Data-Intensive Computing and AI/ML Applications at Scale

Name: Data-Intensive Computing and AI/ML Applications at Scale
Start: 2023-08-17T09:00:00-05:00
End: 2023-08-17T13:55:00-05:00
Location: Building 240

Thursday Aug 17, 2023, 9:00 AM → 1:55 PM America/Chicago

Room 1501 (Building 240)

Room 1501

Building 240

Description

With Aurora to enter production in the coming months, a new era of computing will dawn at Argonne. Not only is Aurora one of the world's largest supercomputers, it is also designed to support three overlapping activities -- traditional high-performance computing, data-intensive problems, and large-scale AI/ML applications. This meeting will bring together researchers working primarily on the last two topics. The aim is to understand the current scope of activities, the nature of hardware/software challenges going forward, and how to overcome them via collaborative approaches. Additionally, the meeting will also be useful in capturing the status of the current software suite, data-intensive application support services, and what may be required by applications in the future.

Registration

Participants

Aditya Tanikanti
Adrian Pope
Alessandro Lovato
Alvaro Vazquez Mayagoitia
Amal Gueroudji
Anouar Benali
Archit Vasan
Azton Wells
Benjamin Gutierrez-Garcia
Bethany Lusch
Christine Simpson
Corey Adams
filippo simini
Huihuo Zheng
James Osborn
JD Emberson
Kalyan Kumaran
Krishna Teja Chitty-Venkata
Kyle Felker
Mark Dewing
Marta Garcia Martinez
Murat Keceli
Nesar Ramachandra
Nicholas Frontiere
Patricia Larsen
Peter vanGemmeren
Ray Bair
Riccardo Balin
Salman Habib
Sam Foreman
Saumil Patel
Shivam Barwey
Taylor Childers
Thomas Uram
Tim Williams
Varuni Katti Sastry
Venkatram Vishwanath
wei jiang
Xiao-Yong Jin
Ye Luo
Yuri Alexeev

- 1
  
  Informal Introductions/Registration
- 2
  
  Introduction
  
  Speakers: Salman Habib (CPS), Venkatram Vishwanath (LCF)
  
  ALCF_CPS_data_2023_meeting.pptx
- 3
  
  AI for Chemistry and Materials
  
  Speaker: Alvaro Vazquez Mayagoitia (CPS)
  
  Alvaro_chemmat.pdf
- 4
  
  Toward DMC Accuracy Across Chemical Space with Scalable Δ-QML
  
  Speaker: Anouar Benali (CPS)
  
  QMC_2023_ML_2_Slides_Benali.pdf
- 5
  
  Data Management, I/O, and scaling for AI
  
  Speaker: Huihuo Zheng (LCF)
  
  data_io_scaling_DL_Zheng.pdf
  
  data_io_scaling_DL_Zheng.pptx
- 6
  
  Scientifically motivated LLM methods
  
  Speaker: Azton Wells (CPS)
  
  AztonWells-CPS-ALCF_workshop-17-08-23.pdf
- 7
  
  Intro to Taylor
  
  Speaker: Taylor Childers (LCF)
  
  2023-08_ALCF-CPS-Discussion.pdf
- 8
  
  Scalable diverse workloads on AI accelerators
  
  Speaker: Varuni Katti Sastry (LCF Division)
  
  Scalable diverse AI4S workloads on AI Testbeds.pdf
- 9
  
  Scalable Graph Neural Networks for Mesh-Based Fluid Flow Modeling
  
  Speaker: Shivam Barwey (LCF Division)
  
  shivam_cps_workshop_slides[1].pdf
  
  shivam_cps_workshop_slides.key
- 10
  
  Data services
  
  Speaker: Aditya Tanikanti (LCF)
  
  ALCF CPS Data Services Meeting Slide.pdf
  
  ALCF CPS Data Services Meeting Slide.pptx
- 11
  
  Automatic MRI segmentation for upper limb muscles for clinical applications
  
  Speaker: Marta Garcia Martinez (CPS)
  
  WORKSHOP - Data-Intensive Computing and AI-ML Applications at Scale - 2023-08-17 - Marta Garcia Martinez.pdf
- 10:21 AM
  
  Coffee Break
- 12
  
  Machine Learning Potentials for Molecules and Materials
  
  Speaker: Murat Keceli (CPS)
  
  keceli_230817.pdf
- 13
  
  Solving the quantum many-body problem with neural network quantum states
  
  Speaker: Alessandro Lovato (PHY & CPS Divisions)
  
  Lovato_CPS_Workshop.pdf
- 14
  
  Data-driven modeling in Cosmology
  
  Speaker: Nesar Ramachandra (CPS)
  
  alcf_ai_cosmo_nesar_ramachandra.pdf
- 15
  
  In Situ ML for HPC Simulation
  
  Speaker: Riccardo Balin (LCF)
  
  Balin_CPS_workshop[1].pdf
- 16
  
  Workflow tools for large scale job campaigns at ALCF
  
  Speaker: Christine Simpson (ALCF)
  
  Simpson_workflows_intro.pdf
- 17
  
  HMC with change of variables using ML and scaling up
  
  Speaker: Xiaoyong Jin (CPS)
  
  JinML_change_of_variable_20230816.pdf
- 18
  
  AI/ML for generative models and acceleration of scientific workloads
  
  Speaker: Filippo Simini (LCF)
  
  2023_08_18_fsimini.pdf
- 19
  
  Scaling LLMs for Science and Ongoing Collaborations
  
  Speaker: Sam Foreman (LCF)
  
  Scaling LLMs for Science and Ongoing Collaborations
- 20
  
  AI use cases to advance quantum computing
  
  Speaker: Yuri Alexeev (CPS)
  
  AlexeevAI ANL.pdf
- 21
  
  Integrated Research Infrastructure for DOE / Brain reconstruction from electron microscopy imaging
  
  Speaker: Thomas Uram (LCF)
  
  turam_alcf_cps.pdf
- 22
  
  Interfacing cosmological simulations and observations
  
  Speaker: Patricia Larsen (CPS)
  
  Larsentalk_2023.pdf
- 23
  
  Aurora Prep and Coupling Simulations and ML
  
  Speaker: Bethany Lusch (LCF)
  
  BethanyLusch.pptx
- 24
  
  Coupling MPI with Dask in Situ
  
  Speaker: Amal Gueroudji (Argonne)
  
  GueroudjiDask Enabled In situ Analytics (1).pdf
- 25
  
  Scalable Learning on ALCF Systems
  
  Speaker: Corey Adams (LCF)
  
  AdamsScalable Learning ALCF Systems-1.pdf
- 11:15 AM
  
  Coffee Break
- 26
  
  Open Discussion
- 12:00 PM
  
  Working Lunch, Collect boxed lunches
- 27
  
  Subgroup Discussions

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Data-Intensive Computing and AI/ML Applications at Scale

Room 1501

Building 240