However, existing research primarily focuses on balanced datasets and struggles to perform under real-world long-tailed distributions. In this work, we emphasize the critical role of soft labels in long-tailed dataset distillation and uncover the underlying mechanisms contributing to performance degradation. Specifically, we derive an imbalance-aware generalization bound for model trained on distilled dataset. We then identify two primary sources of soft-label bias, which originate from the distillation model and the distilled images, through systematic perturbation of the data imbalance levels. To address this, we propose ADSA, an Adaptive Soft-label Alignment module that calibrates the entangled biases. This lightweight module integrates seamlessly into existing distillation pipelines and consistently improves performance. On ImageNet-1k-LT with EDC and IPC=50, ADSA improves tailclass accuracy by up to 11.8% and raises overall accuracy to 41.4%. Extensive experiments demonstrate that ADSA provides a robust and generalizable solution under limited label budgets and across a range of distillation techniques.

Self-distillation (SD), a technique where a model improves itself using its own predictions, has attracted attention as a simple yet powerful approach in machine learning. Despite its widespread use, the mechanisms underlying its effectiveness remain unclear. In this study, we investigate the efficacy of hyperparameter-tuned multi-stage SD with a linear classifier for binary classification on noisy Gaussian mixture data. For the analysis, we employ the replica method from statistical physics. Our findings reveal that the primary driver of SD's performance improvement is denoising through hard pseudo-labels, namely discrete labels generated from the model's own predictions, with the most notable gains observed in moderately sized datasets. We also identify two practical heuristics to enhance SD: early stopping that limits the number of stages, which is broadly effective, and bias parameter fixing, which helps under label imbalance. To empirically validate our theoretical findings derived from our toy model, we conduct additional experiments on CIFAR-10 classification using pretrained ResNet backbone. These results provide both theoretical and practical insights, advancing our understanding and application of SD in noisy settings.

Data is a crucial factor in the performance of machine learning models, a principle that dataset distillation methods exploit by compressing training datasets into much smaller counterparts that maintain similar downstream performance. Understanding how and why data distillation methods work is vital not only for improving these methods but also for revealing fundamental characteristics of good" training data. However, a major challenge in achieving this goal is the observation that distillation approaches, which rely on sophisticated but mostly disparate methods to generate synthetic data, have little in common with each other. In this work, we highlight a largely overlooked aspect common to most of these methods: the use of soft (probabilistic) labels. Through a series of ablation experiments, we study the role of soft labels in depth. Our results reveal that the main factor explaining the performance of state-of-the-art distillation methods is not the specific techniques used to generate synthetic data but rather the use of soft labels. Furthermore, we demonstrate that not all soft labels are created equal; they must contain to be beneficial. We also provide empirical scaling laws that characterize the effectiveness of soft labels as a function of images-per-class in the distilled dataset and establish an empirical Pareto frontier for data-efficient learning. Combined, our findings challenge conventional wisdom in dataset distillation, underscore the importance of soft labels in learning, and suggest new directions for improving distillation methods.

Adversarial Training (AT) has been widely proved to be an effective method to improve the adversarial robustness against adversarial examples for Deep Neural Networks (DNNs). As a variant of AT, Adversarial Robustness Distillation (ARD) has demonstrated its superior performance in improving the robustness of small student models with the guidance of large teacher models. However, both AT and ARD encounter the robust fairness problem: these models exhibit strong robustness when facing part of classes (easy class), but weak robustness when facing others (hard class). In this paper, we give an in-depth analysis of the potential factors and argue that the smoothness degree of samples' soft labels for different classes (i.e., hard class or easy class) will affect the robust fairness of DNNs from both empirical observation and theoretical analysis. Based on the above finding, we propose an Anti-Bias Soft Label Distillation (ABSLD) method to mitigate the adversarial robust fairness problem within the framework of Knowledge Distillation (KD). Specifically, ABSLD adaptively reduces the student's error risk gap between different classes to achieve fairness by adjusting the class-wise smoothness degree of samples' soft labels during the training process, and the smoothness degree of soft labels is controlled by assigning different temperatures in KD to different classes. Extensive experiments demonstrate that ABSLD outperforms state-of-the-art AT, ARD, and robust fairness methods in the comprehensive metric (Normalized Standard Deviation) of robustness and fairness.

Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information.Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening.

In ImageNet-condensation, the storage for auxiliary soft labels exceeds that of the condensed dataset by over 30 times.However, are large-scale soft labels necessary for large-scale dataset distillation?In this paper, we first discover that the high within-class similarity in condensed datasets necessitates the use of large-scale soft labels.This high within-class similarity can be attributed to the fact that previous methods use samples from different classes to construct a single batch for batch normalization (BN) matching.To reduce the within-class similarity, we introduce class-wise supervision during the image synthesizing process by batching the samples within classes, instead of across classes.As a result, we can increase within-class diversity and reduce the size of required soft labels.A key benefit of improved image diversity is that soft label compression can be achieved through simple random pruning, eliminating the need for complex rule-based strategies.

Understanding how and why data distillation methods work is vital not only for improving these methods but also for revealing fundamental characteristics of "good" training data.

The proposed indicators adequately measure the effectiveness of the soft labels generated in this process.