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Innovative Use Cases of HPC in the Cloud,
featuring AI, CFD and Life Sciences
Ebru Taylak
HPC Advisory Council – Stanford Conference
Stanford University, February 2019
Ingredients for Innovation through CAE
UberCloud Experiments
With the mission to make HPC a reality for
every engineer:
 200+ cloud experiments conducted
 Scientists, Engineers, Software Vendors,
Cloud Providers joined
 Based on the findings, UberCloud
Containers for CAE have been developed
Sponsors
UberCloud Experiments
Innovation & Use Case Awards
UberCloud Containers
Accessibility
Portability
Usability
Packagability
UberCloud Containers – Based on Docker with
additional HPC features and tools.
UberCloud Container Experience
Featured Use Cases
 Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
 Cloud Simulation of Neuromodulation in Schizophrenia
Background:
 Fluid flow problems using Computational Fluid Dynamics (CFD)
require large computer processing power and simulation duration
 As an alternative to CFD simulations, a study has been conducted
to predict fluid flow around a given object using Artificial
Intelligence
Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
Objective:
 Decrease time-to-solution while preserving the accuracy of a
traditional CFD solver
Challenge:
 Large amount of data samples were needed for ANN learn the
dependencies between simulated design and flow field around it in
order to accurately predict flow behavior
simulation set up
Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
Deep Learning Workflow
Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
HPC Simulation and Results
*
**
Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
Training Data Generation and ANN Training
Time for 10000 simulations - local 13 h 10m
Time for 10000 simulations - cloud 2h 4m
Time for training 23.7h
Neural Network Prediction of Flow Field vs CFD simulation
Avg. Time for CFD solver - local 4.7s
Avg. Time for CFD solver - cloud 0.74s
Time of neural network prediction 3ms
Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
Simulated Flow Field vs Predicted Flow Field
Exemplary simulated flow field (left image) and predicted flow field (right image)
 Training of neural network was much faster using large dataset of samples
 Higher accuracy was obtained through large dataset of samples
 Overhead of creating high volume of samples can be easily compensated through HPC
Cloud
Cloud Simulation of Neuromodulation in Schizophrenia
Background:
 Schizophrenia currently affects 1% of World’s population
 Treatment includes drugs, therapy, and deep brain
stimulation (DBS) through surgery
 Transcranial Direct Current Stimulation (tDCS) is a new form of
non-invasive neurostimulation involves the injection of a weak
electrical current to the head through surface electrodes to
generate an electric field that selectively modulates the activity
of neurons
 tDCS requires to be personalized depending on individual’s
brain morphology and skull architectureIllustration of transcranial Direct
Current stimulation device
Illustration of DBS through
surgery
Cloud Simulation of Neuromodulation in Schizophrenia
Objective:
 Develop a method for the clinician to access in real time and
reduce overall computational effort - where doctors can choose
two pre-computed electrical fields of an electrode pair to
stimulate specific regions of the brain
Challenge:
 Since each patient’s brain can be vastly different, an optimal
electrode placement needs to be identified on the scalp in
order to create the desired stimulation at specific regions of the
brain for an effective outcome
Cloud Simulation of Neuromodulation in Schizophrenia
Workflow for Virtual Deep Brain Stimulation
MRI Scan
FEM:
Computational
Model
Electrode
Placement
Choose Two
Electrode Pairs
Temporal
Interference
electrode placement chart
Localization of the peak Electrical Potential Gradient value in Abaqus for different
combinations of electrodes.
 26 simulations in the cloud– each representing a
different electrode configuration
 Simulation models contain 1.8M finite elements
 Single run on a local cluster with 16 cores, took about
75 minutes, compared to 28 minutes on 24 cores
HPC Cloud Cluster
 Running all 26 simulations in parallel brings overall
simulation time down from 33 hours to 28 minutes –
speed up factor of 70!
 Results are promising, however, there is still a lot of
work to be done in collaboration with the
Doctors/Clinicians at NIMHANS and other
Neurological Research Centers on how this method
can be appraised and fine-tuned for real time clinical
use
Cloud Simulation of Neuromodulation in Schizophrenia
HPC Simulation and Results
Take Aways
UberCloud CAE Containers provide engineers and scientists:
• A seamless way to run and manage the most complex engineering
workflows in the cloud
• Desktop like user experience with no new tools to learn
• The necessary boost in their simulation performance enabling innovation

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Innovative Use of HPC in the Cloud for AI, CFD & LifeScience

  • 1. Innovative Use Cases of HPC in the Cloud, featuring AI, CFD and Life Sciences Ebru Taylak HPC Advisory Council – Stanford Conference Stanford University, February 2019
  • 3. UberCloud Experiments With the mission to make HPC a reality for every engineer:  200+ cloud experiments conducted  Scientists, Engineers, Software Vendors, Cloud Providers joined  Based on the findings, UberCloud Containers for CAE have been developed Sponsors UberCloud Experiments Innovation & Use Case Awards
  • 4. UberCloud Containers Accessibility Portability Usability Packagability UberCloud Containers – Based on Docker with additional HPC features and tools.
  • 6. Featured Use Cases  Cloud Simulations enabling Deep Learning for Fluid Flow Prediction  Cloud Simulation of Neuromodulation in Schizophrenia
  • 7. Background:  Fluid flow problems using Computational Fluid Dynamics (CFD) require large computer processing power and simulation duration  As an alternative to CFD simulations, a study has been conducted to predict fluid flow around a given object using Artificial Intelligence Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
  • 8. Objective:  Decrease time-to-solution while preserving the accuracy of a traditional CFD solver Challenge:  Large amount of data samples were needed for ANN learn the dependencies between simulated design and flow field around it in order to accurately predict flow behavior simulation set up Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
  • 9. Deep Learning Workflow Cloud Simulations enabling Deep Learning for Fluid Flow Prediction
  • 10. HPC Simulation and Results * ** Cloud Simulations enabling Deep Learning for Fluid Flow Prediction Training Data Generation and ANN Training Time for 10000 simulations - local 13 h 10m Time for 10000 simulations - cloud 2h 4m Time for training 23.7h Neural Network Prediction of Flow Field vs CFD simulation Avg. Time for CFD solver - local 4.7s Avg. Time for CFD solver - cloud 0.74s Time of neural network prediction 3ms
  • 11. Cloud Simulations enabling Deep Learning for Fluid Flow Prediction Simulated Flow Field vs Predicted Flow Field Exemplary simulated flow field (left image) and predicted flow field (right image)  Training of neural network was much faster using large dataset of samples  Higher accuracy was obtained through large dataset of samples  Overhead of creating high volume of samples can be easily compensated through HPC Cloud
  • 12. Cloud Simulation of Neuromodulation in Schizophrenia Background:  Schizophrenia currently affects 1% of World’s population  Treatment includes drugs, therapy, and deep brain stimulation (DBS) through surgery  Transcranial Direct Current Stimulation (tDCS) is a new form of non-invasive neurostimulation involves the injection of a weak electrical current to the head through surface electrodes to generate an electric field that selectively modulates the activity of neurons  tDCS requires to be personalized depending on individual’s brain morphology and skull architectureIllustration of transcranial Direct Current stimulation device Illustration of DBS through surgery
  • 13. Cloud Simulation of Neuromodulation in Schizophrenia Objective:  Develop a method for the clinician to access in real time and reduce overall computational effort - where doctors can choose two pre-computed electrical fields of an electrode pair to stimulate specific regions of the brain Challenge:  Since each patient’s brain can be vastly different, an optimal electrode placement needs to be identified on the scalp in order to create the desired stimulation at specific regions of the brain for an effective outcome
  • 14. Cloud Simulation of Neuromodulation in Schizophrenia Workflow for Virtual Deep Brain Stimulation MRI Scan FEM: Computational Model Electrode Placement Choose Two Electrode Pairs Temporal Interference electrode placement chart
  • 15. Localization of the peak Electrical Potential Gradient value in Abaqus for different combinations of electrodes.  26 simulations in the cloud– each representing a different electrode configuration  Simulation models contain 1.8M finite elements  Single run on a local cluster with 16 cores, took about 75 minutes, compared to 28 minutes on 24 cores HPC Cloud Cluster  Running all 26 simulations in parallel brings overall simulation time down from 33 hours to 28 minutes – speed up factor of 70!  Results are promising, however, there is still a lot of work to be done in collaboration with the Doctors/Clinicians at NIMHANS and other Neurological Research Centers on how this method can be appraised and fine-tuned for real time clinical use Cloud Simulation of Neuromodulation in Schizophrenia HPC Simulation and Results
  • 16. Take Aways UberCloud CAE Containers provide engineers and scientists: • A seamless way to run and manage the most complex engineering workflows in the cloud • Desktop like user experience with no new tools to learn • The necessary boost in their simulation performance enabling innovation