Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userSelf-supervised Graph-level Representation Learning with Local and Global Structure
139
0
0.0
(
0
)
Added by
Minghao Xu
Publication date
2021
fields
Informatics Engineering
and research's language is
English
Ask ChatGPT about the research
No Arabic abstract
This paper studies unsupervised/self-supervised whole-graph representation learning, which is critical in many tasks such as molecule properties prediction in drug and material discovery. Existing methods mainly focus on preserving the local similarity structure between different graph instances but fail to discover the global semantic structure of the entire data set. In this paper, we propose a unified framework called Local-instance and Global-semantic Learning (GraphLoG) for self-supervised whole-graph representation learning. Specifically, besides preserving the local similarities, GraphLoG introduces the hierarchical prototypes to capture the global semantic clusters. An efficient online expectation-maximization (EM) algorithm is further developed for learning the model. We evaluate GraphLoG by pre-training it on massive unlabeled graphs followed by fine-tuning on downstream tasks. Extensive experiments on both chemical and biological benchmark data sets demonstrate the effectiveness of the proposed approach.
rate research
Read More
To take full advantage of fast-growing unlabeled networked data, this paper introduces a novel self-supervised strategy for graph representation learning by exploiting natural supervision provided by the data itself. Inspired by human social behavior, we assume that the global context of each node is composed of all nodes in the graph since two arbitrary entities in a connected network could interact with each other via paths of varying length. Based on this, we investigate whether the global context can be a source of free and effective supervisory signals for learning useful node representations. Specifically, we randomly select pairs of nodes in a graph and train a well-designed neural net to predict the contextual position of one node relative to the other. Our underlying hypothesis is that the representations learned from such within-graph context would capture the global topology of the graph and finely characterize the similarity and differentiation between nodes, which is conducive to various downstream learning tasks. Extensive benchmark experiments including node classification, clustering, and link prediction demonstrate that our approach outperforms many state-of-the-art unsupervised methods and sometimes even exceeds the performance of supervised counterparts.
Graph neural networks~(GNNs) apply deep learning techniques to graph-structured data and have achieved promising performance in graph representation learning. However, existing GNNs rely heavily on enough labels or well-designed negative samples. To address these issues, we propose a new self-supervised graph representation method: deep graph bootstrapping~(DGB). DGB consists of two neural networks: online and target networks, and the input of them are different augmented views of the initial graph. The online network is trained to predict the target network while the target network is updated with a slow-moving average of the online network, which means the online and target networks can learn from each other. As a result, the proposed DGB can learn graph representation without negative examples in an unsupervised manner. In addition, we summarize three kinds of augmentation methods for graph-structured data and apply them to the DGB. Experiments on the benchmark datasets show the DGB performs better than the current state-of-the-art methods and how the augmentation methods affect the performances.
We present the Topology Transformation Equivariant Representation learning, a general paradigm of self-supervised learning for node representations of graph data to enable the wide applicability of Graph Convolutional Neural Networks (GCNNs). We formalize the proposed model from an information-theoretic perspective, by maximizing the mutual information between topology transformations and node representations before and after the transformations. We derive that maximizing such mutual information can be relaxed to minimizing the cross entropy between the applied topology transformation and its estimation from node representations. In particular, we seek to sample a subset of node pairs from the original graph and flip the edge connectivity between each pair to transform the graph topology. Then, we self-train a representation encoder to learn node representations by reconstructing the topology transformations from the feature representations of the original and transformed graphs. In experiments, we apply the proposed model to the downstream node and graph classification tasks, and results show that the proposed method outperforms the state-of-the-art unsupervised approaches.
Graph representation learning plays a vital role in processing graph-structured data. However, prior arts on graph representation learning heavily rely on labeling information. To overcome this problem, inspired by the recent success of graph contrastive learning and Siamese networks in visual representation learning, we propose a novel self-supervised approach in this paper to learn node representations by enhancing Siamese self-distillation with multi-scale contrastive learning. Specifically, we first generate two augmented views from the input graph based on local and global perspectives. Then, we employ two objectives called cross-view and cross-network contrastiveness to maximize the agreement between node representations across different views and networks. To demonstrate the effectiveness of our approach, we perform empirical experiments on five real-world datasets. Our method not only achieves new state-of-the-art results but also surpasses some semi-supervised counterparts by large margins. Code is made available at https://github.com/GRAND-Lab/MERIT
This paper introduces Relative Predictive Coding (RPC), a new contrastive representation learning objective that maintains a good balance among training stability, minibatch size sensitivity, and downstream task performance. The key to the success of RPC is two-fold. First, RPC introduces the relative parameters to regularize the objective for boundedness and low variance. Second, RPC contains no logarithm and exponential score functions, which are the main cause of training instability in prior contrastive objectives. We empirically verify the effectiveness of RPC on benchmark vision and speech self-supervised learning tasks. Lastly, we relate RPC with mutual information (MI) estimation, showing RPC can be used to estimate MI with low variance.
suggested questions
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
