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Opportunities in AI/ML for the Rubin LSST Dark Energy Science Collaboration

LSST Dark Energy Science Collaboration, Eric Aubourg, Camille Avestruz, Matthew R. Becker, Biswajit Biswas, Rahul Biswas, Boris Bolliet, Adam S. Bolton, Clecio R. Bom, Raphaël Bonnet-Guerrini, Alexandre Boucaud, Jean-Eric Campagne, Chihway Chang, Aleksandra Ćiprijanović, Johann Cohen-Tanugi, Michael W. Coughlin, John Franklin Crenshaw, Juan C. Cuevas-Tello, Juan de Vicente, Seth W. Digel, Steven Dillmann, Mariano Javier de León Dominguez Romero, Alex Drlica-Wagner, Sydney Erickson, Alexander T. Gagliano, Christos Georgiou, Aritra Ghosh, Matthew Grayling, Kirill A. Grishin, Alan Heavens, Lindsay R. House, Mustapha Ishak, Wassim Kabalan, Arun Kannawadi, François Lanusse, C. Danielle Leonard, Pierre-François Léget, Michelle Lochner, Yao-Yuan Mao, Peter Melchior, Grant Merz, Martin Millon, Anais Möller, Gautham Narayan, Yuuki Omori, Hiranya Peiris, Laurence Perreault-Levasseur, Andrés A. Plazas Malagón, Nesar Ramachandra, Benjamin Remy, Cécile Roucelle, Jaime Ruiz-Zapatero, Stefan Schuldt, Ignacio Sevilla-Noarbe, Ved G. Shah, Tjitske Starkenburg, Stephen Thorp, Laura Toribio San Cipriano, Tilman Tröster, Roberto Trotta, Padma Venkatraman, Amanda Wasserman, Tim White, Justine Zeghal, Tianqing Zhang, Yuanyuan Zhang

TL;DR

This white paper analyzes how the DESC faces LSST-era cosmology challenges and argues for a principled, cross-cutting AI/ML strategy. It foregrounds foundational research in Bayesian inference, SBI, physics-informed learning, and novelty detection, and envisions data foundation models and agentic AI as scalable, governance-aware accelerators. The report details infrastructure, software stacks, and community coordination needed to deploy AI at petabyte scales while maintaining reproducibility, interpretability, and data governance. It also outlines external partnerships and risk-management plans to maximize scientific return and ensure sustainable, responsible AI integration into DESC workflows. Overall, DESC positions itself as a leader in trustworthy AI for fundamental science, leveraging powerful ML while preserving scientific accountability and human-in-the-loop oversight.

Abstract

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) will produce unprecedented volumes of heterogeneous astronomical data (images, catalogs, and alerts) that challenge traditional analysis pipelines. The LSST Dark Energy Science Collaboration (DESC) aims to derive robust constraints on dark energy and dark matter from these data, requiring methods that are statistically powerful, scalable, and operationally reliable. Artificial intelligence and machine learning (AI/ML) are already embedded across DESC science workflows, from photometric redshifts and transient classification to weak lensing inference and cosmological simulations. Yet their utility for precision cosmology hinges on trustworthy uncertainty quantification, robustness to covariate shift and model misspecification, and reproducible integration within scientific pipelines. This white paper surveys the current landscape of AI/ML across DESC's primary cosmological probes and cross-cutting analyses, revealing that the same core methodologies and fundamental challenges recur across disparate science cases. Since progress on these cross-cutting challenges would benefit multiple probes simultaneously, we identify key methodological research priorities, including Bayesian inference at scale, physics-informed methods, validation frameworks, and active learning for discovery. With an eye on emerging techniques, we also explore the potential of the latest foundation model methodologies and LLM-driven agentic AI systems to reshape DESC workflows, provided their deployment is coupled with rigorous evaluation and governance. Finally, we discuss critical software, computing, data infrastructure, and human capital requirements for the successful deployment of these new methodologies, and consider associated risks and opportunities for broader coordination with external actors.

Opportunities in AI/ML for the Rubin LSST Dark Energy Science Collaboration

TL;DR

This white paper analyzes how the DESC faces LSST-era cosmology challenges and argues for a principled, cross-cutting AI/ML strategy. It foregrounds foundational research in Bayesian inference, SBI, physics-informed learning, and novelty detection, and envisions data foundation models and agentic AI as scalable, governance-aware accelerators. The report details infrastructure, software stacks, and community coordination needed to deploy AI at petabyte scales while maintaining reproducibility, interpretability, and data governance. It also outlines external partnerships and risk-management plans to maximize scientific return and ensure sustainable, responsible AI integration into DESC workflows. Overall, DESC positions itself as a leader in trustworthy AI for fundamental science, leveraging powerful ML while preserving scientific accountability and human-in-the-loop oversight.

Abstract

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) will produce unprecedented volumes of heterogeneous astronomical data (images, catalogs, and alerts) that challenge traditional analysis pipelines. The LSST Dark Energy Science Collaboration (DESC) aims to derive robust constraints on dark energy and dark matter from these data, requiring methods that are statistically powerful, scalable, and operationally reliable. Artificial intelligence and machine learning (AI/ML) are already embedded across DESC science workflows, from photometric redshifts and transient classification to weak lensing inference and cosmological simulations. Yet their utility for precision cosmology hinges on trustworthy uncertainty quantification, robustness to covariate shift and model misspecification, and reproducible integration within scientific pipelines. This white paper surveys the current landscape of AI/ML across DESC's primary cosmological probes and cross-cutting analyses, revealing that the same core methodologies and fundamental challenges recur across disparate science cases. Since progress on these cross-cutting challenges would benefit multiple probes simultaneously, we identify key methodological research priorities, including Bayesian inference at scale, physics-informed methods, validation frameworks, and active learning for discovery. With an eye on emerging techniques, we also explore the potential of the latest foundation model methodologies and LLM-driven agentic AI systems to reshape DESC workflows, provided their deployment is coupled with rigorous evaluation and governance. Finally, we discuss critical software, computing, data infrastructure, and human capital requirements for the successful deployment of these new methodologies, and consider associated risks and opportunities for broader coordination with external actors.
Paper Structure (149 sections, 1 figure)

This paper contains 149 sections, 1 figure.

Figures (1)

  • Figure 1: Transversal connections between DESC science applications (left), AI/ML methodologies (top), and shared challenges (right), as surfaced by \ref{['sec3:use_case_for_aiml']}. The recurring appearance of the same methods and challenges across disparate science cases motivates collaboration-wide coordination of AI/ML efforts rather than siloed development within individual working groups. An interactive version of this diagram is available at https://lsstdesc.org/AI_For_DESC/figures/chord-diagram.html