Explainable machine learning workflows for radio astronomical data processing

The NSF-DOE Vera C. Rubin Observatory, Roman Space Telescope, Euclid, and other next-generation surveys will deliver imaging, spectroscopic, and time-domain data at scales that increasingly shift the bottleneck in astronomical machine learning (ML) projects from model design to infrastructure. We present Hyrax, an open-source, modular, GPU-enabled Python framework that supports the full ML lifecycle in astronomy: from data acquisition and training to inference and experiment comparison, with capabilities including multimodal dataset support, integrated vector databases for similarity search, and interactive two- and three-dimensional latent-space exploration for unsupervised discovery. We demonstrate Hyrax's versatility through five representative applications on real survey data: (i) unsupervised representation learning on $\sim 4\times10^5$ Rubin Legacy Survey of Space and Time (LSST) Data Preview 1 (DP1) galaxies, surfacing new merger and low-surface-brightness candidates missing from reference Euclid and Dark Energy Survey catalogs, while also isolating imaging artifacts -- all without labeled training data; (ii) hybrid density-based clustering for identifying cluster-scale gravitational lens candidates in DP1 data; (iii) multimodal early-time transient classification in the Zwicky Transient Facility leveraging light curves, spectra, images, and metadata; (iv) supervised false-positive filtering in shift-and-stack searches for distant solar system objects in the Dark Energy Camera Ecliptic Exploration Project survey; and (v) supervised detection of semi-resolved dwarf galaxies in Hyper Suprime-Cam and LSST-like imaging using synthetic source injection. Together, these results demonstrate that Hyrax provides astronomy-specific ML infrastructure that enables systematic discovery and rapid methodological iteration across next-generation astronomical surveys.

Interpretability is critical for machine learning models deployed in scientific space missions such as ESA's Ariel, where ground truth is unavailable during operations and physical plausibility must be assessed. While most explainable AI methods focus on feature attribution, this work investigates training data attribution through influence functions and introduces three key contributions for operational spectroscopy pipelines. First, influence is reformulated in terms of prediction rather than loss, enabling label-free deployment. Second, by leveraging the closed-form ridge solution of an Extreme Learning Machine, infinitesimal prediction influence is efficiently computed. Third, an influence-based conservative error proxy is derived by propagating training residuals through the influence sensitivities. Evaluated against simulated spectra, the proposed proxy correlates strongly with scale and shape-based spectral errors. Furthermore, influence functions enable the identification of the most influential samples and the approximation of the most harmful ones. Together, these results suggest that this approach can serve as an operational framework for scientific machine learning.

Large language models (LLMs) demonstrate strong performance in natural language processing but often generate factual errors when relying solely on parametric knowledge. Retrieval-Augmented Generation (RAG) mitigates these errors by grounding responses in external evidence, yet conventional retrieve-and-dump approaches frequently introduce irrelevant context that degrades answer quality. In this work, we present AstroRAG -- a PageRank-based retrieval-augmented generation (RAG) pipeline adapted for question answering in astronomy. The system performs token-aware chunking and per-instance, ephemeral indexing in Elasticsearch, then executes a two-stage retrieval: (i) Maximal Marginal Relevance (MMR) to obtain a small, diverse candidate set and (ii) a reader-driven PageRank (PR) re-ranking on a similarity graph to identify a compact, mutually supportive context under a strict token budget. Our design is training-free, privacy-preserving, and reproducible, as each instance is processed through transient indexing to prevent cross-task leakage. We evaluate the pipeline on the AstroQA benchmark for astronomy QA, and demonstrate competitive performance across all difficulty levels. In particular, the RAG-enhanced Mistral-7B achieves 79.49% accuracy and 79.49% F1-score, nearly doubling the performance of its non-RAG counterpart. These results highlight the effectiveness of disciplined retrieval and refinement in boosting domain-specific reasoning, establishing a robust foundation for extending RAG to other scientific fields.