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Michela Paganini (Yale)
Accelerating Science with
Generative Adversarial
Networks
1
NERSC	
  Data	
  Day	
  
September	
  19,	
  2017
The Rise of AI
2
• Deep	
  Learning	
  research	
  has	
  achieved	
  
impressive	
  results	
  both	
  in	
  academic	
  
and	
  industry	
  contexts	
  
Finding	
  extreme	
  weather	
  
events	
  in	
  climate	
  simulations
Classifying	
  new	
  physics	
  events	
  at	
  
the	
  Large	
  Hadron	
  Collider
Computer	
  Vision
Sentiment	
  analysis
Language	
  understanding
• Deep	
  Learning	
  applications	
  have	
  the	
  
potential	
  to	
  revolutionize	
  science
Generative Modeling
3
Build  a  generative  model  with  
probability  distribution
Generative Modeling for Science
4
Why study generative models?
“After	
  all,	
  when	
  applied	
  to	
  images,	
  such	
  models	
  seem	
  to	
  merely	
  provide	
  more	
  images,	
  
and	
  the	
  world	
  has	
  no	
  shortage	
  of	
  images.”
Generative Modeling for Science
4
Why study generative models?
“After	
  all,	
  when	
  applied	
  to	
  images,	
  such	
  models	
  seem	
  to	
  merely	
  provide	
  more	
  images,	
  
and	
  the	
  world	
  has	
  no	
  shortage	
  of	
  images.” except	
  that	
  we	
  do!
ATLAS	
  grid	
  consumption
LSST-­‐DESC	
  cosmological	
  simulation	
  run	
  on	
  16384	
  of	
  Titan's	
  

GPU-­‐enhanced	
  nodes
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
…
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density
…
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density
…
Tractable	
  density
Fully visible belief nets:
NADE
MADE
PixelRNN
Change of variables
models (nonlinear ICA)
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density
…
Tractable	
  density
Fully visible belief nets:
NADE
MADE
PixelRNN
Change of variables
models (nonlinear ICA)
Approximate	
  density
Variational
VAE
Markov	
  Chain
Boltzmann machine
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density Implicit	
  density
…
Tractable	
  density
Fully visible belief nets:
NADE
MADE
PixelRNN
Change of variables
models (nonlinear ICA)
Approximate	
  density
Variational
VAE
Markov	
  Chain
Boltzmann machine
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density Implicit	
  density
…
Tractable	
  density
Fully visible belief nets:
NADE
MADE
PixelRNN
Change of variables
models (nonlinear ICA)
Approximate	
  density
Variational
VAE
Markov	
  Chain
Boltzmann machine
Markov	
  Chain
Direct
GSN
GAN
Taxonomy of Generative Models
5
From	
  I.	
  Goodfellow
Maximum	
  Likelihood
Explicit	
  density Implicit	
  density
…
Tractable	
  density
Fully visible belief nets:
NADE
MADE
PixelRNN
Change of variables
models (nonlinear ICA)
Approximate	
  density
Variational
VAE
Markov	
  Chain
Boltzmann machine
Markov	
  Chain
Direct
GSN
GAN
Generative Adversarial Networks
6
Generative Adversarial Networks
6
From	
  M.	
  Mustafa
CaloGAN
7
• Fast	
  &	
  accurate	
  simulation	
  of	
  calorimeter	
  showers	
  in	
  a	
  
three-­‐layer	
  heterogeneously	
  segmented	
  	
  LAr+lead	
  detector	
  
• Ad-­‐hoc	
  design	
  to	
  fit	
  Physics	
  data:	
  
• sparsity	
  
• high	
  dynamic	
  range	
  
• highly	
  location-­‐dependent

features	
  
• Soon	
  to	
  be	
  integrated	
  in	
  Geant
(Paganini	
  et	
  al.,	
  arXiv:1705.02355)
3x96
12x12
12x6
CaloGAN
8
Energy
(Paganini	
  et	
  al.,	
  arXiv:1705.02355)
Average	
  energy	
  deposition	
  per	
  calorimeter	
  layer	
  in	
  the	
  GEANT4	
  
training	
  dataset	
  (top)	
  and	
  in	
  the	
  GAN	
  generated	
  dataset	
  (bottom)
Ten	
  positron	
  showers	
  generated	
  by	
  varying	
  shower	
  energy	
  in	
  equal	
  intervals	
  while	
  
holding	
  all	
  other	
  latent	
  codes	
  fixed.	
  The	
  three	
  rows	
  are	
  the	
  shower	
  
representations	
  in	
  the	
  three	
  calorimeter	
  layers.	
  The	
  energies	
  of	
  showers	
  in	
  the	
  
green	
  box	
  were	
  within	
  the	
  range	
  of	
  the	
  training	
  dataset,	
  while	
  the	
  ones	
  in	
  the	
  red	
  
box	
  are	
  in	
  the	
  extrapolation	
  regime.	
  	
  
• Realistic	
  average	
  and	
  individual	
  images	
  
• Diverse	
  samples
• Conditional	
  generation	
  based	
  on	
  physical	
  
attributes	
  	
  
• Parameter	
  interpolation	
  and	
  extrapolation
CosmoGAN
9
• Generate	
  convergence	
  maps	
  of	
  a	
  
particular	
  ΛCDM	
  model	
  
• Match	
  summary	
  statistics	
  of	
  
training	
  dataset:	
  
• 1st	
  order	
  statistic	
  (pixel	
  
intensity)	
  
• 2nd	
  order	
  correlations	
  
• measurement	
  of	
  the	
  non-­‐
Gaussian	
  corrections
(Mustafa	
  et	
  al.,	
  arXiv:1706.02390)
Conclusions & Outlook
10
• GANs:	
  promising	
  technology	
  to	
  accelerate	
  scientific	
  simulation	
  
• Potential	
  to	
  save	
  millions	
  of	
  CPU	
  hours	
  and	
  dollars	
  
• In	
  scientific	
  applications:	
  
• Unique	
  considerations	
  and	
  constraints	
  	
  
• Unique	
  evaluation	
  methods	
  for	
  generative	
  models	
  
• Outstanding	
  challenges	
  require	
  continued	
  R&D	
  to	
  meet	
  fidelity	
  demands
Thanks!
11

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Accelerating Science with Generative Adversarial Networks

  • 1. Michela Paganini (Yale) Accelerating Science with Generative Adversarial Networks 1 NERSC  Data  Day   September  19,  2017
  • 2. The Rise of AI 2 • Deep  Learning  research  has  achieved   impressive  results  both  in  academic   and  industry  contexts   Finding  extreme  weather   events  in  climate  simulations Classifying  new  physics  events  at   the  Large  Hadron  Collider Computer  Vision Sentiment  analysis Language  understanding • Deep  Learning  applications  have  the   potential  to  revolutionize  science
  • 3. Generative Modeling 3 Build  a  generative  model  with   probability  distribution
  • 4. Generative Modeling for Science 4 Why study generative models? “After  all,  when  applied  to  images,  such  models  seem  to  merely  provide  more  images,   and  the  world  has  no  shortage  of  images.”
  • 5. Generative Modeling for Science 4 Why study generative models? “After  all,  when  applied  to  images,  such  models  seem  to  merely  provide  more  images,   and  the  world  has  no  shortage  of  images.” except  that  we  do! ATLAS  grid  consumption LSST-­‐DESC  cosmological  simulation  run  on  16384  of  Titan's  
 GPU-­‐enhanced  nodes
  • 6. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood …
  • 7. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density …
  • 8. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density … Tractable  density Fully visible belief nets: NADE MADE PixelRNN Change of variables models (nonlinear ICA)
  • 9. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density … Tractable  density Fully visible belief nets: NADE MADE PixelRNN Change of variables models (nonlinear ICA) Approximate  density Variational VAE Markov  Chain Boltzmann machine
  • 10. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density Implicit  density … Tractable  density Fully visible belief nets: NADE MADE PixelRNN Change of variables models (nonlinear ICA) Approximate  density Variational VAE Markov  Chain Boltzmann machine
  • 11. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density Implicit  density … Tractable  density Fully visible belief nets: NADE MADE PixelRNN Change of variables models (nonlinear ICA) Approximate  density Variational VAE Markov  Chain Boltzmann machine Markov  Chain Direct GSN GAN
  • 12. Taxonomy of Generative Models 5 From  I.  Goodfellow Maximum  Likelihood Explicit  density Implicit  density … Tractable  density Fully visible belief nets: NADE MADE PixelRNN Change of variables models (nonlinear ICA) Approximate  density Variational VAE Markov  Chain Boltzmann machine Markov  Chain Direct GSN GAN
  • 15. CaloGAN 7 • Fast  &  accurate  simulation  of  calorimeter  showers  in  a   three-­‐layer  heterogeneously  segmented    LAr+lead  detector   • Ad-­‐hoc  design  to  fit  Physics  data:   • sparsity   • high  dynamic  range   • highly  location-­‐dependent
 features   • Soon  to  be  integrated  in  Geant (Paganini  et  al.,  arXiv:1705.02355) 3x96 12x12 12x6
  • 16. CaloGAN 8 Energy (Paganini  et  al.,  arXiv:1705.02355) Average  energy  deposition  per  calorimeter  layer  in  the  GEANT4   training  dataset  (top)  and  in  the  GAN  generated  dataset  (bottom) Ten  positron  showers  generated  by  varying  shower  energy  in  equal  intervals  while   holding  all  other  latent  codes  fixed.  The  three  rows  are  the  shower   representations  in  the  three  calorimeter  layers.  The  energies  of  showers  in  the   green  box  were  within  the  range  of  the  training  dataset,  while  the  ones  in  the  red   box  are  in  the  extrapolation  regime.     • Realistic  average  and  individual  images   • Diverse  samples • Conditional  generation  based  on  physical   attributes     • Parameter  interpolation  and  extrapolation
  • 17. CosmoGAN 9 • Generate  convergence  maps  of  a   particular  ΛCDM  model   • Match  summary  statistics  of   training  dataset:   • 1st  order  statistic  (pixel   intensity)   • 2nd  order  correlations   • measurement  of  the  non-­‐ Gaussian  corrections (Mustafa  et  al.,  arXiv:1706.02390)
  • 18. Conclusions & Outlook 10 • GANs:  promising  technology  to  accelerate  scientific  simulation   • Potential  to  save  millions  of  CPU  hours  and  dollars   • In  scientific  applications:   • Unique  considerations  and  constraints     • Unique  evaluation  methods  for  generative  models   • Outstanding  challenges  require  continued  R&D  to  meet  fidelity  demands