GATTA: Graph Active Learning with Test-Time Augmentation

Test-time augmentation (TTA) has proven effective for improving model robustness and uncertainty estimation in computer vision, yet its application to graph-structured data remains largely unexplored. We introduce GATTA (Graph Active Learning with Test-Time Augmentation), a framework for enhancing active learning by aggregating predictions across multiple augmented views to produce more reliable uncertainty estimates. To address the challenge of label-preserving graph augmentations, GATTA incorporates a consistency-based filtering mechanism that discards augmented views yielding unreliable predictions. We systematically evaluate GATTA across multiple graph datasets, GNN architectures, and acquisition strategies. Our results show that simple uncertainty-based methods, such as Entropy and Least Confidence, benefit most from TTA, achieving performance competitive with more sophisticated and computationally expensive approaches. GATTA generalizes across architectures, outperforms model-side ensemble methods such as MC Dropout. We further show that GATTA scales efficiently with both ensemble size and graph size. Extensive analysis of augmentation types, strengths, and filtering strategies provides practical guidelines for effective deployment. Our findings demonstrate that augmenting simple methods with TTA offers a more efficient path to strong active learning performance than engineering complex acquisition functions, enabling practitioners to achieve competitive results with lower computational overhead and reduced implementation complexity.

Overcoming Shortcut Learning in Graph Neural Networks through Active Explanation Guidance

Graph Neural Networks (GNNs) can solve prediction tasks by unintentionally exploiting shortcuts---that is, edges, nodes, and features that correlate with but are not causal for the prediction---which compromise their reliability in out-of-distribution tasks. We introduce XIGL, an architecture-agnostic human-in-the-loop strategy for removing such shortcuts from GNNs. Our key insight is twofold. On the one hand, reliance on shortcuts can be detected by inspecting GNN explanations. On the other hand, once made aware of such shortcuts, sufficiently expert users can provide tailored corrective feedback, which helps deconfound the model. XIGL supports any query strategy; however, since corrective feedback can be expensive to acquire, we develop an active learning strategy for prioritizing explanations that are more likely to display shortcut behavior, lowering annotation and cognitive costs. We showcase the effectiveness of XIGL, including both existing and proposed explanation-based strategies, on several GNN architectures. Our implementation is available online.

Active Learning on Adversarially Corrupted Graphs

Motivated by real-world scenarios where malicious entities tamper with existing networks, we define a model where an adversary seeks to hide a set of \emph{corrupted vertices} inside a graph $G^*$. To this end, the adversary can add edges between the corrupted vertices, as well as edges between the corrupted vertices and $G^*$, and its power is then measured by the size of the \emph{neighborhood} of the corrupted vertices in $G^*$. Our goal is to design an active learning algorithm that efficiently finds the subset of corrupted vertices using a small number of label queries. We devise an efficient algorithm that approximately recovers the corrupted vertices with a query complexity that depends polynomially on both the power of the adversary and the \emph{vertex expansion} of $G^*$, a fundamental measure of graph connectivity. At the heart of this result is a polynomial-time algorithm, obtained by carefully adapting sum-of-squares algorithms for approximating minimum expansion, that finds a set with small vertex expansion subject to cardinality constraints. To the best of our knowledge, this is the first time that the vertex expansion is shown to play a key role in determining the query complexity of active learning algorithms robust to structural adversarial attacks.

ALINC: Active Learning for Inductive Node Classification via Graph Sampling

Active learning (AL) for node classification typically focuses on selecting the most informative nodes for annotation within one or a few large graphs (e.g., in social network analysis). However, in other domains, such as molecular chemistry or electronic design automation, datasets consist of thousands of independent graphs. In many of these inductive settings, annotating an individual node requires a full-graph analysis, which effectively yields the remaining node labels on-the-fly. Therefore, these scenarios require AL strategies that select entire graphs instead of single nodes, a problem which has not been tackled in the literature so far. Thus, we introduce ALINC, an AL framework for inductive node classification via graph sampling. It bridges the existing methodological gap by elevating node-level utility measures to graph-level selection criteria through various aggregation mechanisms. In an extensive benchmark including ten strategies, three aggregation methods, and four datasets, we identify CoreSet, TypiClust, and BADGE as the top-performing graph sampling strategies. Our detailed analysis further reveals that the choice of the aggregation method is pivotal, as it substantially affects model performance and annotation costs. Finally, we demonstrate the effectiveness of ALINC in two use case studies: site-of-metabolism prediction in molecules and design automation of printed circuit board schematics.