Reducing the Long Tail Losses in Scientific Emulations with Active Learning

Abstract

Deep-learning-based models are increasingly used to emulate scientific simulations to accelerate scientific research. However, accurate, supervised deep learning models require huge amount of labelled data, and that often becomes the bottleneck in employing neural networks. In this work, we leveraged an active learning approach called core-set selection to actively select data, per a pre-defined budget, to be labelled for training. To further improve the model performance and reduce the training costs, we also warm started the training using a shrink-and-perturb trick. We tested on two case studies in different fields, namely galaxy halo occupation distribution modelling in astrophysics and x-ray emission spectroscopy in plasma physics, and the results are promising: we achieved competitive overall performance compared to using a random sampling baseline, and more importantly, successfully reduced the larger absolute losses, i.e. the long tail in the loss distribution, at virtually no overhead costs.