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Modern neural networks (NNs) often do not generalize well in the presence of a "covariate shift"; that is, in situations where the training and test data distributions differ, but the conditional distribution of classification labels remains unchanged. In such cases, NN generalization can be reduced to a problem of learning more domain-invariant features. Domain adaptation (DA) methods include a range of techniques aimed at achieving this; however, these methods have struggled with the need for extensive hyperparameter tuning, which then incurs significant computational costs. In this work, we introduce SIDDA, an out-of-the-box DA training algorithm built upon the Sinkhorn divergence, that can achieve effective domain alignment with minimal hyperparameter tuning and computational overhead. We demonstrate the efficacy of our method on multiple simulated and real datasets of varying complexity, including simple shapes, handwritten digits, and real astronomical observations. SIDDA is compatible with a variety of NN architectures, and it works particularly well in improving classification accuracy and model calibration when paired with equivariant neural networks (ENNs). We find that SIDDA enhances the generalization capabilities of NNs, achieving up to a $\approx40\%$ improvement in classification accuracy on unlabeled target data. We also study the efficacy of DA on ENNs with respect to the varying group orders of the dihedral group $D_N$, and find that the model performance improves as the degree of equivariance increases. Finally, we find that SIDDA enhances model calibration on both source and target data--achieving over an order of magnitude improvement in the ECE and Brier score. SIDDA's versatility, combined with its automated approach to domain alignment, has the potential to advance multi-dataset studies by enabling the development of highly generalizable models., Comment: 25 pages, 5 figures, 4 tables. code available at: https://github.com/deepskies/SIDDA

The large number of strong lenses discoverable in future astronomical surveys will likely enhance the value of strong gravitational lensing as a cosmic probe of dark energy and dark matter. However, leveraging the increased statistical power of such large samples will require further development of automated lens modeling techniques. We show that deep learning and simulation-based inference (SBI) methods produce informative and reliable estimates of parameter posteriors for strong lensing systems in ground-based surveys. We present the examination and comparison of two approaches to lens parameter estimation for strong galaxy-galaxy lenses -- Neural Posterior Estimation (NPE) and Bayesian Neural Networks (BNNs). We perform inference on 1-, 5-, and 12-parameter lens models for ground-based imaging data that mimics the Dark Energy Survey (DES). We find that NPE outperforms BNNs, producing posterior distributions that are more accurate, precise, and well-calibrated for most parameters. For the 12-parameter NPE model, the calibration is consistently within $<$10\% of optimal calibration for all parameters, while the BNN is rarely within 20\% of optimal calibration for any of the parameters. Similarly, residuals for most of the parameters are smaller (by up to an order of magnitude) with the NPE model than the BNN model. This work takes important steps in the systematic comparison of methods for different levels of model complexity., Comment: Intended for submission to JCAP

Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret exactly. We systematically compare aleatoric uncertainty measured by two UQ techniques, Deep Ensembles (DE) and Deep Evidential Regression (DER). Our method focuses on both zero-dimensional (0D) and two-dimensional (2D) data, to explore how the UQ methods function for different data dimensionalities. We investigate uncertainty injected on the input and output variables and include a method to propagate uncertainty in the case of input uncertainty so that we can compare the predicted aleatoric uncertainty to the known values. We experiment with three levels of noise. The aleatoric uncertainty predicted across all models and experiments scales with the injected noise level. However, the predicted uncertainty is miscalibrated to $\rm{std}(\sigma_{\rm al})$ with the true uncertainty for half of the DE experiments and almost all of the DER experiments. The predicted uncertainty is the least accurate for both UQ methods for the 2D input uncertainty experiment and the high-noise level. While these results do not apply to more complex data, they highlight that further research on post-facto calibration for these methods would be beneficial, particularly for high-noise and high-dimensional settings., Comment: Accepted to the Machine Learning for Physical Sciences workshop at NeurIPS 2024; 11 pages, 2 figures, 2 tables

Modeling strong gravitational lenses is computationally expensive for the complex data from modern and next-generation cosmic surveys. Deep learning has emerged as a promising approach for finding lenses and predicting lensing parameters, such as the Einstein radius. Mean-variance Estimators (MVEs) are a common approach for obtaining aleatoric (data) uncertainties from a neural network prediction. However, neural networks have not been demonstrated to perform well on out-of-domain target data successfully - e.g., when trained on simulated data and applied to real, observational data. In this work, we perform the first study of the efficacy of MVEs in combination with unsupervised domain adaptation (UDA) on strong lensing data. The source domain data is noiseless, and the target domain data has noise mimicking modern cosmology surveys. We find that adding UDA to MVE increases the accuracy on the target data by a factor of about two over an MVE model without UDA. Including UDA also permits much more well-calibrated aleatoric uncertainty predictions. Advancements in this approach may enable future applications of MVE models to real observational data., Comment: Accepted to the Machine Learning for Physical Sciences workshop at NeurIPS 2024; 24 pages, 2 figures, 4 tables

Modeling strong gravitational lenses is prohibitively expensive for modern and next-generation cosmic survey data. Neural posterior estimation (NPE), a simulation-based inference (SBI) approach, has been studied as an avenue for efficient analysis of strong lensing data. However, NPE has not been demonstrated to perform well on out-of-domain target data -- e.g., when trained on simulated data and then applied to real, observational data. In this work, we perform the first study of the efficacy of NPE in combination with unsupervised domain adaptation (UDA). The source domain is noiseless, and the target domain has noise mimicking modern cosmology surveys. We find that combining UDA and NPE improves the accuracy of the inference by 1-2 orders of magnitude and significantly improves the posterior coverage over an NPE model without UDA. We anticipate that this combination of approaches will help enable future applications of NPE models to real observational data., Comment: 20 pages, 2 figures, 2 tables

In this work, we present a scalable approach for inferring the dark energy equation-of-state parameter ($w$) from a population of strong gravitational lens images using Simulation-Based Inference (SBI). Strong gravitational lensing offers crucial insights into cosmology, but traditional Monte Carlo methods for cosmological inference are computationally prohibitive and inadequate for processing the thousands of lenses anticipated from future cosmic surveys. New tools for inference, such as SBI using Neural Ratio Estimation (NRE), address this challenge effectively. By training a machine learning model on simulated data of strong lenses, we can learn the likelihood-to-evidence ratio for robust inference. Our scalable approach enables more constrained population-level inference of $w$ compared to individual lens analysis, constraining $w$ to within $1\sigma$. Our model can be used to provide cosmological constraints from forthcoming strong lens surveys, such as the 4MOST Strong Lensing Spectroscopic Legacy Survey (4SLSLS), which is expected to observe 10,000 strong lenses., Comment: Accepted to the workshop on AI for Science at the 41st International Conference on Machine Learning 2024 (ICML 2024)

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross-dataset tasks (up to $28\%$ better relative error and up to almost an order of magnitude better $\chi^2$). Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data., Comment: Accepted in Machine Learning and the Physical Sciences Workshop at NeurIPS 2023; 9 pages, 2 figures, 1 table

Development of the Rubin Observatory Legacy Survey of Space and Time (LSST) includes a series of Data Challenges (DC) arranged by various LSST Scientific Collaborations (SC) that are taking place during the projects preoperational phase. The AGN Science Collaboration Data Challenge (AGNSCDC) is a partial prototype of the expected LSST AGN data, aimed at validating machine learning approaches for AGN selection and characterization in large surveys like LSST. The AGNSC-DC took part in 2021 focusing on accuracy, robustness, and scalability. The training and the blinded datasets were constructed to mimic the future LSST release catalogs using the data from the Sloan Digital Sky Survey Stripe 82 region and the XMM-Newton Large Scale Structure Survey region. Data features were divided into astrometry, photometry, color, morphology, redshift and class label with the addition of variability features and images. We present the results of four DC submitted solutions using both classical and machine learning methods. We systematically test the performance of supervised (support vector machine, random forest, extreme gradient boosting, artificial neural network, convolutional neural network) and unsupervised (deep embedding clustering) models when applied to the problem of classifying/clustering sources as stars, galaxies or AGNs. We obtained classification accuracy 97.5% for supervised and clustering accuracy 96.0% for unsupervised models and 95.0% with a classic approach for a blinded dataset. We find that variability features significantly improve the accuracy of the trained models and correlation analysis among different bands enables a fast and inexpensive first order selection of quasar candidates, Comment: Accepted by ApJ. 21 pages, 14 figures, 5 tables

The study of quasar light curves poses two problems: inference of the power spectrum and interpolation of an irregularly sampled time series. A baseline approach to these tasks is to interpolate a time series with a Damped Random Walk (DRW) model, in which the spectrum is inferred using Maximum Likelihood Estimation (MLE). However, the DRW model does not describe the smoothness of the time series, and MLE faces many problems in terms of optimization and numerical precision. In this work, we introduce a new stochastic model that we call $\textit{Convolved Damped Random Walk}$ (CDRW). This model introduces a concept of smoothness to a DRW, which enables it to describe quasar spectra completely. We also introduce a new method of inference of Gaussian process parameters, which we call $\textit{Neural Inference}$. This method uses the powers of state-of-the-art neural networks to improve the conventional MLE inference technique. In our experiments, the Neural Inference method results in significant improvement over the baseline MLE (RMSE: $0.318 \rightarrow 0.205$, $0.464 \rightarrow 0.444$). Moreover, the combination of both the CDRW model and Neural Inference significantly outperforms the baseline DRW and MLE in interpolating a typical quasar light curve ($\chi^2$: $0.333 \rightarrow 0.998$, $2.695 \rightarrow 0.981$). The code is published on GitHub., Comment: Machine Learning and the Physical Sciences workshop, NeurIPS 2022

With the advent of billion-galaxy surveys with complex data, the need of the hour is to efficiently model galaxy spectral energy distributions (SEDs) with robust uncertainty quantification. The combination of Simulation-Based inference (SBI) and amortized Neural Posterior Estimation (NPE) has been successfully used to analyse simulated and real galaxy photometry both precisely and efficiently. In this work, we utilise this combination and build on existing literature to analyse simulated noisy galaxy spectra. Here, we demonstrate a proof-of-concept study of spectra that is a) an efficient analysis of galaxy SEDs and inference of galaxy parameters with physically interpretable uncertainties; and b) amortized calculations of posterior distributions of said galaxy parameters at the modest cost of a few galaxy fits with MCMC methods. We utilise the SED generator and inference framework Prospector to generate simulated spectra, and train a dataset of 2$\times$10$^6$ spectra (corresponding to a 5-parameter SED model) with NPE. We show that SBI -- with its combination of fast and amortized posterior estimations -- is capable of inferring accurate galaxy stellar masses and metallicities. Our uncertainty constraints are comparable to or moderately weaker than traditional inverse-modeling with Bayesian MCMC methods (e.g., 0.17 and 0.26 dex in stellar mass and metallicity for a given galaxy, respectively). We also find that our inference framework conducts rapid SED inference (0.9-1.2$\times$10$^5$ galaxy spectra via SBI/SNPE at the cost of 1 MCMC-based fit). With this work, we set the stage for further work that focuses of SED fitting of galaxy spectra with SBI, in the era of JWST galaxy survey programs and the wide-field Roman Space Telescope spectroscopic surveys., Comment: Manuscript accepted in Machine Learning: Science and Technology (MLST) as a Letter (October 10th, 2022); 12 Pages, 6 Figures and 1 Table; Data and code can be found in published github repository

Current ground-based cosmological surveys, such as the Dark Energy Survey (DES), are predicted to discover thousands of galaxy-scale strong lenses, while future surveys, such as the Vera Rubin Observatory Legacy Survey of Space and Time (LSST) will increase that number by 1-2 orders of magnitude. The large number of strong lenses discoverable in future surveys will make strong lensing a highly competitive and complementary cosmic probe. To leverage the increased statistical power of the lenses that will be discovered through upcoming surveys, automated lens analysis techniques are necessary. We present two Simulation-Based Inference (SBI) approaches for lens parameter estimation of galaxy-galaxy lenses. We demonstrate the successful application of Neural Posterior Estimation (NPE) to automate the inference of a 12-parameter lens mass model for DES-like ground-based imaging data. We compare our NPE constraints to a Bayesian Neural Network (BNN) and find that it outperforms the BNN, producing posterior distributions that are for the most part both more accurate and more precise; in particular, several source-light model parameters are systematically biased in the BNN implementation., Comment: Accepted to the Workshop on Machine Learning and the Physical Sciences at the 36th Conference on Neural Information Processing Systems 2022 (NeurIPS 2022)

In the era of big astronomical surveys, our ability to leverage artificial intelligence algorithms simultaneously for multiple datasets will open new avenues for scientific discovery. Unfortunately, simply training a deep neural network on images from one data domain often leads to very poor performance on any other dataset. Here we develop a Universal Domain Adaptation method DeepAstroUDA, capable of performing semi-supervised domain alignment that can be applied to datasets with different types of class overlap. Extra classes can be present in any of the two datasets, and the method can even be used in the presence of unknown classes. For the first time, we demonstrate the successful use of domain adaptation on two very different observational datasets (from SDSS and DECaLS). We show that our method is capable of bridging the gap between two astronomical surveys, and also performs well for anomaly detection and clustering of unknown data in the unlabeled dataset. We apply our model to two examples of galaxy morphology classification tasks with anomaly detection: 1) classifying spiral and elliptical galaxies with detection of merging galaxies (three classes including one unknown anomaly class); 2) a more granular problem where the classes describe more detailed morphological properties of galaxies, with the detection of gravitational lenses (ten classes including one unknown anomaly class)., Comment: 3 figures, 1 table; accepted to Machine Learning and the Physical Sciences - Workshop at the 36th conference on Neural Information Processing Systems (NeurIPS)

Inferring the values and uncertainties of cosmological parameters in a cosmology model is of paramount importance for modern cosmic observations. In this paper, we use the simulation-based inference (SBI) approach to estimate cosmological constraints from a simplified galaxy cluster observation analysis. Using data generated from the Quijote simulation suite and analytical models, we train a machine learning algorithm to learn the probability function between cosmological parameters and the possible galaxy cluster observables. The posterior distribution of the cosmological parameters at a given observation is then obtained by sampling the predictions from the trained algorithm. Our results show that the SBI method can successfully recover the truth values of the cosmological parameters within the 2{\sigma} limit for this simplified galaxy cluster analysis, and acquires similar posterior constraints obtained with a likelihood-based Markov Chain Monte Carlo method, the current state-of the-art method used in similar cosmological studies., Comment: Accepted at the ICML 2022 Workshop on Machine Learning for Astrophysics

Measuring the structural parameters (size, total brightness, light concentration, etc.) of galaxies is a significant first step towards a quantitative description of different galaxy populations. In this work, we demonstrate that a Bayesian Neural Network (BNN) can be used for the inference, with uncertainty quantification, of such morphological parameters from simulated low-surface-brightness galaxy images. Compared to traditional profile-fitting methods, we show that the uncertainties obtained using BNNs are comparable in magnitude, well-calibrated, and the point estimates of the parameters are closer to the true values. Our method is also significantly faster, which is very important with the advent of the era of large galaxy surveys and big data in astrophysics., Comment: 9 pages, 7 figures. accepted to the ICML 2022 Machine Learning for Astrophysics workshop

Methods based on machine learning have recently made substantial inroads in many corners of cosmology. Through this process, new computational tools, new perspectives on data collection, model development, analysis, and discovery, as well as new communities and educational pathways have emerged. Despite rapid progress, substantial potential at the intersection of cosmology and machine learning remains untapped. In this white paper, we summarize current and ongoing developments relating to the application of machine learning within cosmology and provide a set of recommendations aimed at maximizing the scientific impact of these burgeoning tools over the coming decade through both technical development as well as the fostering of emerging communities., Comment: Contribution to Snowmass 2021. 32 pages

With increased adoption of supervised deep learning methods for processing and analysis of cosmological survey data, the assessment of data perturbation effects (that can naturally occur in the data processing and analysis pipelines) and the development of methods that increase model robustness are increasingly important. In the context of morphological classification of galaxies, we study the effects of perturbations in imaging data. In particular, we examine the consequences of using neural networks when training on baseline data and testing on perturbed data. We consider perturbations associated with two primary sources: 1) increased observational noise as represented by higher levels of Poisson noise and 2) data processing noise incurred by steps such as image compression or telescope errors as represented by one-pixel adversarial attacks. We also test the efficacy of domain adaptation techniques in mitigating the perturbation-driven errors. We use classification accuracy, latent space visualizations, and latent space distance to assess model robustness. Without domain adaptation, we find that processing pixel-level errors easily flip the classification into an incorrect class and that higher observational noise makes the model trained on low-noise data unable to classify galaxy morphologies. On the other hand, we show that training with domain adaptation improves model robustness and mitigates the effects of these perturbations, improving the classification accuracy by 23% on data with higher observational noise. Domain adaptation also increases by a factor of ~2.3 the latent space distance between the baseline and the incorrectly classified one-pixel perturbed image, making the model more robust to inadvertent perturbations., Comment: 20 pages, 6 figures, 5 tables; accepted in MLST

Wide-field astronomical surveys are often affected by the presence of undesirable reflections (often known as "ghosting artifacts" or "ghosts") and scattered-light artifacts. The identification and mitigation of these artifacts is important for rigorous astronomical analyses of faint and low-surface-brightness systems. However, the identification of ghosts and scattered-light artifacts is challenging due to a) the complex morphology of these features and b) the large data volume of current and near-future surveys. In this work, we use images from the Dark Energy Survey (DES) to train, validate, and test a deep neural network (Mask R-CNN) to detect and localize ghosts and scattered-light artifacts. We find that the ability of the Mask R-CNN model to identify affected regions is superior to that of conventional algorithms and traditional convolutional neural networks methods. We propose that a multi-step pipeline combining Mask R-CNN segmentation with a classical CNN classifier provides a powerful technique for the automated detection of ghosting and scattered-light artifacts in current and near-future surveys., Comment: 24 pages, 18 figures. Code and data related to this work can be found at: https://github.com/dtanoglidis/DeepGhostBusters

Searches for low-surface-brightness galaxies (LSBGs) in galaxy surveys are plagued by the presence of a large number of artifacts (e.g., objects blended in the diffuse light from stars and galaxies, Galactic cirrus, star-forming regions in the arms of spiral galaxies, etc.) that have to be rejected through time consuming visual inspection. In future surveys, which are expected to collect hundreds of petabytes of data and detect billions of objects, such an approach will not be feasible. We investigate the use of convolutional neural networks (CNNs) for the problem of separating LSBGs from artifacts in survey images. We take advantage of the fact that, for the first time, we have available a large number of labeled LSBGs and artifacts from the Dark Energy Survey, that we use to train, validate, and test a CNN model. That model, which we call DeepShadows, achieves a test accuracy of $92.0 \%$, a significant improvement relative to feature-based machine learning models. We also study the ability to use transfer learning to adapt this model to classify objects from the deeper Hyper-Suprime-Cam survey, and we show that after the model is retrained on a very small sample from the new survey, it can reach an accuracy of $87.6\%$. These results demonstrate that CNNs offer a very promising path in the quest to study the low-surface-brightness universe., Comment: 22 pages, 11 figures. Code and data related to this work can be found at: https://github.com/dtanoglidis/DeepShadows