GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics

Author:

Zvyagin Maxim1,Brace Alexander12,Hippe Kyle1,Deng Yuntian34,Zhang Bin5,Bohorquez Cindy Orozco5,Clyde Austin12,Kale Bharat6,Perez-Rivera Danilo17,Ma Heng1,Mann Carla M.12,Irvin Michael1,Ozgulbas Defne G.8ORCID,Vassilieva Natalia5,Pauloski James Gregory2ORCID,Ward Logan1,Hayot-Sasson Valerie129,Emani Murali19,Foreman Sam19,Xie Zhen1,Lin Diangen12ORCID,Shukla Maulik12,Nie Weili3,Romero Josh3,Dallago Christian310,Vahdat Arash3,Xiao Chaowei38,Gibbs Thomas3,Foster Ian12ORCID,Davis James J.12,Papka Michael E.1911,Brettin Thomas112,Stevens Rick1212,Anandkumar Anima313,Vishwanath Venkatram19,Ramanathan Arvind1ORCID

Affiliation:

1. Data Science and Learning Division, Argonne National Laboratory, Lemont, IL, USA

2. Department of Computer Science, University of Chicago, Hyde Park, IL, USA

3. NVIDIA Inc., Santa Clara, CA, USA

4. Harvard University, Cambridge, MA, USA

5. Cerebras Inc., San Jose, CA, USA

6. Computer Science Department, Northern Illinois University, DeKalb, IL, USA

7. New York University, New York, NY, USA

8. Department of Biochemistry, University of Illinois-Urbana Champaign, Champaign, IL, USA

9. Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, IL, USA

10. Computer Science Department, Technical University of Munich, Munich,Germany

11. Computer Science Department, University of Illinois Chicago, Chicago, IL, USA

12. Computing, Environment and Life Sciences Directorate, Argonne National Laboratory, Lemont, IL, USA

13. Computer Science Department, California Institute of Technology, Pasadena, CA, USA

Abstract

We seek to transform how new and emergent variants of pandemic-causing viruses, specifically SARS-CoV-2, are identified and classified. By adapting large language models (LLMs) for genomic data, we build genome-scale language models (GenSLMs) which can learn the evolutionary landscape of SARS-CoV-2 genomes. By pre-training on over 110 million prokaryotic gene sequences and fine-tuning a SARS-CoV-2-specific model on 1.5 million genomes, we show that GenSLMs can accurately and rapidly identify variants of concern. Thus, to our knowledge, GenSLMs represents one of the first whole-genome scale foundation models which can generalize to other prediction tasks. We demonstrate scaling of GenSLMs on GPU-based supercomputers and AI-hardware accelerators utilizing 1.63 Zettaflops in training runs with a sustained performance of 121 PFLOPS in mixed precision and peak of 850 PFLOPS. We present initial scientific insights from examining GenSLMs in tracking evolutionary dynamics of SARS-CoV-2, paving the path to realizing this on large biological data.

Funder

Exascale Computing Project

Publisher

SAGE Publications

Subject

Hardware and Architecture,Theoretical Computer Science,Software

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