Self-attributing neural networks (SANNs) present a potential path towards interpretable models for high-dimensional problems, but often face significant trade-offs in performance. In this work, we formally prove a lower bound on errors of per-feature SANNs, whereas group-based SANNs can achieve zero error and thus high performance. Motivated by these insights, we propose Sum-of-Parts (SOP), a framework that transforms any differentiable model into a group-based SANN, where feature groups are learned end-to-end without group supervision. SOP achieves state-of-the-art performance for SANNs on vision and language tasks, and we validate that the groups are interpretable on a range of quantitative and semantic metrics. We further validate the utility of SOP explanations in model debugging and cosmological scientific discovery.

Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather prediction. However, in many settings, the available information at a given time represents only a small fraction of what is needed to predict future states, either due to measurement uncertainty or because only a small fraction of the state can be observed. This is true for example in solar physics, where we can observe the Sun’s surface and atmosphere, but its evolution is driven by internal processes for which we lack direct measurements. In this paper, we tackle the probabilistic prediction of partially observable, long-memory dynamical systems, with applications to solar dynamics and the evolution of active regions. We show that standard inference schemes, such as autoregressive rollouts, fail to capture long-range dependencies in the data, largely because they do not integrate past information effectively. To overcome this, we propose a multiscale inference scheme for diffusion models, tailored to physical processes. Our method generates trajectories that are temporally fine-grained near the present and coarser as we move farther away, which enables capturing long-range temporal dependencies without increasing computational cost. When integrated into a diffusion model, we show that our inference scheme significantly reduces the bias of the predicted distributions and improves rollout stability.

While foundation models have shown promise across a variety of fields, astronomy lacks a unified framework for joint modeling across its highly diverse data modalities. In this paper, we present AION-1, the first large-scale multimodal foundation family of models for astronomy. AION-1 enables arbitrary transformations between heterogeneous data types using a two-stage architecture: modality-specific tokenization followed by transformer-based masked modeling of cross-modal token sequences. Trained on over 200M astronomical objects, AION-1 demonstrates strong performance across regression, classification, generation, and object retrieval tasks. Beyond astronomy, AION-1 provides a scalable blueprint for multimodal scientific foundation models that can seamlessly integrate heterogeneous combinations of real-world observations. Our model release is entirely open source, including the dataset, training script, and weights.

Models trained on a labeled source domain often generalize poorly when deployed on an out-of-distribution (OOD) target domain. In the domain adaptation setting where unlabeled target data is available, self-supervised pretraining (e.g., contrastive learning or masked autoencoding) is a promising method to mitigate this performance drop. Pretraining depends on generic data augmentations (e.g., cropping or masking) to learn representations that generalize across domains, which may not work for all distribution shifts. In this paper, we show on real-world tasks that standard fine-tuning after pretraining does not consistently improve OOD error over simply training from scratch on labeled source data. To better leverage pretraining for distribution shifts, we propose the Connect Later framework, which fine-tunes the model with targeted augmentations designed with knowledge of the shift. Intuitively, pretraining learns good representations within the source and target domains, while fine-tuning with targeted augmentations improves generalization across domains. Connect Later achieves state-of-the-art OOD accuracy while maintaining comparable or better in-distribution accuracy on 4 real-world tasks in wildlife identification (iWildCam-WILDS), tumor detection (Camelyon17-WILDS), and astronomy (AstroClassification, Redshifts).

We present the Multimodal Universe, a large-scale multimodal dataset of scientific astronomical data, compiled specifically to facilitate machine learning research. Overall, our dataset contains hundreds of millions of astronomical observations, constituting 100TB of multi-channel and hyper-spectral images, spectra, multivariate time series, as well as a wide variety of associated scientific measurements and metadata. In addition, we include a range of benchmark tasks representative of standard practices for machine learning methods in astrophysics. This massive dataset will enable the development of large multi-modal models specifically targeted towards scientific applications. All codes used to compile the dataset, and a description of how to access the data is available at https://github.com/MultimodalUniverse/MultimodalUniverse