arXiv Machine Learning

Universal Sample-Based Embeddings of Higher-Order Objects

arXiv Machine Learning
3d ago

Implicit Feature Reweighting for Label-Free Graph Generalization

SCARCE is a label‑free representation‑learning framework that improves graph‑level out‑of‑distribution generalization. It uses an environment partition of training graphs—derived from metadata or self‑supervised clustering—to warm‑start a variational graph autoencoder and then applies an adversarial confusion mechanism that prevents a discriminator from distinguishing environments while preserving reconstruction fidelity. Theoretical analysis shows that this environment confusion contracts environment‑discriminative directions, effectively reweighting features to reduce reliance on spurious correlations, and experiments on synthetic and DrugOOD datasets demonstrate state‑of‑the‑art OOD performance among label‑free methods.

By Tianjun Yao, Chen Xi, Xinyang Li, Lixian Zhong
arXiv Machine Learning
Oct 3

Higher-Order Positional Encodings for Graph Representation Learning

The paper introduces higher-order positional encodings that enrich graph representations by incorporating topological information from lifted incidence structures, without altering existing graph learning backbones. It theoretically shows that these encodings can mix graph Laplacian frequencies beyond what scalar spectral filters achieve, and demonstrates their effectiveness on Graph Transformers for datasets like ZINC and synthetic benchmarks. The approach bridges graph positional encodings and topological deep learning, enabling standard models to exploit higher-order interactions.

By Caleb Stam, Aagrim Hoysal, Sanjukta Krishnagopal
arXiv Machine Learning
Sep 1

Context-Aware Interpretable Representations for Retrieval and Graph Convolutional Network Classification

The paper introduces an unsupervised framework that merges manifold learning with rank‑based interpretable graph embeddings to address the Geometric and Interpretability Gaps in visual representation learning. By first analyzing contextual information on the dataset manifold and then producing sparse, self‑explainable embeddings, the method achieves dimensionality reduction while preserving or improving performance in image retrieval and semi‑supervised Graph Convolutional Network classification. Experiments across varied datasets confirm that these context‑aware representations maintain high downstream effectiveness.

By Thiago C\'esar Castilho Almeida, Gustavo Rosseto Let\'icio, Vinicius Atsushi Sato Kawai, Daniel Carlos Guimar\~aes Pedronette
arXiv Machine Learning
Aug 28

Aitchison Embeddings for Learning Compositional Graph Representations

The paper introduces a compositional graph embedding framework based on Aitchison geometry, where nodes are represented as simplex-valued mixtures over latent archetypal factors. By embedding these mixtures using isometric log-ratio coordinates, the method preserves Aitchison distances while allowing unconstrained optimization in Euclidean space, yielding intrinsically interpretable embeddings. The approach achieves competitive performance on node classification and link prediction tasks and enables principled component restriction through subcompositional coherence, allowing analysis of how archetype groups influence representations and predictions.

By Nikolaos Nakis, Chrysoula Kosma, Panagiotis Promponas, Michail Chatzianastasis, Giannis Nikolentzos