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Workshop: Workshop on Artificial Intelligence and Machine Learning for Scientific Applications (AI4S)

Session Chairs

University of California, Merced

Pacific Northwest National Laboratory (PNNL)

University of California, Merced

Argonne National Laboratory (ANL)

Event TypeWorkshop

TimeMonday, 13 November 20239am - 5:30pm MST

Location501-502

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Presentations

9:00am - 10:00am MST	AI4S – Keynote Presenter Rick Stevens
10:00am - 10:30am MST	AI4S – Morning Break
10:30am - 11:30am MST	AI4S – Invited Talk Presenter Animashree (Anima) Anandkumar
11:30am - 11:50am MST	A Comparison of Mesh-Free Differentiable Programming and Data-Driven Strategies for Optimal Control under PDE Constraints Author/Presenters Roussel Desmond Nzoyem Ngueguin David A.W. Barton Tom Deakin
11:50am - 12:10pm MST	Toward Foundation Models for Materials Science: The Open MatSci ML Toolkit Author/Presenters Kin Long Kelvin Lee Carmelo Gonzales Matthew Spellings Mikhail Galkin Santiago Miret Nalini Kumar
12:10pm - 12:30pm MST	Protein Generation via Genome-Scale Language Models with Bio-Physical Scoring Author/Presenters Gautham Dharuman Logan Ward Heng Ma Priyanka V. Setty Ozan Gokdemir Sam Foreman Murali Emani Kyle Hippe Alexander Brace Kristopher Keipert Thomas Gibbs Ian Foster Anima Anandkumar Venkatram Vishwanath Arvind Ramanathan
12:30pm - 2:00pm MST	AI4S – Lunch Break
2:00pm - 2:20pm MST	Accelerating Particle and Fluid Simulations with Differentiable and Interpretable Graph Networks for Solving Forward and Inverse Problems Author/Presenters Krishna Kumar Yonjin Choi
2:20pm - 2:40pm MST	Enabling Performant Thermal Conductivity Modeling with DeePMD and LAMMPS on CPUs Author/Presenters Nariman Piroozan Nalini Kumar
2:40pm - 3:00pm MST	Machine Learning Applied to Single-Molecule Activity Prediction Author/Presenters Kendric Hood Qiang Guan
3:00pm - 3:30pm MST	AI4S – Afternoon Break
3:30pm - 3:50pm MST	Tournament-Based Pretraining to Accelerate Federated Learning Author/Presenters Matt Baughman Nathaniel Hudson Ryan Chard Andre Bauer Ian Foster Kyle Chard
3:50pm - 4:10pm MST	Elastic Deep Learning through Resilient Collective Operations Author/Presenters Jiali Li George Bosilca Aurelien Bouteiller Bogdan Nicolae
4:10pm - 4:30pm MST	Toward Rapid Autonomous Electron Microscopy with Active Meta-Learning Author/Presenters Gayathri Saranathan Martin Foltin Aalap Tripathy Maxim Ziatdinov Ann Mary Justine Koomthanam Suparna Bhattacharya Ayana Ghosh Kevin Roccapriore Sreenivas Rangan Sukumar Paolo Faraboschi
4:30pm - 4:45pm MST	Autotuning Apache TVM-Based Scientific Applications Using Bayesian Optimization Author/Presenters Xingfu Wu Praveen Paramasivam Valerie Taylor
4:45pm - 5:00pm MST	Enhancing Heterogeneous Federated Learning with Knowledge Extraction and Multi-Model Fusion Author/Presenters Duy Phuong Nguyen Sixing Yu J. Pablo Muñoz Ali Jannesari
5:00pm - 5:15pm MST	Entropy-Driven Optimal Sub-Sampling of Fluid Dynamics for Developing Machine-Learned Surrogates Author/Presenters Wesley Brewer Daniel Martinez Muralikrishnan Gopalakrishnan Meena Aditya Kashi Katarzyna Borowiec Siyan Liu Christopher Pilmaier Greg Burgreen Shanti Bhushan
5:15pm - 5:30pm MST	Tencoder: Tensor-Product Encoder-Decoder Architecture for Predicting Solutions of PDEs with Variable Boundary Data Author/Presenter Aditya Kashi