Multiclass Classification without Labels via Posterior Simplex Geometry

In many classification problems, reliable instance-level labels are unavailable. However, it is often possible to construct weakly enriched unlabeled samples: datasets selected by different cuts, sources, populations, or experimental conditions that change latent class proportions without revealing them. Classification without Labels (CWoLa) shows that, in the binary case ($K=2$), a classifier trained to distinguish two impure mixtures with different class proportions can recover an optimal class discriminator without knowing the mixture proportions. We extend this principle to multiclass learning from several unlabeled mixtures ($K>2$), where the learner observes only mixture identity and neither latent class labels nor class-prior matrices. We prove that, for a multiclass mixture model, the Bayes-optimal mixture classifier $g^\star$ maps data points into a $(K-1)$-simplex embedded in mixture-posterior space. The $K$ vertices of this simplex are induced by the latent classes through the unknown mixing matrix. Leveraging this geometry, we propose prior-free procedures that train a standard classifier to distinguish mixture identities and then extract latent class structure using either post-hoc simplex fitting or a bottleneck architecture. Experiments on MNIST, CIFAR-10, and Galaxy10 DECaLS show that mixture identity alone can recover latent classes and their fractions in the mixture. By narrowing the gap between weakly supervised and fully supervised performance, we provide a mathematically grounded, scalable tool for multiclass discovery in label-scarce domains.

Interpretable Human-Label-Free Deep Learning for Real-Bogus Classification with Uncertainty Quantification

Time-domain surveys generate many transient candidates, making Real-Bogus classification a critical step in automated discovery pipelines. Reliable labels are costly, while community labels can be noisy and survey-dependent. We aim to develop a Real-Bogus classification framework that can be trained without human-labeled data using injected transients and bogus-dominated survey data, remains robust under strong class contamination, and provides calibrated uncertainty quantification. We combine simulated transient injections with a contaminated survey class and train a dual-network model using asymmetric co-teaching for classes with different label-noise levels. We evaluate performance on a benchmark subset and analyze the learned representation with latent-space visualization tools. For uncertainty quantification (UQ), we compare MC dropout and deep ensembles and propose a low-cost hybrid strategy that exploits the dual-network setting to improve calibration. We extend the evaluation to the light-curve domain to assess recovery of light-curve classes. The method achieves strong Real-Bogus performance on the labeled subset and remains stable under severe class contamination. It recovers transient light-curve classes with high fidelity, while single-source identification is limited by ambiguity in light-curve-derived labels. Our hybrid UQ approach achieves competitive calibration relative to more expensive ensemble baselines. Latent-space analyses indicate that uncertainty aligns with the decision boundary and reveal subclasses within the bogus population. Our results show that injection-driven, weakly supervised training can enable scalable and consistent Real-Bogus classification without human-labeled training data while providing calibrated uncertainties. The method is suited for transfer to forthcoming surveys by re-running the injection-based training pipeline.

Opportunities in AI/ML for the Rubin LSST Dark Energy Science Collaboration

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) will produce unprecedented volumes of heterogeneous astronomical data (images, catalogs, and alerts) that challenge traditional analysis pipelines. The LSST Dark Energy Science Collaboration (DESC) aims to derive robust constraints on dark energy and dark matter from these data, requiring methods that are statistically powerful, scalable, and operationally reliable. Artificial intelligence and machine learning (AI/ML) are already embedded across DESC science workflows, from photometric redshifts and transient classification to weak lensing inference and cosmological simulations. Yet their utility for precision cosmology hinges on trustworthy uncertainty quantification, robustness to covariate shift and model misspecification, and reproducible integration within scientific pipelines. This white paper surveys the current landscape of AI/ML across DESC's primary cosmological probes and cross-cutting analyses, revealing that the same core methodologies and fundamental challenges recur across disparate science cases. Since progress on these cross-cutting challenges would benefit multiple probes simultaneously, we identify key methodological research priorities, including Bayesian inference at scale, physics-informed methods, validation frameworks, and active learning for discovery. With an eye on emerging techniques, we also explore the potential of the latest foundation model methodologies and LLM-driven agentic AI systems to reshape DESC workflows, provided their deployment is coupled with rigorous evaluation and governance. Finally, we discuss critical software, computing, data infrastructure, and human capital requirements for the successful deployment of these new methodologies, and consider associated risks and opportunities for broader coordination with external actors.