Meeting Notes 04-03-2023

Minutes of SBI-FAIR April 3 2023, Meeting

Present: Geoffrey Fox, Gregor von Laszewski, Przemek Porebski, Piotr Luszczek, Kamil Iskra, Xiaodong Yu, Baixi Sun. Vikram Jadhao, Margaret Lentz (DOE),

Regrets: Shantenu Jha

**DOE **had no major announcements but reminded us of links

• US Department of Energy Office of Science
• ASCR Funding Opportunities | U.S. DOE Office of Science (SC)
• Also noted that No Cost extensions were needed six months before the official end due to the heavy load at the DOE Chicago office.
• Margaret noted that University responses to Earthshot should read the laboratory call as well.

Virginia Geoffrey summarized activities (Slides 1-5) with a new Virtual Tissue surrogate using UNet and periodic boundary conditions. We are investigating new ideas that can describe functions with a wide dynamic range. Virginia is responsible for final deployed surrogates and building a team with Undergraduates, Researchers, and Ph.D. students. Students find experience educational, as we discovered in a collaboration with New York University. Przemek Porebski is joining the Virginia team with experience in computational epidemiology, and software engineering. Przemek introduced himself. Virginia also covered the status of MLCommons benchmarks, including new ones OSMIBench and FastML.

Rutgers Shantenu was unable to attend but prepared slides and briefed them to Geoffrey, who presented them to him (Slides 6-10). These summarize the current status with a list of the six classes of surrogate problems identified as important. Shantenu compared the training samples for surrogates with that found for LLM’s. He proposes to develop mini-apps (benchmarks) covering the range of key features exhibited by surrogates.

Vikram gave Indiana University’s Presentation with a careful analysis of accuracy as a function of

• Dataset size showing error plateaus at acceptable values at a sample size of around 2000.
• The boundary versus internal points
• Sensitivity to removing selected features and how many removed points were needed for acceptable answers. Here result depended on the particular feature and measured generalizability of the network.
• There is a publication under review.

Argonne’s new results were described by Baixi where the team was busy preparing a paper for SC23.

• They continued the study of second-order methods showing a broadcast was time-consuming, taking 48% of the time on 64 GPUs.
• The message sizes were not large and in a region where latency was important.
• They used lossy compression and studied the outliers in this.
• Note the last meeting’s presentation introducing the K-FAC method.

Piotr described Tennessee’s work with

• Focus on SABATH tested on three applications. It is nearly ready to be used by Virginia
• They have identified a new graduate student and need to modify the contract where Margaret gave key advice.