demand even more complex algorithms

COMP
Cost

DATA
Volume

O(N3)

TB

MB

Knowledge Graph
Creation
Dim. Reduction

O(N2)

HADOOP

GB

Graph Analytics
Clustering

HPC

PB

Uncertainty
Quantification

Information Retrieval
Simple DB
queries

O(N)

TOWARDS COGNITIVE COMPUTING

2015 IBM Corporation

IBM Research - Zurich

Data driven knowledge discovery pipeline

Informa(on
G
A
T
H
E
R

Data
NoSQL
SQL

C
O
N
N
E
C
T

Intelligence

Knowledge

Context

R Decisions
E
A & Ac(ons
S
O
N

A
D
A
P
T

ESB

Gather

Connect

Collect all relevant data

from a variety of sources:
Publications, RSS,
APIs, DBs, etc

Extract features and build

context using multiple
diverse data sources,
new sources added at
run-time: User defined

Reason
Analyze data in context to
uncover hidden information
and find new relationships.
Analytics both add to context
via metadata extraction,
and use context to broader
information exploited

Adapt
Compose recommended
interactions, use context to
deliver to point of action.
suggest material
properties, suggest
simulations

Cognitive Knowledge Discovery System

TEXT/IMAGE
ANALYTICS

standard infrastructure
to handle ingestion,
table narration &
annotation

Watson data extraction

Watson
Core
ingestion
pipeline

Start:
Unstructured
documents

KNOWLEDGE
DISCOVERY

Hand
off

facts &
values
extracted by
annotators

patents,
scientific
papers,
technical
reports
dictionary
, domainspecific
annotator
s

Domain
definition

Knowledge
graph

Discovery
Advisor
&
Graph
Analytics

End:
Domain expert with
Watson user
experience

repository
for
extracted
information

UI, query,
inference
&
discovery

Demo data:
Curated ground truth
8

Sample HAT Annotation

Mentions (highlighted): Words annotated by entity type: sample, form, process, property,
unit, value, subvalue
Relations (arrows): Mentions mapped to one another
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 Keyword to Concept Expansion engine

Based on Word Embeddings
The goal is to project each word in a lower
dimensional space such that:
words referring to similar concepts are close in
space
concepts are captured from syntactic structures
Once the mapping is done, we can exploit it with ML:
kNN to find most similar words in the semantic
space
clustering to cluster words
How can we profit from embeddings?
the idea is to use this clustering as a semantic
blocking scheme learned from the data without
human input
It is language independent
However, this is a very powerful methodology:
Concept expansion: move search beyond string
matching

10

 SimGet: Concept Expansion

Scaleout Service to exploit word embeddings
Motivation:
democratize word embeddings and make them
accessible to multiple apps in
Current status:
support multiple word embedding schemes
enable queries over different datasets
provide interactive response-times
but also high-throughput batch queries (API)
Solution is based on ZRL codebase/ags developed
over the years
Long term goals:
give systems access to vertical knowledge pills

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SimGet: Architecture
Scaleout Service to exploit word embeddings

Basic stand alone service

12

Cognitive Alloy Discovery Experience

Large scale collaborative project between Research & Watson
1 year duration (2014-2015)
Research subject matter expertise key to define project & develop
client relationship
Long term goal:
An Alloy Discovery system that extracts aluminum alloy
information from documents, organizes and manages it,
supports complex queries and applies analytics and inference
Intermediate project goals:
Definition of domain, queries & value
Extraction of composition information from text & tables
Demonstrate support for basic queries
Extraction of properties, processing & form
Definition of knowledge graph
Integrate with Watson Discovery Advisor
Demonstrate complex analytics on alloy data

Research

Watson
Research

New registered aluminum

alloys by year
30
20
10
0
1955

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Watson
Solutions

1965

1975

1985

1995

2005

2015

IBM Research - Zurich

Queries
Sample queries of interest in materials science
l
l
l

Given a set of properties, is there any material that fulfills them?

Given a material, find the "envelope" of its reported properties in the literature?
Given a material with certain properties, find similar materials that are within a
small deviation of these properties (user defined deviation)?
Given a material with an incomplete set of properties, can you predict the
remaining properties?
Give a key property (i.e. TYS, SCC, etc.) and then find and sort materials that
have the best value for this property?
Describe an incomplete process to design a material with certain properties. Which
should be the next steps?
Can you suggest the most widely used processes to get a certain range of
properties?
Can you distinguish the importance of composition v.s. process to get a desired
result? Compare the performance of different processes to get a new material
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IBM Research - Zurich

The Knowledge Graph Data model

These processes create a complex Knowledge Graph that captures all the
knowledge in the text, in the practical experience & from physics/chemistry
principles.
KNOWLEDGE GRAPH
ALLOY NODE TYPE

PROCESS NODE TYPE

PRODUCT NODE TYPE

ELEMENT NODE TYPE

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The Knowledge Graph Data model

Let us consider 2 alloys: Alloy_1, Alloy_2

Can we extract similarities beyond extracted text?

Chemical composition
similarity estimator

ALLOY_1:
Chem. Composition
extracted from text

VALUE

ALLOY_2:
Chem. Composition
Extracted from text

YES

Threshold
NO
CONT.
VALUE

2015 IBM Corporation

1
6

The Knowledge Graph Data model

Let us consider 2 alloys: Alloy_1, Alloy_2 and a Process Proc_1

We conduct text extraction from a set of documents and get the document type
nodes. The document nodes link process Proc_1 to each alloy separately:
PROC_1

ALLOY_1

ALLOY_2

Query: Find all alloys for which Proc_1 is used and certain properties need to hold
for the alloys
Action on graph:
Start from the node Proc_1 and visit its neighbors
Those nodes you find that are of the alloy type that fulfill the user defined
criteria are your answers
2015 IBM Corporation
1
7

IBM Research - Zurich

System Architecture

WDA front end system

Back end system

COMPUTE

GRAPH DB

18

IBM Research - Zurich

Query work flow

TRANSLATE QUERY TO

COMPUTE RANK (IMPORTANCE)

SUBGRAPH SELECTION

OF NODES: NODE CENTRALITIES

VISUALIZE AND EXPLORE

19

IBM Research - Zurich

Birds-eye view of the alloys graph

20

IBM Research - Zurich

Composition Query: Zn-doping (7000 series)

21

IBM Research - Zurich

DEMO
INVERSE MATERIALS DESIGN

22

Inescapable trends
Data volumes increase drastically
Applications demand even more complex algorithms

COMP
Cost

DATA
Volume

O(N3)

TB

MB

Knowledge Graph
Creation
Dim. Reduction

O(N2)

HADOOP

GB

Graph Analytics
Clustering

HPC

PB

Uncertainty
Quantification

Information Retrieval
Simple DB
queries

O(N)

TOWARDS COGNITIVE COMPUTING

2015 IBM Corporation

Transprecision Computing Architecture

24

2015 IBM Corporation

Roadmap
NEW TECH.

100x

POWER8 + K80

SPEEDUP / ENERGY GAINS

TRANSPRECISION COMPUTING
SINGLE-DOUBLE PRECISION
~5 secs

LIBRARIES

POWER8 + ASIC

10x
POWER7 + FPGA

POWER7

POWER7

CUSTOM
STOCHASTIC ARITH. &
DATA MOVEMENT &
STORAGE
Projection: 0.1 sec /
0.001 KJ

50x / 500x
FIXED POINT/8b/16b/32b PREC.
REDUCED DATA ACCURACY
STOCHASTIC DATA TRANSFER
Projection: 0.5-1 sec / 0.05 KJ

FIXED POINT/8b/16b/32b PREC.

REDUCED DATA ACCURACY
SENSOR POWER MEASUR.
10 secs / 0.2 KJ
FPGA: 19 W peak / 15 W idle

TRANSPRECISION COMPUTING
SENSOR POWER MEASUR.
54 secs / 9.6 KJ
170 W peak 140 W idle

BASELINE BLAS3
SINGLE/DOUBLE PREC.
SENSOR POWER MEASUR.
546 secs / 104 KJ
210 W peak / 140 W idle

2011
25

1000x / 2000x

2012

2015

2016/2018

2020+
2015 IBM Corporation

IBM Research

Power Consumption? Power7 system. H/W Power sensors

CHOLESKY
POWER MAX 200Watts

CG
POWER
MAX 179
Watts

2015 IBM Corporation

IBM Research

Can we push for more?

Data Analytics. Working with Covariance matrices. Typically they exhibit a decaying
behavior away from the main diagonal. What if we make it banded? Converges!

2015 IBM Corporation

Costas Bekas. IBM Research - Zurich

IN GENERAL: CONSIDER
LOW PRECISION, LOW COST, LOW POWER: LP
HIGH PRECISION, HIGH POWER: HP
Let SLV(A,y,) be a LP procedure approximating Ax=b
SLV: Analog? Neuromorphic (spikes?), Neural Nets?, Machine Learning?

1.

Compute initial solution: x0=SLV(A,b)

Cost: really low time/power
Compute initial residual: r0 = b - Ax0
Cost: n2
k=0
REPEAT
Solve for residual: dk= SLV(A,rk)
Cost: really low time/power
Update solution: xk+1 = xk + dk
Cost: n
Compute residual: rk+1 = b - Axk+1
Cost: n2
k=k+1
UNTIL ||rk+1|| tol

Key properties:
Overall cost: O(n2), instead of O(n3)
Most of arithmetic is performed on Low Power platform
28

2015 IBM Corporation

IBM Research

Some thoughts on possible low power solutions:

Learning approaches
Machine Learning / Statistical approach
Neural Networks

Neuromorphic approaches
Spike computing to simulate numerics
Hardware approaches

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Accelerators (GPUs)
FPGAs
SPDs
Low reliability hardware (low voltage)

2015 IBM Corporation

IBM Research

Examples...
Learning / stochastic approach: Reduce dimension by random sampling
XDATA DARPA PROJECT (2012-2016)

Analog emulation or inexact

How will we decide which sampling?

- Estimate prion probabilities?
- Compare with similar cases?
- Sparsify full graph? Dynamicaly
- Changing network?
- Learn starting vector?
See recent work by Drineas, Mahoney,
Claskson, Boutsidis and others)

Digital computation: Threshold computing? (inexact bolean algebra)

- Specially designed FPGAs
Spike computing numerical linear algebra: investigation
2015 IBM Corporation

IBM Research - Zurich

Vision: Merging the Big Data approach with the

Rational/Simulation approach

Simulations
Theory
Output
(i.e. new material/
device
process conditions)

Input /
Constraints

Big Data

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