An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric Retrieval

Machine learning is now used in many areas of astrophysics, from detecting exoplanets in Kepler transit signals to removing telescope systematics. Recent work demonstrated the potential of using machine learning algorithms for atmospheric retrieval by implementing a random forest to perform retrievals in seconds that are consistent with the traditional, computationally-expensive nested-sampling retrieval method. We expand upon their approach by presenting a new machine learning model, \texttt{plan-net}, based on an ensemble of Bayesian neural networks that yields more accurate inferences than the random forest for the same data set of synthetic transmission spectra. We demonstrate that an ensemble provides greater accuracy and more robust uncertainties than a single model. In addition to being the first to use Bayesian neural networks for atmospheric retrieval, we also introduce a new loss function for Bayesian neural networks that learns correlations between the model outputs. Importantly, we show that designing machine learning models to explicitly incorporate domain-specific knowledge both improves performance and provides additional insight by inferring the covariance of the retrieved atmospheric parameters. We apply \texttt{plan-net} to the Hubble Space Telescope Wide Field Camera 3 transmission spectrum for WASP-12b and retrieve an isothermal temperature and water abundance consistent with the literature. We highlight that our method is flexible and can be expanded to higher-resolution spectra and a larger number of atmospheric parameters.

Galaxy Zoo: Probabilistic Morphology through Bayesian CNNs and Active Learning

We use Bayesian convolutional neural networks and a novel generative model of Galaxy Zoo volunteer responses to infer posteriors for the visual morphology of galaxies. Bayesian CNN can learn from galaxy images with uncertain labels and then, for previously unlabelled galaxies, predict the probability of each possible label. Our posteriors are well-calibrated (e.g. for predicting bars, we achieve coverage errors of 10.6% within 5 responses and 2.9% within 10 responses) and hence are reliable for practical use. Further, using our posteriors, we apply the active learning strategy BALD to request volunteer responses for the subset of galaxies which, if labelled, would be most informative for training our network. We show that training our Bayesian CNNs using active learning requires up to 35-60% fewer labelled galaxies, depending on the morphological feature being classified. By combining human and machine intelligence, Galaxy Zoo will be able to classify surveys of any conceivable scale on a timescale of weeks, providing massive and detailed morphology catalogues to support research into galaxy evolution.

Differentially Private Continual Learning

Catastrophic forgetting can be a significant problem for institutions that must delete historic data for privacy reasons. For example, hospitals might not be able to retain patient data permanently. But neural networks trained on recent data alone will tend to forget lessons learned on old data. We present a differentially private continual learning framework based on variational inference. We estimate the likelihood of past data given the current model using differentially private generative models of old datasets.

A Unifying Bayesian View of Continual Learning

Some machine learning applications require continual learning - where data comes in a sequence of datasets, each is used for training and then permanently discarded. From a Bayesian perspective, continual learning seems straightforward: Given the model posterior one would simply use this as the prior for the next task. However, exact posterior evaluation is intractable with many models, especially with Bayesian neural networks (BNNs). Instead, posterior approximations are often sought. Unfortunately, when posterior approximations are used, prior-focused approaches do not succeed in evaluations designed to capture properties of realistic continual learning use cases. As an alternative to prior-focused methods, we introduce a new approximate Bayesian derivation of the continual learning loss. Our loss does not rely on the posterior from earlier tasks, and instead adapts the model itself by changing the likelihood term. We call these approaches likelihood-focused. We then combine prior- and likelihood-focused methods into one objective, tying the two views together under a single unifying framework of approximate Bayesian continual learning.

Bayesian Deep Learning for Exoplanet Atmospheric Retrieval

Over the past decade, the study of extrasolar planets has evolved rapidly from plain detection and identification to comprehensive categorization and characterization of exoplanet systems and their atmospheres. Atmospheric retrieval, the inverse modeling technique used to determine an exoplanetary atmosphere's temperature structure and composition from an observed spectrum, is both time-consuming and compute-intensive, requiring complex algorithms that compare thousands to millions of atmospheric models to the observational data to find the most probable values and associated uncertainties for each model parameter. For rocky, terrestrial planets, the retrieved atmospheric composition can give insight into the surface fluxes of gaseous species necessary to maintain the stability of that atmosphere, which may in turn provide insight into the geological and/or biological processes active on the planet. These atmospheres contain many molecules, some of them biosignatures, spectral fingerprints indicative of biological activity, which will become observable with the next generation of telescopes. Runtimes of traditional retrieval models scale with the number of model parameters, so as more molecular species are considered, runtimes can become prohibitively long. Recent advances in machine learning (ML) and computer vision offer new ways to reduce the time to perform a retrieval by orders of magnitude, given a sufficient data set to train with. Here we present an ML-based retrieval framework called Intelligent exoplaNet Atmospheric RetrievAl (INARA) that consists of a Bayesian deep learning model for retrieval and a data set of 3,000,000 synthetic rocky exoplanetary spectra generated using the NASA Planetary Spectrum Generator. Our work represents the first ML retrieval model for rocky, terrestrial exoplanets and the first synthetic data set of terrestrial spectra generated at this scale.

On the Importance of Strong Baselines in Bayesian Deep Learning

Like all sub-fields of machine learning Bayesian Deep Learning is driven by empirical validation of its theoretical proposals. Given the many aspects of an experiment it is always possible that minor or even major experimental flaws can slip by both authors and reviewers. One of the most popular experiments used to evaluate approximate inference techniques is the regression experiment on UCI datasets. However, in this experiment, models which have been trained to convergence have often been compared with baselines trained only for a fixed number of iterations. We find that a well-established baseline, Monte Carlo dropout, when evaluated under the same experimental settings shows significant improvements. In fact, the baseline outperforms or performs competitively with methods that claimed to be superior to the very same baseline method when they were introduced. Hence, by exposing this flaw in experimental procedure, we highlight the importance of using identical experimental setups to evaluate, compare, and benchmark methods in Bayesian Deep Learning.

Evaluating Bayesian Deep Learning Methods for Semantic Segmentation

Deep learning has been revolutionary for computer vision and semantic segmentation in particular, with Bayesian Deep Learning (BDL) used to obtain uncertainty maps from deep models when predicting semantic classes. This information is critical when using semantic segmentation for autonomous driving for example. Standard semantic segmentation systems have well-established evaluation metrics. However, with BDL's rising popularity in computer vision we require new metrics to evaluate whether a BDL method produces better uncertainty estimates than another method. In this work we propose three such metrics to evaluate BDL models designed specifically for the task of semantic segmentation. We modify DeepLab-v3+, one of the state-of-the-art deep neural networks, and create its Bayesian counterpart using MC dropout and Concrete dropout as inference techniques. We then compare and test these two inference techniques on the well-known Cityscapes dataset using our suggested metrics. Our results provide new benchmarks for researchers to compare and evaluate their improved uncertainty quantification in pursuit of safer semantic segmentation.

Evaluating Uncertainty Quantification in End-to-End Autonomous Driving Control

A rise in popularity of Deep Neural Networks (DNNs), attributed to more powerful GPUs and widely available datasets, has seen them being increasingly used within safety-critical domains. One such domain, self-driving, has benefited from significant performance improvements, with millions of miles having been driven with no human intervention. Despite this, crashes and erroneous behaviours still occur, in part due to the complexity of verifying the correctness of DNNs and a lack of safety guarantees. In this paper, we demonstrate how quantitative measures of uncertainty can be extracted in real-time, and their quality evaluated in end-to-end controllers for self-driving cars. To this end we utilise a recent method for gathering approximate uncertainty information from DNNs without changing the network's architecture. We propose evaluation techniques for the uncertainty on two separate architectures which use the uncertainty to predict crashes up to five seconds in advance. We find that mutual information, a measure of uncertainty in classification networks, is a promising indicator of forthcoming crashes.

Towards Robust Evaluations of Continual Learning

The experiments used in current continual learning research do not faithfully assess fundamental challenges of learning continually. We examine standard evaluations and show why these evaluations make some types of continual learning approaches look better than they are. In particular, current evaluations are biased towards continual learning approaches that treat previous models as a prior (e.g., EWC, VCL). We introduce desiderata for continual learning evaluations and explain why their absence creates misleading comparisons. Our analysis calls for a reprioritization of research effort by the community.

BRUNO: A Deep Recurrent Model for Exchangeable Data

We present a novel model architecture which leverages deep learning tools to perform exact Bayesian inference on sets of high dimensional, complex observations. Our model is provably exchangeable, meaning that the joint distribution over observations is invariant under permutation: this property lies at the heart of Bayesian inference. The model does not require variational approximations to train, and new samples can be generated conditional on previous samples, with cost linear in the size of the conditioning set. The advantages of our architecture are demonstrated on learning tasks that require generalisation from short observed sequences while modelling sequence variability, such as conditional image generation, few-shot learning, and anomaly detection.