Building Machine Learning Challenges for Anomaly Detection in Science

Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

Rapid Likelihood Free Inference of Compact Binary Coalescences using Accelerated Hardware

We report a gravitational-wave parameter estimation algorithm, AMPLFI, based on likelihood-free inference using normalizing flows. The focus of AMPLFI is to perform real-time parameter estimation for candidates detected by machine-learning based compact binary coalescence search, Aframe. We present details of our algorithm and optimizations done related to data-loading and pre-processing on accelerated hardware. We train our model using binary black-hole (BBH) simulations on real LIGO-Virgo detector noise. Our model has $\sim 6$ million trainable parameters with training times $\lesssim 24$ hours. Based on online deployment on a mock data stream of LIGO-Virgo data, Aframe + AMPLFI is able to pick up BBH candidates and infer parameters for real-time alerts from data acquisition with a net latency of $\sim 6$s.

Optimizing Likelihood-free Inference using Self-supervised Neural Symmetry Embeddings

Likelihood-free inference is quickly emerging as a powerful tool to perform fast/effective parameter estimation. We demonstrate a technique of optimizing likelihood-free inference to make it even faster by marginalizing symmetries in a physical problem. In this approach, physical symmetries, for example, time-translation are learned using joint-embedding via self-supervised learning with symmetry data augmentations. Subsequently, parameter inference is performed using a normalizing flow where the embedding network is used to summarize the data before conditioning the parameters. We present this approach on two simple physical problems and we show faster convergence in a smaller number of parameters compared to a normalizing flow that does not use a pre-trained symmetry-informed representation.