Cecilia Garraffo

Mayeul Aubin, Carolina Cuesta-Lazaro, Ethan Tregidga et al.

Advancements in space telescopes have opened new avenues for gathering vast amounts of data on exoplanet atmosphere spectra. However, accurately extracting chemical and physical properties from these spectra poses significant challenges due to the non-linear nature of the underlying physics. This paper presents novel machine learning models developed by the AstroAI team for the Ariel Data Challenge 2023, where one of the models secured the top position among 293 competitors. Leveraging Normalizing Flows, our models predict the posterior probability distribution of atmospheric parameters under different atmospheric assumptions. Moreover, we introduce an alternative model that exhibits higher performance potential than the winning model, despite scoring lower in the challenge. These findings highlight the need to reevaluate the evaluation metric and prompt further exploration of more efficient and accurate approaches for exoplanet atmosphere spectra analysis. Finally, we present recommendations to enhance the challenge and models, providing valuable insights for future applications on real observational data. These advancements pave the way for more effective and timely analysis of exoplanet atmospheric properties, advancing our understanding of these distant worlds.

Manuel Pérez-Carrasco, Maya Nasr, Zhan Zhang et al.

Automated detection and masking of individual methane plumes from satellite imagery is important for operational emission attribution and quantification. We present a machine learning framework for plume detection from MethaneSAT retrieved column-averaged dry-air mole fractions of methane. We address two core challenges: the scarcity of labeled MethaneSAT data and the need for inference reliability across diverse atmospheric and surface conditions. We first demonstrate that Mask R-CNN with a ResNet-50 backbone outperforms U-Net semantic segmentation on both MethaneAIR (an airborne version of MethaneSAT) and MethaneSAT data, with pixel-level F1 score gains of 10.49 and 5.48 respectively. To address MethaneSAT data scarcity, we evaluate three cross-sensor transfer strategies leveraging MethaneAIR flights and synthetic plumes. Mask R-CNN with ResNet-50 fine-tuned from MethaneAIR pre-trained weights is the most effective strategy, achieving instance-level precision of 0.60 and a near-perfect recall of 0.98 at the baseline operating point. A physics-informed post-processing pipeline converts detections into two operationally distinct modes. The first is a high-sensitivity mode that applies morphological filtering and proximity-based merging for comprehensive emission screening, achieving precision of 0.71 and recall of 0.94. The second is a high-precision mode that additionally applies a distribution-based classifier for confident source attribution, achieving precision of 0.92 and recall of 0.70. Manual review of detections classified as false positives against our wavelet-based ground truth labels reveals that a meaningful fraction of cases correspond to real methane enhancements excluded by conservative labeling criteria, indicating that precision values reported are lower bounds on true detection performance... Our data and code are available at: https://doi.org/10.7910/DVN/FR959H

Core Francisco Park, Manuel Perez-Carrasco, Caroline Nowlan et al.

Geostationary hyperspectral satellites generate terabytes of data daily, creating critical challenges for storage, transmission, and distribution to the scientific community. We present a variational autoencoder (VAE) approach that achieves x514 compression of NASA's TEMPO satellite hyperspectral observations (1028 channels, 290-490nm) with reconstruction errors 1-2 orders of magnitude below the signal across all wavelengths. This dramatic data volume reduction enables efficient archival and sharing of satellite observations while preserving spectral fidelity. Beyond compression, we investigate to what extent atmospheric information is retained in the compressed latent space by training linear and nonlinear probes to extract Level-2 products (NO2, O3, HCHO, cloud fraction). Cloud fraction and total ozone achieve strong extraction performance (R^2 = 0.93 and 0.81 respectively), though these represent relatively straightforward retrievals given their distinct spectral signatures. In contrast, tropospheric trace gases pose genuine challenges for extraction (NO2 R^2 = 0.20, HCHO R^2 = 0.51) reflecting their weaker signals and complex atmospheric interactions. Critically, we find the VAE encodes atmospheric information in a semi-linear manner - nonlinear probes substantially outperform linear ones - and that explicit latent supervision during training provides minimal improvement, revealing fundamental encoding challenges for certain products. This work demonstrates that neural compression can dramatically reduce hyperspectral data volumes while preserving key atmospheric signals, addressing a critical bottleneck for next-generation Earth observation systems. Code - https://github.com/cfpark00/Hyperspectral-VAE

Fiona Redmen, Ethan Tregidga, James F. Steiner et al.

Black hole X-ray binaries (BHBs) can be studied with spectral fitting to provide physical constraints on accretion in extreme gravitational environments. Traditional methods of spectral fitting such as Markov Chain Monte Carlo (MCMC) face limitations due to computational times. We introduce a probabilistic model, utilizing a variational autoencoder with a normalizing flow, trained to adopt a physical latent space. This neural network produces predictions for spectral-model parameters as well as their full probability distributions. Our implementations result in a significant improvement in spectral reconstructions over a previous deterministic model while performing three orders of magnitude faster than traditional methods.

Congyue Deng, Brandon Y. Feng, Cecilia Garraffo et al.

Machine learning frameworks for physical problems must capture and enforce physical constraints that preserve the structure of dynamical systems. Many existing approaches achieve this by integrating physical operators into neural networks. While these methods offer theoretical guarantees, they face two key limitations: (i) they primarily model local relations between adjacent time steps, overlooking longer-range or higher-level physical interactions, and (ii) they focus on forward simulation while neglecting broader physical reasoning tasks. We propose the Denoising Hamiltonian Network (DHN), a novel framework that generalizes Hamiltonian mechanics operators into more flexible neural operators. DHN captures non-local temporal relationships and mitigates numerical integration errors through a denoising mechanism. DHN also supports multi-system modeling with a global conditioning mechanism. We demonstrate its effectiveness and flexibility across three diverse physical reasoning tasks with distinct inputs and outputs.

Nicolò Oreste Pinciroli Vago, Rocco Di Tella, Carolina Cuesta-Lázaro et al.

Astronomers have acquired vast repositories of multimodal data, including images, spectra, and time series, complemented by decades of literature that analyzes astrophysical sources. Still, these data sources are rarely systematically integrated. This work introduces a contrastive learning framework designed to align X-ray spectra with domain knowledge extracted from scientific literature, facilitating the development of shared multimodal representations. Establishing this connection is inherently complex, as scientific texts encompass a broader and more diverse physical context than spectra. We propose a contrastive pipeline that achieves a 20% Recall@1% when retrieving texts from spectra, proving that a meaningful alignment between these modalities is not only possible but capable of accelerating the interpretation of rare or poorly understood sources. Furthermore, the resulting shared latent space effectively encodes physically significant information. By fusing spectral and textual data, we improve the estimation of 20 physical variables by 16-18% over unimodal spectral baselines. Our results indicate that a Mixture of Experts (MoE) strategy, which leverages both unimodal and shared representations, yields superior performance. Finally, outlier analysis within the multimodal latent space identifies high-priority targets for follow-up investigation, including a candidate pulsating ULX (PULX) and a gravitational lens system. Importantly, this framework can be extended to other scientific domains where aligning observational data with existing literature is possible.

Manuel Perez-Carrasco, Maya Nasr, Sebastien Roche et al.

Effective cloud and cloud shadow detection is a critical prerequisite for accurate retrieval of concentrations of atmospheric methane or other trace gases in hyperspectral remote sensing. This challenge is especially pertinent for MethaneSAT and for its airborne companion mission, MethaneAIR. In this study, we use machine learning methods to address the cloud and cloud shadow detection problem for sensors with these high spatial resolutions instruments. Cloud and cloud shadows in remote sensing data need to be effectively screened out as they bias methane retrievals in remote sensing imagery and impact the quantification of emissions. We deploy and evaluate conventional techniques including Iterative Logistic Regression (ILR) and Multilayer Perceptron (MLP), with advanced deep learning architectures, namely UNet and a Spectral Channel Attention Network (SCAN) method. Our results show that conventional methods struggle with spatial coherence and boundary definition, affecting the detection of clouds and cloud shadows. Deep learning models substantially improve detection quality: UNet performs best in preserving spatial structure, while SCAN excels at capturing fine boundary details. Notably, SCAN surpasses UNet on MethaneSAT data, underscoring the benefits of incorporating spectral attention for satellite specific features. This in depth assessment of various disparate machine learning techniques demonstrates the strengths and effectiveness of advanced deep learning architectures in providing robust, scalable solutions for clouds and cloud shadow screening towards enhancing methane emission quantification capacity of existing and next generation hyperspectral missions. Our data and code is publicly available at https://doi.org/10.7910/DVN/IKLZOJ

Andrew Ferguson, Marisa LaFleur, Lars Ruthotto et al. · stanford

This community paper developed out of the NSF Workshop on the Future of Artificial Intelligence (AI) and the Mathematical and Physics Sciences (MPS), which was held in March 2025 with the goal of understanding how the MPS domains (Astronomy, Chemistry, Materials Research, Mathematical Sciences, and Physics) can best capitalize on, and contribute to, the future of AI. We present here a summary and snapshot of the MPS community's perspective, as of Spring/Summer 2025, in a rapidly developing field. The link between AI and MPS is becoming increasingly inextricable; now is a crucial moment to strengthen the link between AI and Science by pursuing a strategy that proactively and thoughtfully leverages the potential of AI for scientific discovery and optimizes opportunities to impact the development of AI by applying concepts from fundamental science. To achieve this, we propose activities and strategic priorities that: (1) enable AI+MPS research in both directions; (2) build up an interdisciplinary community of AI+MPS researchers; and (3) foster education and workforce development in AI for MPS researchers and students. We conclude with a summary of suggested priorities for funding agencies, educational institutions, and individual researchers to help position the MPS community to be a leader in, and take full advantage of, the transformative potential of AI+MPS.