Graph neural networks have achieved remarkable success in learning graph representations, especially graph Transformer, which has recently shown superior performance on various graph mining tasks. However, graph Transformer generally treats nodes as tokens, which results in quadratic complexity regarding the number of nodes during self-attention computation. The graph MLP Mixer addresses this challenge by using the efficient MLP Mixer technique from computer vision. However, the time-consuming process of extracting graph tokens limits its performance. In this paper, we present a novel architecture named ChebMixer, a newly graph MLP Mixer that uses fast Chebyshev polynomials-based spectral filtering to extract a sequence of tokens. Firstly, we produce multiscale representations of graph nodes via fast Chebyshev polynomial-based spectral filtering. Next, we consider each node's multiscale representations as a sequence of tokens and refine the node representation with an effective MLP Mixer. Finally, we aggregate the multiscale representations of nodes through Chebyshev interpolation. Owing to the powerful representation capabilities and fast computational properties of MLP Mixer, we can quickly extract more informative node representations to improve the performance of downstream tasks. The experimental results prove our significant improvements in a variety of scenarios ranging from graph node classification to medical image segmentation.
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Deep neural networks are vulnerable to backdoor attacks, a type of adversarial attack that poisons the training data to manipulate the behavior of models trained on such data. Clean-label attacks are a more stealthy form of backdoor attacks that can perform the attack without changing the labels of poisoned data. Early works on clean-label attacks added triggers to a random subset of the training set, ignoring the fact that samples contribute unequally to the attack's success. This results in high poisoning rates and low attack success rates. To alleviate the problem, several supervised learning-based sample selection strategies have been proposed. However, these methods assume access to the entire labeled training set and require training, which is expensive and may not always be practical. This work studies a new and more practical (but also more challenging) threat model where the attacker only provides data for the target class (e.g., in face recognition systems) and has no knowledge of the victim model or any other classes in the training set. We study different strategies for selectively poisoning a small set of training samples in the target class to boost the attack success rate in this setting. Our threat model poses a serious threat in training machine learning models with third-party datasets, since the attack can be performed effectively with limited information. Experiments on benchmark datasets illustrate the effectiveness of our strategies in improving clean-label backdoor attacks.
Deep neural networks (DNNs) have achieved significant success in numerous applications. The remarkable performance of DNNs is largely attributed to the availability of massive, high-quality training datasets. However, processing such massive training data requires huge computational and storage resources. Dataset distillation is a promising solution to this problem, offering the capability to compress a large dataset into a smaller distilled dataset. The model trained on the distilled dataset can achieve comparable performance to the model trained on the whole dataset. While dataset distillation has been demonstrated in image data, none have explored dataset distillation for audio data. In this work, for the first time, we propose a Dataset Distillation Framework for Audio Data (DDFAD). Specifically, we first propose the Fused Differential MFCC (FD-MFCC) as extracted features for audio data. After that, the FD-MFCC is distilled through the matching training trajectory distillation method. Finally, we propose an audio signal reconstruction algorithm based on the Griffin-Lim Algorithm to reconstruct the audio signal from the distilled FD-MFCC. Extensive experiments demonstrate the effectiveness of DDFAD on various audio datasets. In addition, we show that DDFAD has promising application prospects in many applications, such as continual learning and neural architecture search.
Continual Learning (CL) is crucial for enabling networks to dynamically adapt as they learn new tasks sequentially, accommodating new data and classes without catastrophic forgetting. Diverging from conventional perspectives on CL, our paper introduces a new perspective wherein forgetting could actually benefit the sequential learning paradigm. Specifically, we present BiasPruner, a CL framework that intentionally forgets spurious correlations in the training data that could lead to shortcut learning. Utilizing a new bias score that measures the contribution of each unit in the network to learning spurious features, BiasPruner prunes those units with the highest bias scores to form a debiased subnetwork preserved for a given task. As BiasPruner learns a new task, it constructs a new debiased subnetwork, potentially incorporating units from previous subnetworks, which improves adaptation and performance on the new task. During inference, BiasPruner employs a simple task-agnostic approach to select the best debiased subnetwork for predictions. We conduct experiments on three medical datasets for skin lesion classification and chest X-Ray classification and demonstrate that BiasPruner consistently outperforms SOTA CL methods in terms of classification performance and fairness. Our code is available here.
Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power. Early works in this domain mainly focus on studying the graph isomorphism recognition ability of GNNs, and recent works try to leverage the properties such as subgraph counting and connectivity learning to characterize the expressive power of GNNs, which are more practical and closer to real-world. However, no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a first survey for models for enhancing expressive power under different forms of definition. Concretely, the models are reviewed based on three categories, i.e., Graph feature enhancement, Graph topology enhancement, and GNNs architecture enhancement.
Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.
Generative Adversarial networks (GANs) have obtained remarkable success in many unsupervised learning tasks and unarguably, clustering is an important unsupervised learning problem. While one can potentially exploit the latent-space back-projection in GANs to cluster, we demonstrate that the cluster structure is not retained in the GAN latent space. In this paper, we propose ClusterGAN as a new mechanism for clustering using GANs. By sampling latent variables from a mixture of one-hot encoded variables and continuous latent variables, coupled with an inverse network (which projects the data to the latent space) trained jointly with a clustering specific loss, we are able to achieve clustering in the latent space. Our results show a remarkable phenomenon that GANs can preserve latent space interpolation across categories, even though the discriminator is never exposed to such vectors. We compare our results with various clustering baselines and demonstrate superior performance on both synthetic and real datasets.
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.
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