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At least 55 records · Page 3

Enabling Robust Exoplanet Atmospheric Retrievals with Gaussian Processes

Atmospheric retrievals are essential tools for interpreting exoplanet transmission and eclipse spectra, enabling quantitative constraints on the chemical composition, aerosol properties, and thermal structure of planetary atmospheres. The James Webb Space Telescope (JWST) offers unprecedented spectral precision, resolution, and wavelength coverage, unlocking transformative insights into the formation, evolution, climate, and potential habitability of planetary systems. However, this opportunity is accompanied by challenges: modeling assumptions and unaccounted-for noise or signal sources can bias retrieval outcomes and their interpretation. To address these limitations, we introduce a Gaussian process (GP)-aided atmospheric retrieval framework that flexibly accounts for unmodeled features and correlated noise in exoplanet spectra. We validate this method on synthetic JWST observations, and show that GP-aided retrievals reduce bias in inferred abundances and better capture model–data mismatches than traditional approaches. We also introduce the concept of mean squared error to quantify the trade-off between bias and variance, arguing that this metric more accurately reflects retrieval performance than bias alone. We then reanalyze the NIRISS/SOSS JWST transmission spectrum of WASP-96 b, finding that GP-aided retrievals yield broader constraints on CO 2 and H 2 O, possibly alleviating tension between previous retrieval results and equilibrium predictions. Our GP framework provides precise and accurate constraints while highlighting regions where models fail to explain the data. As JWST matures and future facilities come online, a deeper understanding of the limitations of both data and models will be essential, and GP-enabled retrievals like the one presented here offer a principled path forward.

Rotman, Yoav [Arizona State Univ., Tempe, AZ (Unit

Accelerating Instanton Theory with the Line Integral Nudged Elastic Band Method and Gaussian Process Regression

Quantum tunneling plays a fundamental role in many chemical reactions, particularly proton transfer processes. Ring polymer instanton theory offers a practical framework for computing tunneling rates in complex molecular systems. However, applying the ring polymer instanton method with a potential energy surface generated on-the-fly using electronic structure calculations can be computationally demanding. Here, in this work, we present a new efficient implementation of the ring polymer instanton method by combining the Line Integral Nudged Elastic Band (LI-NEB) approach with Gaussian Process Regression (GPR). We benchmarked this method on prototypical ground-state proton transfer systems, including the benchmark gas-phase hydrogen abstraction reaction H + CH 4 → H 2 + CH 3 , malonaldehyde, and Z-3-amino-propenal (aminopropenal). Our results show that this approach is an order of magnitude faster than traditional instanton algorithms while maintaining excellent agreement with their tunneling rates. This development opens the door to studying proton transfer in larger systems with improved efficiency.

chemical physics

OGLE-2017-BLG-1186: First Application of Asteroseismology and Gaussian Processes to microlensing

We present the analysis of the event OGLE-2017-BLG-1186 from the 2017 Spitzer microlensing campaign. This is a remarkable microlensing event because its source is photometrically bright and variable, which makes it possible to perform an asteroseismic analysis using ground-based data. We find that the source star is an oscillating red giant with average timescale of ∼9 d. The asteroseismic analysis also provides us source properties including the source angular size (∼27 μas) and distance (∼11.5 kpc), which are essential for inferring the properties of the lens. When fitting the light curve, we test the feasibility of Gaussian processes (GPs) in handling the correlated noise caused by the variable source. We find that the parameters from the GP model are generally more loosely constrained than those from the traditional χ(exp 2) minimization method. We note that this event is the first microlensing system for which asteroseismology and GPs have been used to account for the variable source. With both finite-source effect and microlens parallax measured, we find that the lens is likely a ∼0.045 Mʘ brown dwarf at distance ∼9.0 kpc, or a ∼0.073 Mʘ ultracool dwarf at distance ∼9.8 kpc. Combining the estimated lens properties with a Bayesian analysis using a Galactic model, we find a ∼ 35 per cent probability for the lens to be a bulge object and ∼ 65 per cent to be a background disc object.

S.-S. Li

Spatiotemporal Downscaling Model for Solar Irradiance Forecast Using Nearest-Neighbor Random Forest and Gaussian Process

Accurate solar photovoltaic (PV) capacity estimation requires high-resolution, site-specific solar irradiance data to account for localized variability. However, global datasets, such as the National Solar Radiation Database (NSRDB), provide regional averages that fail to capture the fine-scale fluctuations critical for large-scale grid integration. This limitation is particularly relevant in the context of increasing distributed energy resources (DERs) penetration, such as rooftop PV. Additionally, it is critical to the implementation of the U.S. Federal Energy Regulatory Commission (FERC) Order 2222, which facilitates DER participation in U.S. bulk power markets. To address this challenge, this study evaluates Nearest-Neighbor Random Forest (NNRF) and Nearest-Neighbor Gaussian Process (NNGP) models for spatiotemporal downscaling of global solar irradiance data. By leveraging historical irradiance and meteorological data, these models incorporate spatial, temporal, and feature-based correlations to enhance local irradiance predictions. The NNRF model, a machine-learning approach, prioritizes computational efficiency and predictive accuracy, while the NNGP model offers a level of interpretability and prediction uncertainty by numerically quantifying correlations and dependencies in the data. Model validation was conducted using day-ahead predictions. The results showed that the average Goodness of Fit (GoF) of the NNRF model of 90.61% across all eight sites outperformed the GoF of the NNGP of 85.88%. Additionally, the computational speed of NNRF was 2.5 times faster than the NNGP. Finally, the NNGP displayed polynomial scaling while the NNRF scaled linearly with increasing number of nearest neighbors. Additional validation of the model on five sites in Puerto Rico further confirmed the superiority of the NNRF model over the NNGP model. These findings highlight the robustness and computational efficiency of NNRF for large-scale solar irradiance downscaling, making it a strong candidate for improving PV capacity estimation and real-time electricity market integration for DERs.

Asiedu, Shadrack (ORCID:0009000646004826)

Neural pulse frequency modulation of an exponentially correlated Gaussian process

The effect of NPFM (Neural Pulse Frequency Modulation) on a stationary Gaussian input, namely an exponentially correlated Gaussian input, is investigated with special emphasis on the determination of the average number of pulses in unit time, known also as the average frequency of pulse occurrence. For some classes of stationary input processes where the formulation of the appropriate multidimensional Markov diffusion model of the input-plus-NPFM system is possible, the average impulse frequency may be obtained by a generalization of the approach adopted. The results are approximate and numerical, but are in close agreement with Monte Carlo computer simulation results.

Hutchinson, C. E.

A State-Space Approach to Optimal Level-Crossing Prediction for Linear Gaussian Processes

In many complex engineered systems, the ability to give an alarm prior to impending critical events is of great importance. These critical events may have varying degrees of severity, and in fact they may occur during normal system operation. In this article, we investigate approximations to theoretically optimal methods of designing alarm systems for the prediction of level-crossings by a zero-mean stationary linear dynamic system driven by Gaussian noise. An optimal alarm system is designed to elicit the fewest false alarms for a fixed detection probability. This work introduces the use of Kalman filtering in tandem with the optimal level-crossing problem. It is shown that there is a negligible loss in overall accuracy when using approximations to the theoretically optimal predictor, at the advantage of greatly reduced computational complexity. I

Martin, Rodney Alexander

Two-dimensional Gaussian processes applied to the determination of contact between lubricated rolling surfaces

The effectiveness of a lubricant film preventing metallic contact between two rolling surfaces (such as in ball bearings) as a function of surface roughness parameters was investigated. The parameters considered are the spectral moments of the two-dimensional surface obtained by superposition of the two rolling surfaces. The peak height distribution, estimation of one-dimensional profile spectral moments, and the estimation of two-dimensional surface moments from several profile measurements were considered. Also given is an asymptotic relation between the mean film thickness and contact occurrences.

Sidik, S. M.

Two-dimensional Gaussian processes applied to the determination of contact between lubricated rolling surfaces

Theoretical investigation of how effectively a lubricant film prevents metallic contact between two rolling surfaces (such as in ball bearings) as a function of surface roughness parameters. The parameters considered are the spectral moments of the two-dimensional surface obtained by superposition of the two rolling surfaces. We consider the peak height distribution, estimation of one-dimensional profile spectral moments, and the estimation of two-dimensional surface moments from several profile measurements are taken into account. Also given is an asymptotic relation between the mean film thickness and contact occurrences.

Sidik, S. M.