Graph Neural Networks (GNNs) have achieved remarkable success across various graph-based tasks but remain highly sensitive to distribution shifts. In this work, we focus on a prevalent yet underexplored phenomenon in graph generalization, Minimal Shift Flip (MSF)—where test samples that slightly deviate from the training distribution are abruptly misclassified. To interpret this phenomenon, we revisit MSF through the lens of Sharpness-Aware Minimization (SAM), which characterizes the local stability and sharpness of the loss landscape while providing a theoretical foundation for modeling generalization error. To quantify loss sharpness, we introduce the concept of Local Robust Radius, measuring the smallest perturbation required to flip a prediction and establishing a theoretical link between local stability and generalization. Building on this perspective, we further observe a continual decrease in the robust radius during training, indicating weakened local stability and an increasingly sharp loss landscape that gives rise to MSF. To jointly solve the MSF phenomenon and the intractability of radius, we develop an energy-based formulation that is theoretically proven to be monotonically correlated with the robust radius, offering a tractable and principled objective for modeling flatness and stability. Building on these insights, we propose an energy-driven generative augmentation framework (E2A) that leverages energy-guided latent perturbations to generate pseudo-OOD samples and enhance model generalization. Extensive experiments across multiple benchmarks demonstrate that E2A consistently improves graph OOD generalization, outperforming state-of-the-art baselines. Code is available at https://github.com/anders1123/E2A

Rationalization empowers deep learning models with self-explaining capabilities through a cooperative game, where a generator selects a semantically consistent subset of the input as a rationale, and a subsequent predictor makes predictions based on the selected rationale. In this paper, we discover that rationalization is prone to a problem named rationale shift, which arises from the algorithmic bias of the cooperative game. Rationale shift refers to a situation where the semantics of the selected rationale may deviate from the original input, but the predictor still produces accurate predictions based on the deviation, resulting in a compromised generator with misleading feedback. To address this issue, we first demonstrate the importance of the alignment between the rationale and the full input through both empirical observations and theoretical analysis. Subsequently, we introduce a novel approach called DAR (Discriminatively Aligned Rationalization), which utilizes an auxiliary module pretrained on the full input to discriminatively align the selected rationale and the original input. We theoretically illustrate how DAR accomplishes the desired alignment, thereby overcoming the rationale shift problem. The experiments on two widely used real-world benchmarks show that the proposed method significantly improves the explanation quality (measured by the overlap between the model-selected explanation and the human-annotated rationale) as compared to state-of-the-art techniques. Additionally, results on two synthetic settings further validate the effectiveness of DAR in addressing the rationale shift problem.

A self-explaining rationalization model is generally constructed by a cooperative game where a generator selects the most human-intelligible pieces from the input text as rationales, followed by a predictor that makes predictions based on the selected rationales. However, such a cooperative game may incur the degeneration problem where the predictor overfits to the uninformative pieces generated by a not yet well-trained generator and in turn, leads the generator to converge to a sub-optimal model that tends to select senseless pieces. In this paper, we theoretically bridge degeneration with the predictor's Lipschitz continuity. Then, we empirically propose a simple but effective method named DR, which can naturally and flexibly restrain the Lipschitz constant of the predictor, to address the problem of degeneration. The main idea of DR is to decouple the generator and predictor to allocate them with asymmetric learning rates. A series of experiments conducted on two widely used benchmarks have verified the effectiveness of the proposed method. Codes: https://github.com/jugechengzi/Rationalization-DR.

Logistic regression (LR) is the most commonly used loss function in multi-label image classification. However, it suffers from class imbalance problem caused by the huge difference in quantity between positive and negative samples as well as between different classes. First, we find that feeding randomly generated noise samples into an LR classifier is an effective way to detect class imbalances, and further define an informative imbalance metric named inference tendency based on noise sample analysis. Second, we design an efficient moving average based method for calculating inference tendency, which can be easily done during training with negligible overhead. Third, two novel rectification methods called extremum shift (ES) and tendency constraint (TC) are designed to offset or constrain inference tendency in the loss function, and mitigate class imbalances significantly. Finally, comparative experiments with Resnet on Microsoft COCO, NUS-WIDE and DeepFashion demonstrate the effectiveness of inference tendency and the superiority of our approach over the baseline LR and several state-of-the-art alternatives.