Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar features and different class labels, and the semantically related nodes might be multi-hop away. To address this limitation, this paper presents GraphRARE, a general framework built upon node relative entropy and deep reinforcement learning, to strengthen the expressive capability of GNNs. An innovative node relative entropy, which considers node features and structural similarity, is used to measure mutual information between node pairs. In addition, to avoid the sub-optimal solutions caused by mixing useful information and noises of remote nodes, a deep reinforcement learning-based algorithm is developed to optimize the graph topology. This algorithm selects informative nodes and discards noisy nodes based on the defined node relative entropy. Extensive experiments are conducted on seven real-world datasets. The experimental results demonstrate the superiority of GraphRARE in node classification and its capability to optimize the original graph topology.
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Quantized neural networks (QNNs) have received increasing attention in resource-constrained scenarios due to their exceptional generalizability. However, their robustness against realistic black-box adversarial attacks has not been extensively studied. In this scenario, adversarial transferability is pursued across QNNs with different quantization bitwidths, which particularly involve unknown architectures and defense methods. Previous studies claim that transferability is difficult to achieve across QNNs with different bitwidths on the condition that they share the same architecture. However, we discover that under different architectures, transferability can be largely improved by using a QNN quantized with an extremely low bitwidth as the substitute model. We further improve the attack transferability by proposing \textit{quantization aware attack} (QAA), which fine-tunes a QNN substitute model with a multiple-bitwidth training objective. In particular, we demonstrate that QAA addresses the two issues that are commonly known to hinder transferability: 1) quantization shifts and 2) gradient misalignments. Extensive experimental results validate the high transferability of the QAA to diverse target models. For instance, when adopting the ResNet-34 substitute model on ImageNet, QAA outperforms the current best attack in attacking standardly trained DNNs, adversarially trained DNNs, and QNNs with varied bitwidths by 4.3\% $\sim$ 20.9\%, 8.7\% $\sim$ 15.5\%, and 2.6\% $\sim$ 31.1\% (absolute), respectively. In addition, QAA is efficient since it only takes one epoch for fine-tuning. In the end, we empirically explain the effectiveness of QAA from the view of the loss landscape. Our code is available at ~\url{//github.com/yyl-github-1896/QAA/}.
Deep neural networks (DNNs) have demonstrated remarkable performance across various tasks, including image and speech recognition. However, maximizing the effectiveness of DNNs requires meticulous optimization of numerous hyperparameters and network parameters through training. Moreover, high-performance DNNs entail many parameters, which consume significant energy during training. In order to overcome these challenges, researchers have turned to spiking neural networks (SNNs), which offer enhanced energy efficiency and biologically plausible data processing capabilities, rendering them highly suitable for sensory data tasks, particularly in neuromorphic data. Despite their advantages, SNNs, like DNNs, are susceptible to various threats, including adversarial examples and backdoor attacks. Yet, the field of SNNs still needs to be explored in terms of understanding and countering these attacks. This paper delves into backdoor attacks in SNNs using neuromorphic datasets and diverse triggers. Specifically, we explore backdoor triggers within neuromorphic data that can manipulate their position and color, providing a broader scope of possibilities than conventional triggers in domains like images. We present various attack strategies, achieving an attack success rate of up to 100% while maintaining a negligible impact on clean accuracy. Furthermore, we assess these attacks' stealthiness, revealing that our most potent attacks possess significant stealth capabilities. Lastly, we adapt several state-of-the-art defenses from the image domain, evaluating their efficacy on neuromorphic data and uncovering instances where they fall short, leading to compromised performance.
Accuracy and efficiency remain challenges for multi-party computation (MPC) frameworks. Spin is a GPU-accelerated MPC framework that supports multiple computation parties and a dishonest majority adversarial setup. We propose optimized protocols for non-linear functions that are critical for machine learning, as well as several novel optimizations specific to attention that is the fundamental unit of Transformer models, allowing Spin to perform non-trivial CNNs training and Transformer inference without sacrificing security. At the backend level, Spin leverages GPU, CPU, and RDMA-enabled smart network cards for acceleration. Comprehensive evaluations demonstrate that Spin can be up to $2\times$ faster than the state-of-the-art for deep neural network training. For inference on a Transformer model with 18.9 million parameters, our attention-specific optimizations enable Spin to achieve better efficiency, less communication, and better accuracy.
For analysing real-world networks, graph representation learning is a popular tool. These methods, such as a graph autoencoder (GAE), typically rely on low-dimensional representations, also called embeddings, which are obtained through minimising a loss function; these embeddings are used with a decoder for downstream tasks such as node classification and edge prediction. While GAEs tend to be fairly accurate, they suffer from scalability issues. For improved speed, a Local2Global approach, which combines graph patch embeddings based on eigenvector synchronisation, was shown to be fast and achieve good accuracy. Here we propose L2G2G, a Local2Global method which improves GAE accuracy without sacrificing scalability. This improvement is achieved by dynamically synchronising the latent node representations, while training the GAEs. It also benefits from the decoder computing an only local patch loss. Hence, aligning the local embeddings in each epoch utilises more information from the graph than a single post-training alignment does, while maintaining scalability. We illustrate on synthetic benchmarks, as well as real-world examples, that L2G2G achieves higher accuracy than the standard Local2Global approach and scales efficiently on the larger data sets. We find that for large and dense networks, it even outperforms the slow, but assumed more accurate, GAEs.
Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word ambiguity, (2) word synonymity, and (3) dynamic contextual dependency. To address these challenges, we propose a novel GNN-based sparse structure learning model for inductive document classification. Specifically, a document-level graph is initially generated by a disjoint union of sentence-level word co-occurrence graphs. Our model collects a set of trainable edges connecting disjoint words between sentences and employs structure learning to sparsely select edges with dynamic contextual dependencies. Graphs with sparse structures can jointly exploit local and global contextual information in documents through GNNs. For inductive learning, the refined document graph is further fed into a general readout function for graph-level classification and optimization in an end-to-end manner. Extensive experiments on several real-world datasets demonstrate that the proposed model outperforms most state-of-the-art results, and reveal the necessity to learn sparse structures for each document.
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) are widely used for analyzing graph-structured data. Most GNN methods are highly sensitive to the quality of graph structures and usually require a perfect graph structure for learning informative embeddings. However, the pervasiveness of noise in graphs necessitates learning robust representations for real-world problems. To improve the robustness of GNN models, many studies have been proposed around the central concept of Graph Structure Learning (GSL), which aims to jointly learn an optimized graph structure and corresponding representations. Towards this end, in the presented survey, we broadly review recent progress of GSL methods for learning robust representations. Specifically, we first formulate a general paradigm of GSL, and then review state-of-the-art methods classified by how they model graph structures, followed by applications that incorporate the idea of GSL in other graph tasks. Finally, we point out some issues in current studies and discuss future directions.
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.
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.
We study the problem of learning to reason in large scale knowledge graphs (KGs). More specifically, we describe a novel reinforcement learning framework for learning multi-hop relational paths: we use a policy-based agent with continuous states based on knowledge graph embeddings, which reasons in a KG vector space by sampling the most promising relation to extend its path. In contrast to prior work, our approach includes a reward function that takes the accuracy, diversity, and efficiency into consideration. Experimentally, we show that our proposed method outperforms a path-ranking based algorithm and knowledge graph embedding methods on Freebase and Never-Ending Language Learning datasets.
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