GeoGAE: Scalable Graph-Level Autoencoding via Hyperball Cloud Representations

We propose MABLE (Masked Autoencoding with Bi-Lipschitz Decoding for Embeddings and Graph Metric Learning), a self-supervised framework for learning node and graph embeddings from large, heterogeneous graphs, demonstrated here on geospatial mineral-exploration data. MABLE combines masked reconstruction with fixed cosine-similarity losses that align matched augmented views while keeping unpaired embeddings well spread. A bi-Lipschitz feature decoder ties a low-dimensional reconstruction component of each node embedding to feature similarity, while matched-node consistency shapes the remaining context used by graph pooling. Lipschitz-controlled pooling helps stabilize graph-level representations under perturbations of retained node embeddings, while augmentation alignment trains robustness to masking, node dropping, and sampling variation. Across local copper and regional Arabian Shield studies, MABLE embeddings provide complementary downstream signal and produce coherent embedding-derived layers for hypothesis generation without learned discriminators or hard-negative selection.

Scene graph representations enable structured visual understanding by modeling objects and their relationships, and have been widely used for multiview and 3D scene reasoning. Existing methods such as MSG learn scene graph embeddings in Euclidean space using contrastive learning and attention based association. However, Euclidean geometry does not explicitly capture hierarchical entailment relationships between places and objects, limiting the structural consistency of learned representations. To address this, we propose Hyperbolic Scene Graph (HSG), which learns scene graph embeddings in hyperbolic space where hierarchical relationships are naturally encoded through geometric distance. Our results show that HSG improves hierarchical structure quality while maintaining strong retrieval performance. The largest gains are observed in graph level metrics: HSG achieves a PP IoU of 33.17 and the highest Graph IoU of 33.51, outperforming the best AoMSG variant (25.37) by 8.14, highlighting the effectiveness of hyperbolic representation learning for scene graph modeling. Code: https://github.com/AIGeeksGroup/HSG.

We introduce GraViti, a transformer-based graph-level variational autoencoder that encodes entire graphs into single, fixed-dimensional latent vectors rather than per-node embeddings, yielding a graph-level latent space that supports smooth interpolation, property-guided search, and other downstream tasks beyond the reach of node-level approaches. GraViti achieves state-of-the-art reconstruction accuracy on large molecular graph datasets while offering competitive single-step generative performance. Our central finding concerns where permutation invariance is needed in such a model, and where it is not. The encoder remains permutation-invariant throughout, ensuring the model generalizes to graphs regardless of input order. The reconstruction loss, however, does not need to be: when training data is provided in a consistent node order, comparing predictions to targets directly in that order, without a graph-matching step, is sufficient. Relaxing invariance in the loss alone lets GraViti avoid the cubic-cost matching step required by prior graph-level autoencoders, reducing complexity to quadratic while improving reconstruction fidelity. We show the resulting latent space is chemically meaningful, supporting controlled molecular editing and property optimization, recovering established chemical trends, and enabling direct regression of graph-level properties from latent embeddings.