Through the Dual-Prism: A Spectral Perspective on Graph Data Augmentation for Graph Classification

Graph Neural Networks (GNNs) have become the preferred tool to process graph data, with their efficacy being boosted through graph data augmentation techniques. Despite the evolution of augmentation methods, issues like graph property distortions and restricted structural changes persist. This leads to the question: Is it possible to develop more property-conserving and structure-sensitive augmentation methods? Through a spectral lens, we investigate the interplay between graph properties, their augmentation, and their spectral behavior, and found that keeping the low-frequency eigenvalues unchanged can preserve the critical properties at a large scale when generating augmented graphs. These observations inform our introduction of the Dual-Prism (DP) augmentation method, comprising DP-Noise and DP-Mask, which adeptly retains essential graph properties while diversifying augmented graphs. Extensive experiments validate the efficiency of our approach, providing a new and promising direction for graph data augmentation.

Generator Born from Classifier

In this paper, we make a bold attempt toward an ambitious task: given a pre-trained classifier, we aim to reconstruct an image generator, without relying on any data samples. From a black-box perspective, this challenge seems intractable, since it inevitably involves identifying the inverse function for a classifier, which is, by nature, an information extraction process. As such, we resort to leveraging the knowledge encapsulated within the parameters of the neural network. Grounded on the theory of Maximum-Margin Bias of gradient descent, we propose a novel learning paradigm, in which the generator is trained to ensure that the convergence conditions of the network parameters are satisfied over the generated distribution of the samples. Empirical validation from various image generation tasks substantiates the efficacy of our strategy.

Robust Long-Tailed Learning via Label-Aware Bounded CVaR

Data in the real-world classification problems are always imbalanced or long-tailed, wherein the majority classes have the most of the samples that dominate the model training. In such setting, the naive model tends to have poor performance on the minority classes. Previously, a variety of loss modifications have been proposed to address the long-tailed leaning problem, while these methods either treat the samples in the same class indiscriminatingly or lack a theoretical guarantee. In this paper, we propose two novel approaches based on CVaR (Conditional Value at Risk) to improve the performance of long-tailed learning with a solid theoretical ground. Specifically, we firstly introduce a Label-Aware Bounded CVaR (LAB-CVaR) loss to overcome the pessimistic result of the original CVaR, and further design the optimal weight bounds for LAB-CVaR theoretically. Based on LAB-CVaR, we additionally propose a LAB-CVaR with logit adjustment (LAB-CVaR-logit) loss to stabilize the optimization process, where we also offer the theoretical support. Extensive experiments on real-world datasets with long-tailed label distributions verify the superiority of our proposed methods.

Distribution Shift Inversion for Out-of-Distribution Prediction

Machine learning society has witnessed the emergence of a myriad of Out-of-Distribution (OoD) algorithms, which address the distribution shift between the training and the testing distribution by searching for a unified predictor or invariant feature representation. However, the task of directly mitigating the distribution shift in the unseen testing set is rarely investigated, due to the unavailability of the testing distribution during the training phase and thus the impossibility of training a distribution translator mapping between the training and testing distribution. In this paper, we explore how to bypass the requirement of testing distribution for distribution translator training and make the distribution translation useful for OoD prediction. We propose a portable Distribution Shift Inversion algorithm, in which, before being fed into the prediction model, the OoD testing samples are first linearly combined with additional Gaussian noise and then transferred back towards the training distribution using a diffusion model trained only on the source distribution. Theoretical analysis reveals the feasibility of our method. Experimental results, on both multiple-domain generalization datasets and single-domain generalization datasets, show that our method provides a general performance gain when plugged into a wide range of commonly used OoD algorithms.

Regularization Penalty Optimization for Addressing Data Quality Variance in OoD Algorithms

Due to the poor generalization performance of traditional empirical risk minimization (ERM) in the case of distributional shift, Out-of-Distribution (OoD) generalization algorithms receive increasing attention. However, OoD generalization algorithms overlook the great variance in the quality of training data, which significantly compromises the accuracy of these methods. In this paper, we theoretically reveal the relationship between training data quality and algorithm performance and analyze the optimal regularization scheme for Lipschitz regularized invariant risk minimization. A novel algorithm is proposed based on the theoretical results to alleviate the influence of low-quality data at both the sample level and the domain level. The experiments on both the regression and classification benchmarks validate the effectiveness of our method with statistical significance.