Modern scientific workflows couple simulations with AI-powered analytics by frequently exchanging data to accelerate time-to-science to reduce the complexity of the simulation planes. However, this data exchange is limited in performance and portability due to a lack of support for scientific data formats in AI frameworks. We need a cohesive mechanism to effectively integrate at scale complex scientific data formats such as HDF5, PnetCDF, ADIOS2, GNCF, and Silo into popular AI frameworks such as TensorFlow, PyTorch, and Caffe. To this end, we designed Stimulus, a data management library for ingesting scientific data effectively into the popular AI frameworks. We utilize the StimOps functions along with StimPack abstraction to enable the integration of scientific data formats with any AI framework. The evaluations show that Stimulus outperforms several large-scale applications with different use-cases such as Cosmic Tagger (consuming HDF5 dataset in PyTorch), Distributed FFN (consuming HDF5 dataset in TensorFlow), and CosmoFlow (converting HDF5 into TFRecord and then consuming that in TensorFlow) by 5.3 x, 2.9 x, and 1.9 x respectively with ideal I/O scalability up to 768 GPUs on the Summit supercomputer. Through Stimulus, we can portably extend existing popular AI frameworks to cohesively support any complex scientific data format and efficiently scale the applications on large-scale supercomputers.
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Etalumis: Bringing Probabilistic Programming to Scientific Simulators at Scale
Probabilistic programming languages (PPLs) are receiving wide- spread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting complex scientific simu- lators in a PPL, the computational cost of inference, and the lack of scalable implementations. To address these, we present a novel PPL framework that couples directly to existing scientific simulators through a cross-platform probabilistic execution protocol and pro- vides Markov chain Monte Carlo (MCMC) and deep-learning-based inference compilation (IC) engines for tractable inference. To guide IC inference, we perform distributed training of a dynamic 3DCNN– LSTM architecture with a PyTorch-MPI-based framework on 1,024 32-core CPU nodes of the Cori supercomputer with a global mini- batch size of 128k: achieving a performance of 450 Tflop/s through enhancements to PyTorch. We demonstrate a Large Hadron Col- lider (LHC) use-case with the C++ Sherpa simulator and achieve the largest-scale posterior inference in a Turing-complete PPL.
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- Award ID(s):
- 1836650
- PAR ID:
- 10169392
- Date Published:
- Journal Name:
- SC '19: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Conference Paper:
- https://doi.org/10.1145/3295500.3356180
