SIDDA: SInkhorn Dynamic Domain Adaptation for Image Classification with Equivariant Neural Networks

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.

pathfinder: A Semantic Framework for Literature Review and Knowledge Discovery in Astronomy

The exponential growth of astronomical literature poses significant challenges for researchers navigating and synthesizing general insights or even domain-specific knowledge. We present Pathfinder, a machine learning framework designed to enable literature review and knowledge discovery in astronomy, focusing on semantic searching with natural language instead of syntactic searches with keywords. Utilizing state-of-the-art large language models (LLMs) and a corpus of 350,000 peer-reviewed papers from the Astrophysics Data System (ADS), Pathfinder offers an innovative approach to scientific inquiry and literature exploration. Our framework couples advanced retrieval techniques with LLM-based synthesis to search astronomical literature by semantic context as a complement to currently existing methods that use keywords or citation graphs. It addresses complexities of jargon, named entities, and temporal aspects through time-based and citation-based weighting schemes. We demonstrate the tool's versatility through case studies, showcasing its application in various research scenarios. The system's performance is evaluated using custom benchmarks, including single-paper and multi-paper tasks. Beyond literature review, Pathfinder offers unique capabilities for reformatting answers in ways that are accessible to various audiences (e.g. in a different language or as simplified text), visualizing research landscapes, and tracking the impact of observatories and methodologies. This tool represents a significant advancement in applying AI to astronomical research, aiding researchers at all career stages in navigating modern astronomy literature.

Scaling Laws for Galaxy Images

We present the first systematic investigation of supervised scaling laws outside of an ImageNet-like context - on images of galaxies. We use 840k galaxy images and over 100M annotations by Galaxy Zoo volunteers, comparable in scale to Imagenet-1K. We find that adding annotated galaxy images provides a power law improvement in performance across all architectures and all tasks, while adding trainable parameters is effective only for some (typically more subjectively challenging) tasks. We then compare the downstream performance of finetuned models pretrained on either ImageNet-12k alone vs. additionally pretrained on our galaxy images. We achieve an average relative error rate reduction of 31% across 5 downstream tasks of scientific interest. Our finetuned models are more label-efficient and, unlike their ImageNet-12k-pretrained equivalents, often achieve linear transfer performance equal to that of end-to-end finetuning. We find relatively modest additional downstream benefits from scaling model size, implying that scaling alone is not sufficient to address our domain gap, and suggest that practitioners with qualitatively different images might benefit more from in-domain adaption followed by targeted downstream labelling.

Rare Galaxy Classes Identified In Foundation Model Representations

We identify rare and visually distinctive galaxy populations by searching for structure within the learned representations of pretrained models. We show that these representations arrange galaxies by appearance in patterns beyond those needed to predict the pretraining labels. We design a clustering approach to isolate specific local patterns, revealing groups of galaxies with rare and scientifically-interesting morphologies.

Deep Learning Segmentation of Spiral Arms and Bars

We present the first deep learning model for segmenting galactic spiral arms and bars. In a blinded assessment by expert astronomers, our predicted spiral arm masks are preferred over both current automated methods (99% of evaluations) and our original volunteer labels (79% of evaluations). Experts rated our spiral arm masks as `mostly good' to `perfect' in 89% of evaluations. Bar lengths trivially derived from our predicted bar masks are in excellent agreement with a dedicated crowdsourcing project. The pixelwise precision of our masks, previously impossible at scale, will underpin new research into how spiral arms and bars evolve.

A New Task: Deriving Semantic Class Targets for the Physical Sciences

We define deriving semantic class targets as a novel multi-modal task. By doing so, we aim to improve classification schemes in the physical sciences which can be severely abstracted and obfuscating. We address this task for upcoming radio astronomy surveys and present the derived semantic radio galaxy morphology class targets.

Towards Galaxy Foundation Models with Hybrid Contrastive Learning

New astronomical tasks are often related to earlier tasks for which labels have already been collected. We adapt the contrastive framework BYOL to leverage those labels as a pretraining task while also enforcing augmentation invariance. For large-scale pretraining, we introduce GZ-Evo v0.1, a set of 96.5M volunteer responses for 552k galaxy images plus a further 1.34M comparable unlabelled galaxies. Most of the 206 GZ-Evo answers are unknown for any given galaxy, and so our pretraining task uses a Dirichlet loss that naturally handles unknown answers. GZ-Evo pretraining, with or without hybrid learning, improves on direct training even with plentiful downstream labels (+4% accuracy with 44k labels). Our hybrid pretraining/contrastive method further improves downstream accuracy vs. pretraining or contrastive learning, especially in the low-label transfer regime (+6% accuracy with 750 labels).

Radio Galaxy Zoo: Using semi-supervised learning to leverage large unlabelled data-sets for radio galaxy classification under data-set shift

In this work we examine the classification accuracy and robustness of a state-of-the-art semi-supervised learning (SSL) algorithm applied to the morphological classification of radio galaxies. We test if SSL with fewer labels can achieve test accuracies comparable to the supervised state-of-the-art and whether this holds when incorporating previously unseen data. We find that for the radio galaxy classification problem considered, SSL provides additional regularisation and outperforms the baseline test accuracy. However, in contrast to model performance metrics reported on computer science benchmarking data-sets, we find that improvement is limited to a narrow range of label volumes, with performance falling off rapidly at low label volumes. Additionally, we show that SSL does not improve model calibration, regardless of whether classification is improved. Moreover, we find that when different underlying catalogues drawn from the same radio survey are used to provide the labelled and unlabelled data-sets required for SSL, a significant drop in classification performance is observered, highlighting the difficulty of applying SSL techniques under dataset shift. We show that a class-imbalanced unlabelled data pool negatively affects performance through prior probability shift, which we suggest may explain this performance drop, and that using the Frechet Distance between labelled and unlabelled data-sets as a measure of data-set shift can provide a prediction of model performance, but that for typical radio galaxy data-sets with labelled sample volumes of O(1000), the sample variance associated with this technique is high and the technique is in general not sufficiently robust to replace a train-test cycle.

Quantifying Uncertainty in Deep Learning Approaches to Radio Galaxy Classification

In this work we use variational inference to quantify the degree of uncertainty in deep learning model predictions of radio galaxy classification. We show that the level of model posterior variance for individual test samples is correlated with human uncertainty when labelling radio galaxies. We explore the model performance and uncertainty calibration for different weight priors and suggest that a sparse prior produces more well-calibrated uncertainty estimates. Using the posterior distributions for individual weights, we demonstrate that we can prune 30% of the fully-connected layer weights without significant loss of performance by removing the weights with the lowest signal-to-noise ratio. A larger degree of pruning can be achieved using a Fisher information based ranking, but both pruning methods affect the uncertainty calibration for Fanaroff-Riley type I and type II radio galaxies differently. Like other work in this field, we experience a cold posterior effect, whereby the posterior must be down-weighted to achieve good predictive performance. We examine whether adapting the cost function to accommodate model misspecification can compensate for this effect, but find that it does not make a significant difference. We also examine the effect of principled data augmentation and find that this improves upon the baseline but also does not compensate for the observed effect. We interpret this as the cold posterior effect being due to the overly effective curation of our training sample leading to likelihood misspecification, and raise this as a potential issue for Bayesian deep learning approaches to radio galaxy classification in future.

Practical Galaxy Morphology Tools from Deep Supervised Representation Learning

Astronomers have typically set out to solve supervised machine learning problems by creating their own representations from scratch. We show that deep learning models trained to answer every Galaxy Zoo DECaLS question learn meaningful semantic representations of galaxies that are useful for new tasks on which the models were never trained. We exploit these representations to outperform existing approaches at several practical tasks crucial for investigating large galaxy samples. The first task is identifying galaxies of similar morphology to a query galaxy. Given a single galaxy assigned a free text tag by humans (e.g. `#diffuse'), we can find galaxies matching that tag for most tags. The second task is identifying the most interesting anomalies to a particular researcher. Our approach is 100\% accurate at identifying the most interesting 100 anomalies (as judged by Galaxy Zoo 2 volunteers). The third task is adapting a model to solve a new task using only a small number of newly-labelled galaxies. Models fine-tuned from our representation are better able to identify ring galaxies than models fine-tuned from terrestrial images (ImageNet) or trained from scratch. We solve each task with very few new labels; either one (for the similarity search) or several hundred (for anomaly detection or fine-tuning). This challenges the longstanding view that deep supervised methods require new large labelled datasets for practical use in astronomy. To help the community benefit from our pretrained models, we release our fine-tuning code zoobot. Zoobot is accessible to researchers with no prior experience in deep learning.