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Graph property prediction tasks are important and numerous. While each task offers a small size of labeled examples, unlabeled graphs have been collected from various sources and at a large scale. A conventional approach is training a model with the unlabeled graphs on self-supervised tasks and then fine-tuning the model on the prediction tasks. However, the self-supervised task knowledge could not be aligned or sometimes conflicted with what the predictions needed. In this paper, we propose to extract the knowledge underlying the large set of unlabeled graphs as a specific set of useful data points to augment each property prediction model. We use a diffusion model to fully utilize the unlabeled graphs and design two new objectives to guide the model's denoising process with each task's labeled data to generate task-specific graph examples and their labels. Experiments demonstrate that our data-centric approach performs significantly better than fourteen existing various methods on fifteen tasks. The performance improvement brought by unlabeled data is visible as the generated labeled examples unlike self-supervised learning.

Since the recent advent of regulations for data protection (e.g., the General Data Protection Regulation), there has been increasing demand in deleting information learned from sensitive data in pre-trained models without retraining from scratch. The inherent vulnerability of neural networks towards adversarial attacks and unfairness also calls for a robust method to remove or correct information in an instance-wise fashion, while retaining the predictive performance across remaining data. To this end, we define instance-wise unlearning, of which the goal is to delete information on a set of instances from a pre-trained model, by either misclassifying each instance away from its original prediction or relabeling the instance to a different label. We also propose two methods that reduce forgetting on the remaining data: 1) utilizing adversarial examples to overcome forgetting at the representation-level and 2) leveraging weight importance metrics to pinpoint network parameters guilty of propagating unwanted information. Both methods only require the pre-trained model and data instances to forget, allowing painless application to real-life settings where the entire training set is unavailable. Through extensive experimentation on various image classification benchmarks, we show that our approach effectively preserves knowledge of remaining data while unlearning given instances in both single-task and continual unlearning scenarios.

Deep neural network can easily overfit to even noisy labels due to its high capacity, which degrades the generalization performance of a model. To overcome this issue, we propose a new approach for learning from noisy labels (LNL) via post-training, which can significantly improve the generalization performance of any pre-trained model on noisy label data. To this end, we rather exploit the overfitting property of a trained model to identify mislabeled samples. Specifically, our post-training approach gradually removes samples with high influence on the decision boundary and refines the decision boundary to improve generalization performance. Our post-training approach creates great synergies when combined with the existing LNL methods. Experimental results on various real-world and synthetic benchmark datasets demonstrate the validity of our approach in diverse realistic scenarios.

We study the problem of semi-supervised learning with Graph Neural Networks (GNNs) in an active learning setup. We propose GraphPart, a novel partition-based active learning approach for GNNs. GraphPart first splits the graph into disjoint partitions and then selects representative nodes within each partition to query. The proposed method is motivated by a novel analysis of the classification error under realistic smoothness assumptions over the graph and the node features. Extensive experiments on multiple benchmark datasets demonstrate that the proposed method outperforms existing active learning methods for GNNs under a wide range of annotation budget constraints. In addition, the proposed method does not introduce additional hyperparameters, which is crucial for model training, especially in the active learning setting where a labeled validation set may not be available.

Functional quantile regression (FQR) is a useful alternative to mean regression for functional data as it provides a comprehensive understanding of how scalar predictors influence the conditional distribution of functional responses. In this article, we study the FQR model for densely sampled, high-dimensional functional data without relying on parametric or independent assumptions on the residual process, with the focus on statistical inference and scalable implementation. This is achieved by a simple but powerful distributed strategy, in which we first perform separate quantile regression to compute $M$-estimators at each sampling location, and then carry out estimation and inference for the entire coefficient functions by properly exploiting the uncertainty quantification and dependence structure of $M$-estimators. We derive a uniform Bahadur representation and a strong Gaussian approximation result for the $M$-estimators on the discrete sampling grid, serving as the basis for inference. An interpolation-based estimator with minimax optimality is proposed, and large sample properties for point and simultaneous interval estimators are established. The obtained minimax optimal rate under the FQR model shows an interesting phase transition phenomenon that has been previously observed in functional mean regression. The proposed methods are illustrated via simulations and an application to a mass spectrometry proteomics dataset.

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.

Mixup, a simple data augmentation method that randomly mixes two data points via linear interpolation, has been extensively applied in various deep learning applications to gain better generalization. However, the theoretical underpinnings of its efficacy are not yet fully understood. In this paper, we aim to seek a fundamental understanding of the benefits of Mixup. We first show that Mixup using different linear interpolation parameters for features and labels can still achieve similar performance to the standard Mixup. This indicates that the intuitive linearity explanation in Zhang et al., (2018) may not fully explain the success of Mixup. Then we perform a theoretical study of Mixup from the feature learning perspective. We consider a feature-noise data model and show that Mixup training can effectively learn the rare features (appearing in a small fraction of data) from its mixture with the common features (appearing in a large fraction of data). In contrast, standard training can only learn the common features but fails to learn the rare features, thus suffering from bad generalization performance. Moreover, our theoretical analysis also shows that the benefits of Mixup for feature learning are mostly gained in the early training phase, based on which we propose to apply early stopping in Mixup. Experimental results verify our theoretical findings and demonstrate the effectiveness of the early-stopped Mixup training.

Learning on big data brings success for artificial intelligence (AI), but the annotation and training costs are expensive. In future, learning on small data is one of the ultimate purposes of AI, which requires machines to recognize objectives and scenarios relying on small data as humans. A series of machine learning models is going on this way such as active learning, few-shot learning, deep clustering. However, there are few theoretical guarantees for their generalization performance. Moreover, most of their settings are passive, that is, the label distribution is explicitly controlled by one specified sampling scenario. This survey follows the agnostic active sampling under a PAC (Probably Approximately Correct) framework to analyze the generalization error and label complexity of learning on small data using a supervised and unsupervised fashion. With these theoretical analyses, we categorize the small data learning models from two geometric perspectives: the Euclidean and non-Euclidean (hyperbolic) mean representation, where their optimization solutions are also presented and discussed. Later, some potential learning scenarios that may benefit from small data learning are then summarized, and their potential learning scenarios are also analyzed. Finally, some challenging applications such as computer vision, natural language processing that may benefit from learning on small data are also surveyed.

Deep neural networks have achieved remarkable success in computer vision tasks. Existing neural networks mainly operate in the spatial domain with fixed input sizes. For practical applications, images are usually large and have to be downsampled to the predetermined input size of neural networks. Even though the downsampling operations reduce computation and the required communication bandwidth, it removes both redundant and salient information obliviously, which results in accuracy degradation. Inspired by digital signal processing theories, we analyze the spectral bias from the frequency perspective and propose a learning-based frequency selection method to identify the trivial frequency components which can be removed without accuracy loss. The proposed method of learning in the frequency domain leverages identical structures of the well-known neural networks, such as ResNet-50, MobileNetV2, and Mask R-CNN, while accepting the frequency-domain information as the input. Experiment results show that learning in the frequency domain with static channel selection can achieve higher accuracy than the conventional spatial downsampling approach and meanwhile further reduce the input data size. Specifically for ImageNet classification with the same input size, the proposed method achieves 1.41% and 0.66% top-1 accuracy improvements on ResNet-50 and MobileNetV2, respectively. Even with half input size, the proposed method still improves the top-1 accuracy on ResNet-50 by 1%. In addition, we observe a 0.8% average precision improvement on Mask R-CNN for instance segmentation on the COCO dataset.

The goal of few-shot learning is to learn a classifier that generalizes well even when trained with a limited number of training instances per class. The recently introduced meta-learning approaches tackle this problem by learning a generic classifier across a large number of multiclass classification tasks and generalizing the model to a new task. Yet, even with such meta-learning, the low-data problem in the novel classification task still remains. In this paper, we propose Transductive Propagation Network (TPN), a novel meta-learning framework for transductive inference that classifies the entire test set at once to alleviate the low-data problem. Specifically, we propose to learn to propagate labels from labeled instances to unlabeled test instances, by learning a graph construction module that exploits the manifold structure in the data. TPN jointly learns both the parameters of feature embedding and the graph construction in an end-to-end manner. We validate TPN on multiple benchmark datasets, on which it largely outperforms existing few-shot learning approaches and achieves the state-of-the-art results.