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.

A Poisson Process AutoDecoder for X-ray Sources

X-ray observing facilities, such as the Chandra X-ray Observatory and the eROSITA, have detected millions of astronomical sources associated with high-energy phenomena. The arrival of photons as a function of time follows a Poisson process and can vary by orders-of-magnitude, presenting obstacles for common tasks such as source classification, physical property derivation, and anomaly detection. Previous work has either failed to directly capture the Poisson nature of the data or only focuses on Poisson rate function reconstruction. In this work, we present Poisson Process AutoDecoder (PPAD). PPAD is a neural field decoder that maps fixed-length latent features to continuous Poisson rate functions across energy band and time via unsupervised learning. PPAD reconstructs the rate function and yields a representation at the same time. We demonstrate the efficacy of PPAD via reconstruction, regression, classification and anomaly detection experiments using the Chandra Source Catalog.

Representation Learning for Time-Domain High-Energy Astrophysics: Discovery of Extragalactic Fast X-ray Transient XRT 200515

We present a novel representation learning method for downstream tasks such as anomaly detection and unsupervised transient classification in high-energy datasets. This approach enabled the discovery of a new fast X-ray transient (FXT) in the Chandra archive, XRT 200515, a needle-in-the-haystack event and the first Chandra FXT of its kind. Recent serendipitous breakthroughs in X-ray astronomy, including FXTs from binary neutron star mergers and an extragalactic planetary transit candidate, highlight the need for systematic transient searches in X-ray archives. We introduce new event file representations, E-t Maps and E-t-dt Cubes, designed to capture both temporal and spectral information, effectively addressing the challenges posed by variable-length event file time series in machine learning applications. Our pipeline extracts low-dimensional, informative features from these representations using principal component analysis or sparse autoencoders, followed by clustering in the embedding space with DBSCAN. New transients are identified within transient-dominant clusters or through nearest-neighbor searches around known transients, producing a catalog of 3,539 candidates (3,427 flares and 112 dips). XRT 200515 exhibits unique temporal and spectral variability, including an intense, hard <10 s initial burst followed by spectral softening in an ~800 s oscillating tail. We interpret XRT 200515 as either the first giant magnetar flare observed at low X-ray energies or the first extragalactic Type I X-ray burst from a faint LMXB in the LMC. Our method extends to datasets from other observatories such as XMM-Newton, Swift-XRT, eROSITA, Einstein Probe, and upcoming missions like AXIS.