Roberto Trotta

LSST Dark Energy Science Collaboration, Eric Aubourg, Camille Avestruz et al.

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.

Uros Zivanovic, Serafina Di Gioia, Andre Scaffidi et al.

Applying Transformers to irregular time-series typically requires specializations to their baseline architecture, which can result in additional computational overhead and increased method complexity. We present the Rotary Masked Autoencoder (RoMAE), which utilizes the popular Rotary Positional Embedding (RoPE) method for continuous positions. RoMAE is an extension to the Masked Autoencoder (MAE) that enables interpolation and representation learning with multidimensional continuous positional information while avoiding any time-series-specific architectural specializations. We showcase RoMAE's performance on a variety of modalities including irregular and multivariate time-series, images, and audio, demonstrating that RoMAE surpasses specialized time-series architectures on difficult datasets such as the DESC ELAsTiCC Challenge while maintaining MAE's usual performance across other modalities. In addition, we investigate RoMAE's ability to reconstruct the embedded continuous positions, demonstrating that including learned embeddings in the input sequence breaks RoPE's relative position property.

Mingmeng Geng, Roberto Trotta

Based on one million arXiv papers submitted from May 2018 to January 2024, we assess the textual density of ChatGPT's writing style in their abstracts through a statistical analysis of word frequency changes. Our model is calibrated and validated on a mixture of real abstracts and ChatGPT-modified abstracts (simulated data) after a careful noise analysis. The words used for estimation are not fixed but adaptive, including those with decreasing frequency. We find that large language models (LLMs), represented by ChatGPT, are having an increasing impact on arXiv abstracts, especially in the field of computer science, where the fraction of LLM-style abstracts is estimated to be approximately 35%, if we take the responses of GPT-3.5 to one simple prompt, "revise the following sentences", as a baseline. We conclude with an analysis of both positive and negative aspects of the penetration of LLMs into academics' writing style.

Rahul Srinivasan, Marco Crisostomi, Roberto Trotta et al.

We propose a novel method ($floZ$), based on normalizing flows, to estimate the Bayesian evidence (and its numerical uncertainty) from a pre-existing set of samples drawn from the unnormalized posterior distribution. We validate it on distributions whose evidence is known analytically, up to 15 parameter space dimensions, and compare with two state-of-the-art techniques for estimating the evidence: nested sampling (which computes the evidence as its main target) and a $k$-nearest-neighbors technique that produces evidence estimates from posterior samples. Provided representative samples from the target posterior are available, our method is more robust to posterior distributions with sharp features, especially in higher dimensions. For a simple multivariate Gaussian, we demonstrate its accuracy for up to 200 dimensions with $10^5$ posterior samples. $floZ$ has wide applicability, e.g., to estimate evidence from variational inference, Markov Chain Monte Carlo samples, or any other method that delivers samples and their likelihood from the unnormalized posterior density. As a physical application, we use $floZ$ to compute the Bayes factor for the presence of the first overtone in the ringdown signal of the gravitational wave data of GW150914, finding good agreement with nested sampling.

Satvik Mishra, Roberto Trotta, Matteo Viel

We demonstrate the capabilities of probabilistic diffusion models to reduce dramatically the computational cost of expensive hydrodynamical simulations to study the relationship between observable baryonic cosmological probes and dark matter at field level and well into the non-linear regime. We introduce a novel technique, Cosmo-FOLD (Cosmological Fields via Overlap Latent Diffusion) to rapidly generate accurate and arbitrarily large cosmological and astrophysical 3-dimensional fields, conditioned on a given input field. We are able to generate TNG300-2 dark matter density and gas temperature fields from a model trained only on ~1% of the volume (a process we refer to as `upscaling'), reproducing both large scale coherent dark matter filaments and power spectra to within 10% for wavenumbers k <= 5 h Mpc^-1. These results are obtained within a small fraction of the original simulation cost and produced on a single GPU. Beyond one and two points statistics, the bispectrum is also faithfully reproduced through the inclusion of positional encodings. Finally, we demonstrate Cosmo-FOLD's generalisation capabilities by upscaling a CAMELS volume of 25 (Mpc h^-1)^3 to a full TNG300-2 volume of 205 (Mpc h^-1)^3$ with no fine-tuning. Cosmo-FOLD opens the door to full field-level simulation-based inference on cosmological scale.

Maximilian Autenrieth, David A. van Dyk, Roberto Trotta et al.

We propose a simple, statistically principled, and theoretically justified method to improve supervised learning when the training set is not representative, a situation known as covariate shift. We build upon a well-established methodology in causal inference, and show that the effects of covariate shift can be reduced or eliminated by conditioning on propensity scores. In practice, this is achieved by fitting learners within strata constructed by partitioning the data based on the estimated propensity scores, leading to approximately balanced covariates and much-improved target prediction. We demonstrate the effectiveness of our general-purpose method on two contemporary research questions in cosmology, outperforming state-of-the-art importance weighting methods. We obtain the best reported AUC (0.958) on the updated "Supernovae photometric classification challenge", and we improve upon existing conditional density estimation of galaxy redshift from Sloan Data Sky Survey (SDSS) data.