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Ingo P. Waldmann

Publications and source records attributed to Ingo P. Waldmann.

At least 19 recordsLinked to original sources

Adaptive Online Emulation for Accelerating Complex Physical Simulations

Complex physical simulations often require trade-offs between model fidelity and computational feasibility. We introduce Adaptive Online Emulation (AOE), which dynamically learns neural network surrogates during simulation execution to accelerate expensive components. Unlike existing methods requiring extensive offline training, AOE uses Online Sequential Extreme Learning Machines (OS-ELMs) to continuously adapt emulators along the actual simulation trajectory. We employ a numerically stable variant of the OS-ELM using cumulative sufficient statistics to avoid matrix inversion instabilities. AOE integrates with time-stepping frameworks through a three-phase strategy balancing data collection, updates, and surrogate usage, while requiring orders of magnitude less training data than conventional surrogate approaches. Demonstrated on a 1D atmospheric model of exoplanet GJ1214b, AOE achieves 11.1 times speedup (91% time reduction) across 200,000 timesteps while maintaining accuracy, potentially making previously intractable high-fidelity time-stepping simulations computationally feasible.

physics.comp-ph

Investigating the Influence of Asymmetric Errors on Retrievals of Exoplanet Transmission Spectra

In studies of exoplanet atmospheres using transmission spectroscopy, Bayesian retrievals are the most popular form of analysis. In these procedures it is common to adopt a Gaussian likelihood. However, this implicitly assumes that the upper and lower error bars on the spectral points are equal. With recent observations from the James Webb Space Telescope (JWST) offering higher quality of data, it is worth revisiting this assumption to understand the impact that an asymmetry between the error bars may have on retrieved parameters. In this study, we challenge the approximation by comparing retrievals using a symmetric, Gaussian likelihood, and an asymmetric, split normal likelihood. We find that the influence of this assumption is minimal at the scales of asymmetry observed in JWST observations of WASP-39 b (with a maximum asymmetry of 77%) but we show that it would become critical with greater levels of asymmetry (e.g. an average asymmetry of 80%). Furthermore, we stress the importance of the shape of the asymmetric distribution and the difficulty in fitting this distribution from three summary statistics (the median and an upper and lower bound on the transit depth). An asymmetric likelihood sampler will incorrectly predict parameters if the shape of the likelihood does not match that of the underlying noise distribution even when the levels of asymmetry are equal in both. Overall, we find that it is safe to use the Gaussian likelihood assumption for current datasets but it is worth considering the potential bias if greater asymmetries are observed.

astro-ph.EP

Extreme Learning Machines for Exoplanet Simulations: A Faster, Lightweight Alternative to Deep Learning

Increasing resolution and coverage of astrophysical and climate data necessitates increasingly sophisticated models, often pushing the limits of computational feasibility. While emulation methods can reduce calculation costs, the neural architectures typically used--optimised via gradient descent--are themselves computationally expensive to train, particularly in terms of data generation requirements. This paper investigates the utility of the Extreme Learning Machine (ELM) as a lightweight, non-gradient-based machine learning algorithm for accelerating complex physical models. We evaluate ELM surrogate models in two test cases with different data structures: (i) sequentially-structured data, and (ii) image-structured data. For test case (i), where the number of samples $N$ >> the dimensionality of input data $d$, ELMs achieve remarkable efficiency, offering a 100,000$\times$ faster training time and a 40$\times$ faster prediction speed compared to a Bi-Directional Recurrent Neural Network (BIRNN), whilst improving upon BIRNN test performance. For test case (ii), characterised by $d >> N$ and image-based inputs, a single ELM was insufficient, but an ensemble of 50 individual ELM predictors achieves comparable accuracy to a benchmark Convolutional Neural Network (CNN), with a 16.4$\times$ reduction in training time, though costing a 6.9$\times$ increase in prediction time. We find different sample efficiency characteristics between the test cases: in test case (i) individual ELMs demonstrate superior sample efficiency, requiring only 0.28% of the training dataset compared to the benchmark BIRNN, while in test case (ii) the ensemble approach requires 78% of the data used by the CNN to achieve comparable results--representing a trade-off between sample efficiency and model complexity.

astro-ph.EP

The effect of spectroscopic binning on atmospheric retrievals

With the JWST offering higher resolution data in space-based transmission spectroscopy, understanding the capabilities of our current atmospheric retrieval pipelines is essential. These new data cover wider wavelength ranges and at much higher spectral resolution than previous instruments have been able to offer. Therefore, it is often appealing to bin spectra to fewer points, better constrained in their transit depth, before using them as inputs for atmospheric retrievals. As such, we produce a simulation replicating the observations of WASP-39b by the Near Infrared Spectrograph (NIRSpec) instrument on board JWST using the PRISM dispersion element. Then, we assess the accuracy and consistency of retrievals while varying both the resolution and the average photometric error of this simulated spectrum. We repeat this analysis on three different simulation setups where each includes an opaque cloud layer at a different height in the atmosphere. In agreement with previous studies, we find that a much greater resolution is needed in the case of a high cloud deck since features are already heavily muted by the presence of the clouds. In the other two cases, there are large 'safe zones' in the parameter space where accurate estimations are made. If these maps can be generalized, they could be used to inform future observations on how long to observe a given target in order to achieve the most accurate retrieval results. We also find that the resolution required to fully resolve the degeneracies between the parameters contributing to the spectra is much greater than that needed to constrain the marginalized posterior distributions for each parameter individually.

astro-ph.EP

Enhancing 3D Planetary Atmosphere Simulations with a Surrogate Radiative Transfer Model

This work introduces an approach to enhancing the computational efficiency of 3D atmospheric simulations by integrating a machine-learned surrogate model into the OASIS global circulation model (GCM). Traditional GCMs, which are based on repeatedly numerically integrating physical equations governing atmospheric processes across a series of time-steps, are time-intensive, leading to compromises in spatial and temporal resolution of simulations. This research improves upon this limitation, enabling higher resolution simulations within practical timeframes. Speeding up 3D simulations holds significant implications in multiple domains. Firstly, it facilitates the integration of 3D models into exoplanet inference pipelines, allowing for robust characterisation of exoplanets from a previously unseen wealth of data anticipated from JWST and post-JWST instruments. Secondly, acceleration of 3D models will enable higher resolution atmospheric simulations of Earth and Solar System planets, enabling more detailed insights into their atmospheric physics and chemistry. Our method replaces the radiative transfer module in OASIS with a recurrent neural network-based model trained on simulation inputs and outputs. Radiative transfer is typically one of the slowest components of a GCM, thus providing the largest scope for overall model speed-up. The surrogate model was trained and tested on the specific test case of the Venusian atmosphere, to benchmark the utility of this approach in the case of non-terrestrial atmospheres. This approach yields promising results, with the surrogate-integrated GCM demonstrating above 99.0% accuracy and 147 factor GPU speed-up of the entire simulation compared to using the matched original GCM under Venus-like conditions.

astro-ph.EP

Operational range bounding of spectroscopy models with anomaly detection

Safe operation of machine learning models requires architectures that explicitly delimit their operational ranges. We evaluate the ability of anomaly detection algorithms to provide indicators correlated with degraded model performance. By placing acceptance thresholds over such indicators, hard boundaries are formed that define the model's coverage. As a use case, we consider the extraction of exoplanetary spectra from transit light curves, specifically within the context of ESA's upcoming Ariel mission. Isolation Forests are shown to effectively identify contexts where prediction models are likely to fail. Coverage/error trade-offs are evaluated under conditions of data and concept drift. The best performance is seen when Isolation Forests model projections of the prediction model's explainability SHAP values.

cs.LG

Is the atmosphere of the ultra-hot Jupiter WASP-121b variable?

We present a comprehensive analysis of the Hubble Space Telescope observations of the atmosphere of WASP-121 b, a ultra-hot Jupiter. After reducing the transit, eclipse, and phase-curve observations with a uniform methodology and addressing the biases from instrument systematics, sophisticated atmospheric retrievals are used to extract robust constraints on the thermal structure, chemistry, and cloud properties of the atmosphere. Our analysis shows that the observations are consistent with a strong thermal inversion beginning at ~0.1 bar on the dayside, solar to subsolar metallicity Z (i.e., -0.77 < log(Z) < 0.05), and super-solar C/O ratio (i.e., 0.59 < C/O < 0.87). More importantly, utilizing the high signal-to-noise ratio and repeated observations of the planet, we identify the following unambiguous time-varying signals in the data: i) a shift of the putative hotspot offset between the two phase-curves and ii) varying spectral signatures in the transits and eclipses. By simulating the global dynamics of WASP-121 b atmosphere at high-resolution, we show that the identified signals are consistent with quasi-periodic weather patterns, hence atmospheric variability, with signatures at the level probed by the observations (~5% to ~10%) that change on a timescale of ~5 planet days; in the simulations, the weather patterns arise from the formation and movement of storms and fronts, causing hot (as well as cold) patches of atmosphere to deform, separate, and mix in time.

astro-ph.EP

Retrieval study of cool, directly imaged exoplanet 51 Eri b

Retrieval methods are a powerful analysis technique for modelling exoplanetary atmospheres by estimating the bulk physical and chemical properties that combine in a forward model to best-fit an observed spectrum, and they are increasingly being applied to observations of directly-imaged exoplanets. We have adapted TauREx3, the Bayesian retrieval suite, for the analysis of near-infrared spectrophotometry from directly-imaged gas giant exoplanets and brown dwarfs. We demonstrate TauREx3's applicability to sub-stellar atmospheres by presenting results for brown dwarf benchmark GJ 570D which are consistent with previous retrieval studies, whilst also exhibiting systematic biases associated with the presence of alkali lines. We also present results for the cool exoplanet 51 Eri b, the first application of a free chemistry retrieval analysis to this object, using spectroscopic observations from GPI and SPHERE. While our retrieval analysis is able to explain spectroscopic and photometric observations without employing cloud extinction, we conclude this may be a result of employing a flexible temperature-pressure profile which is able to mimic the presence of clouds. We present Bayesian evidence for an ammonia detection with a 2.7$σ$ confidence, the first indication of ammonia in an exoplanetary atmosphere. This is consistent with this molecule being present in brown dwarfs of a similar spectral type. We demonstrate the chemical similarities between 51 Eri b and GJ 570D in relation to their retrieved molecular abundances. Finally, we show that overall retrieval conclusions for 51 Eri b can vary when employing different spectral data and modelling components, such as temperature-pressure and cloud structures.

astro-ph.EP

ESA-Ariel Data Challenge NeurIPS 2022: Inferring Physical Properties of Exoplanets From Next-Generation Telescopes

The study of extra-solar planets, or simply, exoplanets, planets outside our own Solar System, is fundamentally a grand quest to understand our place in the Universe. Discoveries in the last two decades have re-defined our understanding of planets, and helped us comprehend the uniqueness of our very own Earth. In recent years the focus has shifted from planet detection to planet characterisation, where key planetary properties are inferred from telescope observations using Monte Carlo-based methods. However, the efficiency of sampling-based methodologies is put under strain by the high-resolution observational data from next generation telescopes, such as the James Webb Space Telescope and the Ariel Space Mission. We are delighted to announce the acceptance of the Ariel ML Data Challenge 2022 as part of the NeurIPS competition track. The goal of this challenge is to identify a reliable and scalable method to perform planetary characterisation. Depending on the chosen track, participants are tasked to provide either quartile estimates or the approximate distribution of key planetary properties. To this end, a synthetic spectroscopic dataset has been generated from the official simulators for the ESA Ariel Space Mission. The aims of the competition are three-fold. 1) To offer a challenging application for comparing and advancing conditional density estimation methods. 2) To provide a valuable contribution towards reliable and efficient analysis of spectroscopic data, enabling astronomers to build a better picture of planetary demographics, and 3) To promote the interaction between ML and exoplanetary science. The competition is open from 15th June and will run until early October, participants of all skill levels are more than welcomed!

astro-ph.EP

Five key exoplanet questions answered via the analysis of 25 hot Jupiter atmospheres in eclipse

Population studies of exoplanets are key to unlocking their statistical properties. So far the inferred properties have been mostly limited to planetary, orbital and stellar parameters extracted from, e.g., Kepler, radial velocity, and GAIA data. More recently an increasing number of exoplanet atmospheres have been observed in detail from space and the ground. Generally, however, these atmospheric studies have focused on individual planets, with the exception of a couple of works which have detected the presence of water vapor and clouds in populations of gaseous planets via transmission spectroscopy. Here, using a suite of retrieval tools, we analyse spectroscopic and photometric data of 25 hot Jupiters, obtained with the Hubble and Spitzer Space Telescopes via the eclipse technique. By applying the tools uniformly across the entire set of 25 planets, we extract robust trends in the thermal structure and chemical properties of hot Jupiters not obtained in past studies. With the recent launch of JWST and the upcoming missions Twinkle, and Ariel, population based studies of exoplanet atmospheres, such as the one presented here, will be a key approach to understanding planet characteristics, formation, and evolution in our galaxy.

astro-ph.EP

A retrieval challenge exercise for the Ariel mission

The Ariel mission, due to launch in 2029, will obtain spectroscopic information for 1000 exoplanets, providing an unprecedented opportunity for comparative exoplanetology. Retrieval codes - parameteric atmospheric models coupled with an inversion algorithm - represent the tool of choice for interpreting Ariel data. Ensuring that reliable and consistent results can be produced by these tools is a critical preparatory step for the mission. Here, we present the results of a retrieval challenge. We use five different exoplanet retrieval codes to analyse the same synthetic datasets, and test a) the ability of each to recover the correct input solution and b) the consistency of the results. We find that generally there is very good agreement between the five codes, and in the majority of cases the correct solutions are recovered. This demonstrates the reproducibility of retrievals for transit spectra of exoplanets, even when codes are not previously benchmarked against each other.

astro-ph.EP

A comparison of chemical models of exoplanet atmospheres enabled by TauREx 3.1

Thermochemical equilibrium is one of the most commonly used assumptions in current exoplanet retrievals. As the James Webb Space Telescope (JWST) and Ariel launch draw near, assessing the underlying biases and assumptions made when applying self-consistent chemistry into spectral retrievals is crucial. Here we use the flexibility of TauREx 3.1 to cross-compare three state of the art chemical equilibrium codes: ACE, FastChem and GGchem. We simulate JWST spectra for ACE, FastChem, GGchem and GGchem+condensation containing only C, H, O, N elements and spectra for FastChem, GGchem and GGchem+condensation with a more extensive range of elements giving seven simulated JWST spectra in total and then cross-retrieve giving a total of 49 retrievals. Our analysis demonstrates that like-for-like, all chemical codes retrieve the correct parameters to <1% of the truth. However, retrievals, where the contained elements do not match the truth, parameters such as metallicity deviate by 20% while maintaining extremely low uncertainties <1% giving false confidence. This point is of major importance for future analyses on JWST and Ariel, highlighting that self-consistent chemical scheme that do not employ the proper assumptions (missing species, fixed elemental ratios, condensation) are at risk of confidently biasing interpretations. Free chemistry retrievals employing parametric descriptions of the chemical profiles can provide alternative unbiased explorations.

astro-ph.EP

Disentangling Atmospheric Compositions of K2-18 b with Next Generation Facilities

Recent analysis of the planet K2-18b has shown the presence of water vapour in its atmosphere. While the H2O detection is significant, the Hubble Space Telescope (HST) WFC3 spectrum suggests three possible solutions of very different nature which can equally match the data. The three solutions are a primary cloudy atmosphere with traces of water vapour (cloudy sub-Neptune), a secondary atmosphere with a substantial amount (up to 50% Volume Mixing Ratio) of H2O (icy/water world) and/or an undetectable gas such as N2 (super-Earth). Additionally, the atmospheric pressure and the possible presence of a liquid/solid surface cannot be investigated with currently available observations. In this paper we used the best fit parameters from Tsiaras et al. (2019) to build James Webb Space Telescope (JWST) and Ariel simulations of the three scenarios. We have investigated 18 retrieval cases, which encompass the three scenarios and different observational strategies with the two observatories. Retrieval results show that twenty combined transits should be enough for the Ariel mission to disentangle the three scenarios, while JWST would require only two transits if combining NIRISS and NIRSpec data. This makes K2-18b an ideal target for atmospheric follow-ups by both facilities and highlights the capabilities of the next generation of space-based infrared observatories to provide a complete picture of low mass planets.

astro-ph.EP

TauREx III: A fast, dynamic and extendable framework for retrievals

TauREx 3 is the next generation of the TauREx exoplanet atmospheric retrieval framework for Windows, Mac, and Linux. It is a complete rewrite with a full Python stack that makes it easy-to-use, high-performance, dynamic, and flexible. The new main TauREx program is built with modularity in mind, allowing the user to augment its functionalities with custom code and efficiently perform retrievals on custom parameters. We achieve this result by dynamic determination of fitting parameters, whereby TauREx 3 can detect new parameters for retrieval from user code through a simple interface. TauREx 3 can act as a library with a simple 'import taurex' command, providing a rich set of classes and functions related to atmospheric modelling. A 10x speedup in forward model computations is achieved as compared to the previous version with a sixfold reduction in retrieval times while maintaining robust results. TauREx 3 is intended as a standalone, all-in-one package for retrievals while the TauREx 3 Python library can build or augment a user's custom data pipeline easily.

astro-ph.IM

Peeking inside the Black Box: Interpreting Deep Learning Models for Exoplanet Atmospheric Retrievals

Deep learning algorithms are growing in popularity in the field of exoplanetary science due to their ability to model highly non-linear relations and solve interesting problems in a data-driven manner. Several works have attempted to perform fast retrievals of atmospheric parameters with the use of machine learning algorithms like deep neural networks (DNNs). Yet, despite their high predictive power, DNNs are also infamous for being 'black boxes'. It is their apparent lack of explainability that makes the astrophysics community reluctant to adopt them. What are their predictions based on? How confident should we be in them? When are they wrong and how wrong can they be? In this work, we present a number of general evaluation methodologies that can be applied to any trained model and answer questions like these. In particular, we train three different popular DNN architectures to retrieve atmospheric parameters from exoplanet spectra and show that all three achieve good predictive performance. We then present an extensive analysis of the predictions of DNNs, which can inform us - among other things - of the credibility limits for atmospheric parameters for a given instrument and model. Finally, we perform a perturbation-based sensitivity analysis to identify to which features of the spectrum the outcome of the retrieval is most sensitive. We conclude that for different molecules, the wavelength ranges to which the DNN's predictions are most sensitive, indeed coincide with their characteristic absorption regions. The methodologies presented in this work help to improve the evaluation of DNNs and to grant interpretability to their predictions.

astro-ph.EP

An exploration of model degeneracies with a unified phase curve retrieval analysis: The light and dark sides of WASP-43 b

The analysis of exoplanetary atmospheres often relies upon the observation of transit or eclipse events. While very powerful, these snapshots provide mainly 1-dimensional information on the planet structure and do not easily allow precise latitude-longitude characterisations. The phase curve technique, which consists of measuring the planet emission throughout its entire orbit, can break this limitation and provide useful 2-dimensional thermal and chemical constraints on the atmosphere. As of today however, computing performances have limited our ability to perform unified retrieval studies on the full set of observed spectra from phase curve observations at the same time. Here, we present a new phase curve model that enables fast, unified retrieval capabilities. We apply our technique to the combined phase curve data from the Hubble and Spitzer space telescopes of the hot-Jupiter WASP-43 b. We tested different scenarios and discussed the dependence of our solution to different assumptions in the model. Our more comprehensive approach suggests that multiple interpretation of this dataset are possible but our more complex model is consistent with the presence of thermal inversions and a metal rich atmosphere, contrasting with previous data analyses, although this likely depends on the Spitzer data reduction. The detailed constraints extracted here demonstrate the importance of developing and understanding advanced phase curve techniques, which we believe will unlock access to a richer picture of exoplanet atmospheres.

astro-ph.EP

PyLightcurve-torch: a transit modelling package for deep learning applications in PyTorch

We present a new open source python package, based on PyLightcurve and PyTorch, tailored for efficient computation and automatic differentiation of exoplanetary transits. The classes and functions implemented are fully vectorised, natively GPU-compatible and differentiable with respect to the stellar and planetary parameters. This makes PyLightcurve-torch suitable for traditional forward computation of transits, but also extends the range of possible applications with inference and optimisation algorithms requiring access to the gradients of the physical model. This endeavour is aimed at fostering the use of deep learning in exoplanets research, motivated by an ever increasing amount of stellar light curves data and various incentives for the improvement of detection and characterisation techniques.

astro-ph.EP

Lessons Learned from the 1st ARIEL Machine Learning Challenge: Correcting Transiting Exoplanet Light Curves for Stellar Spots

The last decade has witnessed a rapid growth of the field of exoplanet discovery and characterisation. However, several big challenges remain, many of which could be addressed using machine learning methodology. For instance, the most prolific method for detecting exoplanets and inferring several of their characteristics, transit photometry, is very sensitive to the presence of stellar spots. The current practice in the literature is to identify the effects of spots visually and correct for them manually or discard the affected data. This paper explores a first step towards fully automating the efficient and precise derivation of transit depths from transit light curves in the presence of stellar spots. The methods and results we present were obtained in the context of the 1st Machine Learning Challenge organized for the European Space Agency's upcoming Ariel mission. We first present the problem, the simulated Ariel-like data and outline the Challenge while identifying best practices for organizing similar challenges in the future. Finally, we present the solutions obtained by the top-5 winning teams, provide their code and discuss their implications. Successful solutions either construct highly non-linear (w.r.t. the raw data) models with minimal preprocessing -deep neural networks and ensemble methods- or amount to obtaining meaningful statistics from the light curves, constructing linear models on which yields comparably good predictive performance.

astro-ph.IM