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High-Throughput
Scientific Computing
        Hanspeter Pfister
    pfister@seas.harvard.edu
Themes
• How is the brain wired?
• How did the Universe start?
How is the brain wired?
      The Connectome Project
Connectome Team
• Harvard Center for Brain Science
  – Jeff Lichtman & Clay Reid
• Microsoft Research / UW
  – Michael Cohen
• Kitware Inc.
  – Will Schroeder, Charles Law, Rusty Blue
• VRVis Vienna
  – Markus Hadwiger, Johanna Beyer
• IIC
  – Amelio Vazquez, Eric Miller (Tufts)
  – Won-Ki Seung, Hanspeter Pfister
The Scientific Challenge




                      composite from Roe et al. 1989,
                    Sutton and Brunso-Bechtold 1991
Confocal Microscopy:
             Brainbow




Adapted from OlympusConfocal.com
Electron Microscopy:
      ATLUM
Serial Sectioning
                  y
    x


z



    .
    .
    .                                          Section i, i   (1, …,N)
        Adapted from http://parasol.tamu.edu
              Texas A&M University
40,000x40,000 pixels
          1.6 GB
  120x120 µm (3 nm/pixel)


Here shown 40x undersampled




                              6 15mu EM big view
5 8mu rlp
4 3mu rlp
3 1mu rlp
2 300 nm rlp
The Data Challenge
• 1 mm3           ~= mouse thalamus ~= 1 petabyte
• 1 cm            ~= mouse brain               ~= 1 exabyte
        3


• 1000 cm         ~= human brain               ~= 1 zettabyte
              3



  All of Google’s world-wide storage today ~= 1 exabyte
Addressing the Data
     Challenge
• Multi-Scale Imaging
• Hierarchical Data Representation
• Distributed Heterogeneous Computing
 • Visualization
 • Segmentation
 • Analysis
Addressing the Data
     Challenge
• Multi-Scale Imaging
• Hierarchical Data Representation
• Distributed Heterogeneous Computing
 • Visualization
 • Segmentation
 • Analysis
Direct Volume Rendering




              MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Ray Casting
• Image-order ray shooting
 • Interpolate
 • Assign color & opacity
 • Composite
• Simple to implement
• Very flexible
  (adaptive sampling, …)
• Correct perspective




                            MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Transfer Functions
• Mapping of density to optical properties
• Simplest: color table with opacity over density




                           MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Connectome: EM Data




             MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Single-Pass Ray Casting
• Enabled by conditional loops
• Substitute multiple passes with single loop and early
  loop exit


• Volume rendering example
  in NVIDIA CUDA SDK
  (procedural ray setup)




                           MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Basic Ray Setup / Termination
• Two main approaches:

 • Procedural ray/box intersection
  [Röttger et al., 2003], [Green, 2004]

 • Rasterize bounding box
  [Krüger and Westermann, 2003]




                               MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Procedural Ray Setup / Term.
• Procedural ray / box intersection
  • Everything handled in
    fragment shader

• Ray given by camera position
  and volume entry position
• Exit criterion needed


• Pro: simple and self-contained
• Con: full load on fragment shader



                            MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
quot;Image-Basedquot; Ray Setup / Term.
• Rasterize bounding box
  front faces and back faces

• Ray start positions:
  front faces
• Direction vectors:
  back faces − front faces


         -           =

• Independent of projection (orthogonal/perspective)

                             MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Kernel
•   Image-based
    ray setup
    •   Ray start image
    •   Direction image




•   Ray-cast loop
    •   Sample volume
    •   Accumulate
        color and opacity




•   Terminate

•   Store output




                            MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Standard Ray Casting Optim. (1)
Early ray termination
  • Isosurfaces:
    stop when surface hit
  • Direct volume rendering:
    stop when opacity >= threshold

• Several possibilities
  • Current GPUs: early loop exit works well




                           MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Standard Ray Casting Optim. (2)
Empty space skipping
  • Skip transparent samples
  • Depends on transfer function
  • Start casting close to first hit

• Several possibilities
  • Per-sample check of opacity (expensive)
  • Hierarchical data store (e.g., octree with stack-less
    traversal [Gobbetti et al., 2008] )

  • These are image-order:
    what about object-order?


                            MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Object-Order Empty Space Skip. (1)
• Modify initial rasterization step




rasterize bounding box   rasterize “tightquot; bounding geometry
                            MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Object-Order Empty Space Skip. (2)
• Store min-max values of volume blocks
• Cull blocks against transfer function or isovalue
• Rasterize front and back faces of active blocks




                           MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Connectome: Fluorescence Data




              MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Connectome: Implicit Surfaces




              MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
Addressing the Data
     Challenge
• Multi-Scale Imaging
• Hierarchical Data Representation
• Distributed Heterogeneous Computing
 • Visualization
 • Segmentation
 • Analysis
Active Ribbons
Active Ribbon:
A set of two non-intersecting and
coupled Active Contours

Active Contour: 
Deformable closed curve that can be
used to segment objects in an image
                                      Outer Active Inner Active
                                                     Contour
                                       Contour

                                          Active Ribbon
Results (Matlab)
Axon Segmentation
Interactive Analysis
How did the Universe
       start?
                  The MWA Project

Kevin Dale, Richard Edgar, Daniel Mitchell, Randall Wayth,
       Lincoln Greenhill, and Hanspeter Pfister
MWA CfA / IIC Team
• Harvard Center for Astrophysics /
  Smithsonian Astrophysical
  Observatory
  –   Lincoln Greenhill
  –   Daniel Mitchell
  –   Randall Wayth
  –   Stephen Ord
• IIC / SEAS
  – Richard Edgar
  – Kevin Dale, Hanspeter Pfister
The Scientific Goals
• Epoch of Re-                       ionized

  Inonisation (EOR)                  neutral


• Heliospheric and
                                      (H)




                         The “Gap”
  Ionospheric
• Transient detection
• Pulsars, Surveys,
  Interstellar Medium,               ionized


  Galactic Magnetic
  Field, …
The Murchison Widefield Array (MWA)



•   Located in the remote Australian
    outback
•   Extremely wide fields of view for radio
    astronomy in the 80-300 MHz band
•   512 tiles, each a 4x4 array of dipoles,
    scattered over ~ 1.5 km
•   Data center for real-time processing
    co-located with the array


                                           http://www.haystack.mit.edu/ast/arrays/mwa/index.html
© Murchison Wide-field Array Project
(MIT/Harvard/Smithsonian/ANU/Curtin U./U.Melb./UWA/CSIRO)
© Murchison Wide-field Array Project
(MIT/Harvard/Smithsonian/ANU/Curtin U./U.Melb./UWA/CSIRO)
Calibration


                                  Ionospheric offsets




  Ungridded
visibilities with
bright sources
    peeled
                                                        Imaging
The Data Rate
                     Challenge
             ent
v. p             ang
     arall             led               Calibration Loop
          el c
               om
                   put
                         atio
                              n

              FFT
              Averaging ( !)
              Gridding
              Vector Rotation              Mapping
                                    (1) GB/s
16 GB/s
                                                            Science
                                  8s cadence
0.5s cadence
Implementation
•   Hardware

    •   2.4 GHz dual-core AMD Opteron, 4GB RAM

    •   NVIDIA Quadro FX 5600

•   Software

    •   AMD Core Math Library (ACML)

    •   NVIDIA CUDA (CUBLAS, CUFFT)

    •   OpenGL
Single-GPU Speedup
                                           CPUGPU speedup
                                                               Image Formation
                           Imaging


Mostly OpenGL            Gridding *


              UnpeelTileResponse

                                                               Calibration Loop
                 PeelTileResponse


                ReRotateVisibilities


             MeasureTileResponse


         MeasureIonosphericOffset


    RotateAndAccumulateVisibilities


                                       0   10   20   30   40    50   60   70
Example Results
      •   Noisy images from test data




GPU                               Reference
Scaling to a Cluster
• 1000 frequency channels, 65 sources every
  8 seconds, and 16002 output image
• 20-40 frequencies / GPU
• 32-64 GPUs, i.e., 16 Tesla S1070s
• Need MPI for internal data transfer
Conclusions
• GPUs enable high-throughput scientific
  computing
• Performance gains of 10-100x
• CUDA makes life easier (but not perfect)
• Rasterization / OpenGL still useful
• Need CUDA MPI for clusters

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IAP09 CUDA@MIT 6.963 - Lecture 01: High-Throughput Scientific Computing (Hanspeter Pfister, Harvard)

  • 1. High-Throughput Scientific Computing Hanspeter Pfister pfister@seas.harvard.edu
  • 2. Themes • How is the brain wired? • How did the Universe start?
  • 3. How is the brain wired? The Connectome Project
  • 4. Connectome Team • Harvard Center for Brain Science – Jeff Lichtman & Clay Reid • Microsoft Research / UW – Michael Cohen • Kitware Inc. – Will Schroeder, Charles Law, Rusty Blue • VRVis Vienna – Markus Hadwiger, Johanna Beyer • IIC – Amelio Vazquez, Eric Miller (Tufts) – Won-Ki Seung, Hanspeter Pfister
  • 5. The Scientific Challenge composite from Roe et al. 1989, Sutton and Brunso-Bechtold 1991
  • 6. Confocal Microscopy: Brainbow Adapted from OlympusConfocal.com
  • 8. Serial Sectioning y x z . . . Section i, i (1, …,N) Adapted from http://parasol.tamu.edu Texas A&M University
  • 9. 40,000x40,000 pixels 1.6 GB 120x120 µm (3 nm/pixel) Here shown 40x undersampled 6 15mu EM big view
  • 13. 2 300 nm rlp
  • 14. The Data Challenge • 1 mm3 ~= mouse thalamus ~= 1 petabyte • 1 cm ~= mouse brain ~= 1 exabyte 3 • 1000 cm ~= human brain ~= 1 zettabyte 3 All of Google’s world-wide storage today ~= 1 exabyte
  • 15. Addressing the Data Challenge • Multi-Scale Imaging • Hierarchical Data Representation • Distributed Heterogeneous Computing • Visualization • Segmentation • Analysis
  • 16. Addressing the Data Challenge • Multi-Scale Imaging • Hierarchical Data Representation • Distributed Heterogeneous Computing • Visualization • Segmentation • Analysis
  • 17. Direct Volume Rendering MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 18. Ray Casting • Image-order ray shooting • Interpolate • Assign color & opacity • Composite • Simple to implement • Very flexible (adaptive sampling, …) • Correct perspective MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 19. Transfer Functions • Mapping of density to optical properties • Simplest: color table with opacity over density MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 20. Connectome: EM Data MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 21. Single-Pass Ray Casting • Enabled by conditional loops • Substitute multiple passes with single loop and early loop exit • Volume rendering example in NVIDIA CUDA SDK (procedural ray setup) MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 22. Basic Ray Setup / Termination • Two main approaches: • Procedural ray/box intersection [Röttger et al., 2003], [Green, 2004] • Rasterize bounding box [Krüger and Westermann, 2003] MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 23. Procedural Ray Setup / Term. • Procedural ray / box intersection • Everything handled in fragment shader • Ray given by camera position and volume entry position • Exit criterion needed • Pro: simple and self-contained • Con: full load on fragment shader MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 24. quot;Image-Basedquot; Ray Setup / Term. • Rasterize bounding box front faces and back faces • Ray start positions: front faces • Direction vectors: back faces − front faces - = • Independent of projection (orthogonal/perspective) MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 25. Kernel • Image-based ray setup • Ray start image • Direction image • Ray-cast loop • Sample volume • Accumulate color and opacity • Terminate • Store output MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 26. Standard Ray Casting Optim. (1) Early ray termination • Isosurfaces: stop when surface hit • Direct volume rendering: stop when opacity >= threshold • Several possibilities • Current GPUs: early loop exit works well MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 27. Standard Ray Casting Optim. (2) Empty space skipping • Skip transparent samples • Depends on transfer function • Start casting close to first hit • Several possibilities • Per-sample check of opacity (expensive) • Hierarchical data store (e.g., octree with stack-less traversal [Gobbetti et al., 2008] ) • These are image-order: what about object-order? MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 28. Object-Order Empty Space Skip. (1) • Modify initial rasterization step rasterize bounding box rasterize “tightquot; bounding geometry MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 29. Object-Order Empty Space Skip. (2) • Store min-max values of volume blocks • Cull blocks against transfer function or isovalue • Rasterize front and back faces of active blocks MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 30. Connectome: Fluorescence Data MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 31. Connectome: Implicit Surfaces MARKUS HADWIGER, VRVIS RESEARCH CENTER, VIENNA, AUSTRIA
  • 32. Addressing the Data Challenge • Multi-Scale Imaging • Hierarchical Data Representation • Distributed Heterogeneous Computing • Visualization • Segmentation • Analysis
  • 33. Active Ribbons Active Ribbon: A set of two non-intersecting and coupled Active Contours Active Contour: Deformable closed curve that can be used to segment objects in an image Outer Active Inner Active Contour Contour Active Ribbon
  • 37. How did the Universe start? The MWA Project Kevin Dale, Richard Edgar, Daniel Mitchell, Randall Wayth, Lincoln Greenhill, and Hanspeter Pfister
  • 38. MWA CfA / IIC Team • Harvard Center for Astrophysics / Smithsonian Astrophysical Observatory – Lincoln Greenhill – Daniel Mitchell – Randall Wayth – Stephen Ord • IIC / SEAS – Richard Edgar – Kevin Dale, Hanspeter Pfister
  • 39. The Scientific Goals • Epoch of Re- ionized Inonisation (EOR) neutral • Heliospheric and (H) The “Gap” Ionospheric • Transient detection • Pulsars, Surveys, Interstellar Medium, ionized Galactic Magnetic Field, …
  • 40. The Murchison Widefield Array (MWA) • Located in the remote Australian outback • Extremely wide fields of view for radio astronomy in the 80-300 MHz band • 512 tiles, each a 4x4 array of dipoles, scattered over ~ 1.5 km • Data center for real-time processing co-located with the array http://www.haystack.mit.edu/ast/arrays/mwa/index.html
  • 41. © Murchison Wide-field Array Project (MIT/Harvard/Smithsonian/ANU/Curtin U./U.Melb./UWA/CSIRO)
  • 42. © Murchison Wide-field Array Project (MIT/Harvard/Smithsonian/ANU/Curtin U./U.Melb./UWA/CSIRO)
  • 43.
  • 44. Calibration Ionospheric offsets Ungridded visibilities with bright sources peeled Imaging
  • 45. The Data Rate Challenge ent v. p ang arall led Calibration Loop el c om put atio n FFT Averaging ( !) Gridding Vector Rotation Mapping (1) GB/s 16 GB/s Science 8s cadence 0.5s cadence
  • 46. Implementation • Hardware • 2.4 GHz dual-core AMD Opteron, 4GB RAM • NVIDIA Quadro FX 5600 • Software • AMD Core Math Library (ACML) • NVIDIA CUDA (CUBLAS, CUFFT) • OpenGL
  • 47. Single-GPU Speedup CPUGPU speedup Image Formation Imaging Mostly OpenGL Gridding * UnpeelTileResponse Calibration Loop PeelTileResponse ReRotateVisibilities MeasureTileResponse MeasureIonosphericOffset RotateAndAccumulateVisibilities 0 10 20 30 40 50 60 70
  • 48. Example Results • Noisy images from test data GPU Reference
  • 49. Scaling to a Cluster • 1000 frequency channels, 65 sources every 8 seconds, and 16002 output image • 20-40 frequencies / GPU • 32-64 GPUs, i.e., 16 Tesla S1070s • Need MPI for internal data transfer
  • 50. Conclusions • GPUs enable high-throughput scientific computing • Performance gains of 10-100x • CUDA makes life easier (but not perfect) • Rasterization / OpenGL still useful • Need CUDA MPI for clusters