Uncertainty Estimation and Generalization Bounds for Modern Deep Learning
arXiv:2606. 13818v1 Announce Type: new Abstract: This thesis investigates how Bayesian principles can deepen our understanding of modern deep learning systems.
The paper introduces Latent-Posterior Alignment (LPA), a phenomenon where predictive uncertainty in Graph Neural Networks with Bayesian output layers decreases as latent representations align with lower‑variance posterior directions, even without posterior variance contraction. Through interventional experiments, the authors demonstrate LPA’s functional role in shaping uncertainty and propose Alignment‑Guided Learning (AGL) to explicitly promote this alignment during training. AGL reduces predictive uncertainty, preserves accuracy, and improves structural calibration, ensuring model confidence reflects data density.
arXiv:2606. 13818v1 Announce Type: new Abstract: This thesis investigates how Bayesian principles can deepen our understanding of modern deep learning systems.
arXiv:2609.13655v1 Announce Type: new Abstract: On evolving graphs, node classifiers must satisfy two key requirements: inductive generalization to newly arriving nodes under distribution shift and c...
The paper introduces Variational Bayesian Flow Network (VBFN), a graph generation model that lifts Bayesian updates to a joint Gaussian belief family with structured precisions, enabling coupled node and edge updates in a single fusion step. By constructing sample‑agnostic sparse precisions from a representation‑induced dependency graph, VBFN avoids label leakage while enforcing node‑edge consistency. Experiments on synthetic and molecular graph datasets show that VBFN improves fidelity and diversity over baseline methods.
arXiv:2605. 00600v2 Announce Type: replace-cross Abstract: Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling.
arXiv:2606. 10461v1 Announce Type: cross Abstract: Text-attributed Graphs (TAGs) incorporate textual node attributes with graph structures to describe rich relational semantics.
arXiv:2606. 06293v1 Announce Type: new Abstract: Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting.
arXiv:2505. 13087v2 Announce Type: replace-cross Abstract: We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping edges.
arXiv:2412. 04177v2 Announce Type: replace Abstract: Recently, there has been an increasing interest in performing post-hoc uncertainty estimation about the predictions of pre-trained deep neural networks (DNNs).
arXiv:2606. 11831v1 Announce Type: cross Abstract: Neural relational inference (NRI) methods discover interaction graphs from trajectories through variational reasoning on discrete potential edges.
arXiv:2505. 02743v3 Announce Type: replace Abstract: Real-world data contains aleatoric uncertainty - irreducible noise arising from imperfect measurements or from incomplete knowledge about the data generation process.
arXiv:2606. 15479v1 Announce Type: cross Abstract: Steerable convolutional neural networks (Steerable-CNNs) guarantee SE(3)-equivariance by parameterizing kernels as linear combinations of steerable basis functions, but their deterministic nature precludes uncertainty quantification - limiting their use in settings where confidence estimates are essential.
arXiv:2602. 17071v3 Announce Type: replace-cross Abstract: Graph neural networks frequently encounter significant performance degradation when confronted with structural noise or non-homophilous topologies.