LSH-SMILE: Locality Sensitive Hashing Accelerated Simulation and Learning

Part of Advances in Neural Information Processing Systems 34 pre-proceedings (NeurIPS 2021)

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Chonghao Sima, Yexiang Xue


The advancement of deep neural networks over the last decade has enabled progress in scientific knowledge discovery in the form of learning Partial Differential Equations (PDEs) directly from experiment data. Nevertheless, forward simulation and backward learning of large-scale dynamic systems require handling billions of mutually interacting elements, the scale of which overwhelms current computing architectures. We propose Locality Sensitive Hashing Accelerated Simulation and Learning (LSH-SMILE), a unified framework to scale up both forward simulation and backward learning of physics systems. LSH-SMILE takes advantage of (i) the locality of PDE updates, (ii) similar temporal dynamics shared by multiple elements. LSH-SMILE hashes elements with similar dynamics into a single hash bucket and handles their updates at once. This allows LSH-SMILE to scale with respect to the number of non-empty hash buckets, a drastic improvement over conventional approaches. Theoretically, we prove a novel bound on the errors introduced by LSH-SMILE. Experimentally, we demonstrate that LSH-SMILE simulates physics systems at comparable quality with exact approaches, but with way less time and space complexity. Such savings also translate to better learning performance due to LSH-SMILE's ability to propagate gradients over a long duration.