Josh Romero

Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang et al. · microsoft-research

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

Jonathan Coles, Stefano Schuppli, Lukas Drescher et al.

Large Language Models (LLMs) have surged as a transformative technology for science and society, prompting governments worldwide to pursue sovereign AI capabilities that ensure data compliance and cultural representation. However, the associated capital costs and engineering complexity required to train these models have largely restricted such capabilities to the private sector, leaving a significant gap for public institutions. This paper details the engineering journey behind training Apertus, a fully open multilingual foundation model, on the Alps supercomputer. Representing a first-of-its-kind achievement for academia at the 70B parameter scale, we successfully deployed a massive pre-training campaign on one of Europe's largest systems for open science, powered by NVIDIA GH200 Grace Hopper Superchips. We detail the challenges encountered in readying HPC infrastructure for training AI models, from overcoming storage bottlenecks to stabilizing large-scale interconnects, and the lessons learned in transforming a supercomputer into a resilient software-defined Machine Learning Platform. Finally, we discuss the post-training requirements and evolution of our Machine Learning platform, outlining how this initial release lays the groundwork for a sustained, iterative operational capability, in particular for fine tuning foundation models, that extends well beyond a single model training run.

Liu Yang, Sean Treichler, Thorsten Kurth et al.

Uncertainty quantification for forward and inverse problems is a central challenge across physical and biomedical disciplines. We address this challenge for the problem of modeling subsurface flow at the Hanford Site by combining stochastic computational models with observational data using physics-informed GAN models. The geographic extent, spatial heterogeneity, and multiple correlation length scales of the Hanford Site require training a computationally intensive GAN model to thousands of dimensions. We develop a hierarchical scheme for exploiting domain parallelism, map discriminators and generators to multiple GPUs, and employ efficient communication schemes to ensure training stability and convergence. We developed a highly optimized implementation of this scheme that scales to 27,500 NVIDIA Volta GPUs and 4584 nodes on the Summit supercomputer with a 93.1% scaling efficiency, achieving peak and sustained half-precision rates of 1228 PF/s and 1207 PF/s.