Search Results for author: Alexander Brace

Found 7 papers, 0 papers with code

Connecting Large Language Model Agent to High Performance Computing Resource

no code implementations17 Feb 2025 Heng Ma, Alexander Brace, Carlo Siebenschuh, Greg Pauloski, Ian Foster, Arvind Ramanathan

The Large Language Model agent workflow enables the LLM to invoke tool functions to increase the performance on specific scientific domain questions.

Language Modeling Language Modelling +1

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

no code implementations15 Nov 2024 Peter St. John, Dejun Lin, Polina Binder, Malcolm Greaves, Vega Shah, John St. John, Adrian Lange, Patrick Hsu, Rajesh Illango, Arvind Ramanathan, Anima Anandkumar, David H Brookes, Akosua Busia, Abhishaike Mahajan, Stephen Malina, Neha Prasad, Sam Sinai, Lindsay Edwards, Thomas Gaudelet, Cristian Regep, Martin Steinegger, Burkhard Rost, Alexander Brace, Kyle Hippe, Luca Naef, Keisuke Kamata, George Armstrong, Kevin Boyd, Zhonglin Cao, Han-Yi Chou, Simon Chu, Allan dos Santos Costa, Sajad Darabi, Eric Dawson, Kieran Didi, Cong Fu, Mario Geiger, Michelle Gill, Darren Hsu, Gagan Kaushik, Maria Korshunova, Steven Kothen-Hill, Youhan Lee, Meng Liu, Micha Livne, Zachary McClure, Jonathan Mitchell, Alireza Moradzadeh, Ohad Mosafi, Youssef Nashed, Yuxing Peng, Sara Rabhi, Farhad Ramezanghorbani, Danny Reidenbach, Camir Ricketts, Brian Roland, Kushal Shah, Tyler Shimko, Hassan Sirelkhatim, Savitha Srinivasan, Abraham C Stern, Dorota Toczydlowska, Srimukh Prasad Veccham, Niccolò Alberto Elia Venanzi, Anton Vorontsov, Jared Wilber, Isabel Wilkinson, Wei Jing Wong, Eva Xue, Cory Ye, Xin Yu, Yang Zhang, Guoqing Zhou, Becca Zandstein, Christian Dallago, Bruno Trentini, Emine Kucukbenli, Saee Paliwal, Timur Rvachov, Eddie Calleja, Johnny Israeli, Harry Clifford, Risto Haukioja, Nicholas Haemel, Kyle Tretina, Neha Tadimeti, Anthony B Costa

We introduce the BioNeMo Framework to facilitate the training of computational biology and chemistry AI models across hundreds of GPUs.

Drug Discovery

LSHBloom: Memory-efficient, Extreme-scale Document Deduplication

no code implementations6 Nov 2024 Arham Khan, Robert Underwood, Carlo Siebenschuh, Yadu Babuji, Aswathy Ajith, Kyle Hippe, Ozan Gokdemir, Alexander Brace, Kyle Chard, Ian Foster

Deduplication is a major focus for assembling and curating training datasets for large language models (LLM) -- detecting and eliminating additional instances of the same content -- in large collections of technical documents.

Memorization

Employing Artificial Intelligence to Steer Exascale Workflows with Colmena

no code implementations26 Aug 2024 Logan Ward, J. Gregory Pauloski, Valerie Hayot-Sasson, Yadu Babuji, Alexander Brace, Ryan Chard, Kyle Chard, Rajeev Thakur, Ian Foster

Computational workflows are a common class of application on supercomputers, yet the loosely coupled and heterogeneous nature of workflows often fails to take full advantage of their capabilities.

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

no code implementations6 Oct 2023 Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang, Conglong Li, Shiyang Chen, Chengming Zhang, Masahiro Tanaka, Xiaoxia Wu, Jeff Rasley, Ammar Ahmad Awan, Connor Holmes, Martin Cai, Adam Ghanem, Zhongzhu Zhou, Yuxiong He, Pete Luferenko, Divya Kumar, Jonathan Weyn, Ruixiong Zhang, Sylwester Klocek, Volodymyr Vragov, Mohammed AlQuraishi, Gustaf Ahdritz, Christina Floristean, Cristina Negri, Rao Kotamarthi, Venkatram Vishwanath, Arvind Ramanathan, Sam Foreman, Kyle Hippe, Troy Arcomano, Romit Maulik, Maxim Zvyagin, Alexander Brace, Bin Zhang, Cindy Orozco Bohorquez, Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, J. Gregory Pauloski, Logan Ward, Valerie Hayot, Murali Emani, Zhen Xie, Diangen Lin, Maulik Shukla, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Prasanna Balaprakash, Gina Tourassi, John Gounley, Heidi Hanson, Thomas E Potok, Massimiliano Lupo Pasini, Kate Evans, Dan Lu, Dalton Lunga, Junqi Yin, Sajal Dash, Feiyi Wang, Mallikarjun Shankar, Isaac Lyngaas, Xiao Wang, Guojing Cong, Pei Zhang, Ming Fan, Siyan Liu, Adolfy Hoisie, Shinjae Yoo, Yihui Ren, William Tang, Kyle Felker, Alexey Svyatkovskiy, Hang Liu, Ashwin Aji, Angela Dalton, Michael Schulte, Karl Schulz, Yuntian Deng, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Anima Anandkumar, Rick Stevens

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences.

scientific discovery

Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to Supercomputers

no code implementations25 Aug 2023 Alexander Brace, Rafael Vescovi, Ryan Chard, Nickolaus D. Saint, Arvind Ramanathan, Nestor J. Zaluzec, Ian Foster

The Dynamic PicoProbe at Argonne National Laboratory is undergoing upgrades that will enable it to produce up to 100s of GB of data per day.

Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations

no code implementations10 Apr 2021 Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd Munson, Ian Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha

The results establish DeepDriveMD as a high-performance framework for ML-driven HPC simulation scenarios, that supports diverse MD simulation and ML back-ends, and which enables new scientific insights by improving the length and time scales accessible with current computing capacity.

Protein Folding

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