Alexander Möllers

Alexander Möllers, Alexander Immer, Elvin Isufi et al.

Graph contrastive learning has shown great promise when labeled data is scarce, but large unlabeled datasets are available. However, it often does not take uncertainty estimation into account. We show that a variational Bayesian neural network approach can be used to improve not only the uncertainty estimates but also the downstream performance on semi-supervised node-classification tasks. Moreover, we propose a new measure of uncertainty for contrastive learning, that is based on the disagreement in likelihood due to different positive samples.

Alexander Möllers, Alexander Immer, Vincent Fortuin et al.

Simplicial complexes prove effective in modeling data with multiway dependencies, such as data defined along the edges of networks or within other higher-order structures. Their spectrum can be decomposed into three interpretable subspaces via the Hodge decomposition, resulting foundational in numerous applications. We leverage this decomposition to develop a contrastive self-supervised learning approach for processing simplicial data and generating embeddings that encapsulate specific spectral information.Specifically, we encode the pertinent data invariances through simplicial neural networks and devise augmentations that yield positive contrastive examples with suitable spectral properties for downstream tasks. Additionally, we reweight the significance of negative examples in the contrastive loss, considering the similarity of their Hodge components to the anchor. By encouraging a stronger separation among less similar instances, we obtain an embedding space that reflects the spectral properties of the data. The numerical results on two standard edge flow classification tasks show a superior performance even when compared to supervised learning techniques. Our findings underscore the importance of adopting a spectral perspective for contrastive learning with higher-order data.

Alexander Möllers, Marvin Sextro, Julius Hense et al.

Multiple Instance Learning (MIL) addresses problems where supervision is available at the level of bags of instances and has been successfully applied in fields ranging from computational pathology to satellite imagery. Nevertheless, existing algorithms struggle in the low-label regime that characterizes many real-world applications. Flexible models overfit and rigid ones fail to adapt to the task at hand. We show that pretraining an in-context learner with a Perceiver-style architecture on synthetic data yields a model that can solve new tasks from a handful of labeled bags. At inference time, classification happens in a single forward pass and requires no gradient updates. We propose and investigate different synthetic data generators for bag-structured data and find that they capture complementary inductive biases. A model pretrained on a mixture of these generators inherits their per-task strengths and achieves the best average performance across twelve MIL benchmarks, outperforming supervised baselines that require task-specific training.