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A Label is Worth A Thousand Images in Dataset Distillation
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.
Jaccard Metric Losses: Optimizing the Jaccard Index with Soft Labels
Intersection over Union (IoU) losses are surrogates that directly optimize the Jaccard index. Leveraging IoU losses as part of the loss function have demonstrated superior performance in semantic segmentation tasks compared to optimizing pixel-wise losses such as the cross-entropy loss alone. However, we identify a lack of flexibility in these losses to support vital training techniques like label smoothing, knowledge distillation, and semi-supervised learning, mainly due to their inability to process soft labels. To address this, we introduce Jaccard Metric Losses (JMLs), which are identical to the soft Jaccard loss in standard settings with hard labels but are fully compatible with soft labels. We apply JMLs to three prominent use cases of soft labels: label smoothing, knowledge distillation and semi-supervised learning, and demonstrate their potential to enhance model accuracy and calibration. Our experiments show consistent improvements over the cross-entropy loss across 4 semantic segmentation datasets (Cityscapes, PASCAL VOC, ADE20K, DeepGlobe Land) and 13 architectures, including classic CNNs and recent vision transformers. Remarkably, our straightforward approach significantly outperforms state-of-the-art knowledge distillation and semi-supervised learning methods.
Improving Adversarial Robust Fairness via Anti-Bias Soft Label Distillation
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.
Learning From Biased Soft Labels
Since the advent of knowledge distillation, many researchers have been intrigued by the $\textit{dark knowledge}$ hidden in the soft labels generated by the teacher model. This prompts us to scrutinize the circumstances under which these soft labels are effective. Predominant existing theories implicitly require that the soft labels are close to the ground-truth labels. In this paper, however, we investigate whether biased soft labels are still effective. Here, bias refers to the discrepancy between the soft labels and the ground-truth labels.
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
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.
Learning from Inside: Self-driven Siamese Sampling and Reasoning for Video Question Answering
Recent advances in the video question answering (i.e., VideoQA) task have achieved strong success by following the paradigm of fine-tuning each clip-text pair independently on the pretrained transformer-based model via supervised learning. Intuitively, multiple samples (i.e., clips) should be interdependent to capture similar visual and key semantic information in the same video. To consider the interdependent knowledge between contextual clips into the network inference, we propose a Siamese Sampling and Reasoning (SiaSamRea) approach, which consists of a siamese sampling mechanism to generate sparse and similar clips (i.e., siamese clips) from the same video, and a novel reasoning strategy for integrating the interdependent knowledge between contextual clips into the network. The reasoning strategy contains two modules: (1) siamese knowledge generation to learn the inter-relationship among clips; (2) siamese knowledge reasoning to produce the refined soft label by propagating the weights of inter-relationship to the predicted candidates of all clips. Finally, our SiaSamRea can endow the current multimodal reasoning paradigm with the ability of learning from inside via the guidance of soft labels.
Knowledge Distillation in Wide Neural Networks: Risk Bound, Data Efficiency and Imperfect Teacher
Knowledge distillation is a strategy of training a student network with guide of the soft output from a teacher network. It has been a successful method of model compression and knowledge transfer. However, currently knowledge distillation lacks a convincing theoretical understanding. On the other hand, recent finding on neural tangent kernel enables us to approximate a wide neural network with a linear model of the network's random features. In this paper, we theoretically analyze the knowledge distillation of a wide neural network. First we provide a transfer risk bound for the linearized model of the network. Then we propose a metric of the task's training difficulty, called data inefficiency. Based on this metric, we show that for a perfect teacher, a high ratio of teacher's soft labels can be beneficial. Finally, for the case of imperfect teacher, we find that hard labels can correct teacher's wrong prediction, which explains the practice of mixing hard and soft labels.
Are Large-scale Soft Labels Necessary for Large-scale Dataset Distillation?
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.