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Added by
Shiv Shankar
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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The development of Graph Neural Networks (GNNs) has led to great progress in machine learning on graph-structured data. These networks operate via diffusing information across the graph nodes while capturing the structure of the graph. Recently there has also seen tremendous progress in quantum computing techniques. In this work, we explore applications of multi-particle quantum walks on diffusing information across graphs. Our model is based on learning the operators that govern the dynamics of quantum random walkers on graphs. We demonstrate the effectiveness of our method on classification and regression tasks.
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Graphs are often used to organize data because of their simple topological structure, and therefore play a key role in machine learning. And it turns out that the low-dimensional embedded representation obtained by graph representation learning are extremely useful in various typical tasks, such as node classification, content recommendation and link prediction. However, the existing methods mostly start from the microstructure (i.e., the edges) in the graph, ignoring the mesoscopic structure (high-order local structure). Here, we propose wGCN -- a novel framework that utilizes random walk to obtain the node-specific mesoscopic structures of the graph, and utilizes these mesoscopic structures to reconstruct the graph And organize the characteristic information of the nodes. Our method can effectively generate node embeddings for previously unseen data, which has been proven in a series of experiments conducted on citation networks and social networks (our method has advantages over baseline methods). We believe that combining high-order local structural information can more efficiently explore the potential of the network, which will greatly improve the learning efficiency of graph neural network and promote the establishment of new learning models.
Graph embedding has recently gained momentum in the research community, in particular after the introduction of random walk and neural network based approaches. However, most of the embedding approaches focus on representing the local neighborhood of nodes and fail to capture the global graph structure, i.e. to retain the relations to distant nodes. To counter that problem, we propose a novel extension to random walk based graph embedding, which removes a percentage of least frequent nodes from the walks at different levels. By this removal, we simulate farther distant nodes to reside in the close neighborhood of a node and hence explicitly represent their connection. Besides the common evaluation tasks for graph embeddings, such as node classification and link prediction, we evaluate and compare our approach against related methods on shortest path approximation. The results indicate, that extensions to random walk based methods (including our own) improve the predictive performance only slightly - if at all.
Single particle tracking allows probing how biomolecules interact physically with their natural environments. A fundamental challenge when analysing recorded single particle trajectories is the inverse problem of inferring the physical model or class of models of the underlying random walks. Reliable inference is made difficult by the inherent stochastic nature of single particle motion, by experimental noise, and by the short duration of most experimental trajectories. Model identification is further complicated by the fact that main physical properties of random walk models are only defined asymptotically, and are thus degenerate for short trajectories. Here, we introduce a new, fast approach to inferring random walk properties based on graph neural networks (GNNs). Our approach consists in associating a vector of features with each observed position, and a sparse graph structure with each observed trajectory. By performing simulation-based supervised learning on this construct [1], we show that we can reliably learn models of random walks and their anomalous exponents. The method can naturally be applied to trajectories of any length. We show its efficiency in analysing various anomalous random walks of biological relevance that were proposed in the AnDi challenge [2]. We explore how information is encoded in the GNN, and we show that it learns relevant physical features of the random walks. We furthermore evaluate its ability to generalize to types of trajectories not seen during training, and we show that the GNN retains high accuracy even with few parameters. We finally discuss the possibility to leverage these networks to analyse experimental data.
How can we find the right graph for semi-supervised learning? In real world applications, the choice of which edges to use for computation is the first step in any graph learning process. Interestingly, there are often many types of similarity available to choose as the edges between nodes, and the choice of edges can drastically affect the performance of downstream semi-supervised learning systems. However, despite the importance of graph design, most of the literature assumes that the graph is static. In this work, we present Grale, a scalable method we have developed to address the problem of graph design for graphs with billions of nodes. Grale operates by fusing together different measures of(potentially weak) similarity to create a graph which exhibits high task-specific homophily between its nodes. Grale is designed for running on large datasets. We have deployed Grale in more than 20 different industrial settings at Google, including datasets which have tens of billions of nodes, and hundreds of trillions of potential edges to score. By employing locality sensitive hashing techniques,we greatly reduce the number of pairs that need to be scored, allowing us to learn a task specific model and build the associated nearest neighbor graph for such datasets in hours, rather than the days or even weeks that might be required otherwise. We illustrate this through a case study where we examine the application of Grale to an abuse classification problem on YouTube with hundreds of million of items. In this application, we find that Grale detects a large number of malicious actors on top of hard-coded rules and content classifiers, increasing the total recall by 89% over those approaches alone.
While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity learning has considered either global-level graph-graph interactions or low-level node-node interactions, however ignoring the rich cross-level interactions (e.g., between each node of one graph and the other whole graph). In this paper, we propose a multi-level graph matching network (MGMN) framework for computing the graph similarity between any pair of graph-structured objects in an end-to-end fashion. In particular, the proposed MGMN consists of a node-graph matching network for effectively learning cross-level interactions between each node of one graph and the other whole graph, and a siamese graph neural network to learn global-level interactions between two input graphs. Furthermore, to compensate for the lack of standard benchmark datasets, we have created and collected a set of datasets for both the graph-graph classification and graph-graph regression tasks with different sizes in order to evaluate the effectiveness and robustness of our models. Comprehensive experiments demonstrate that MGMN consistently outperforms state-of-the-art baseline models on both the graph-graph classification and graph-graph regression tasks. Compared with previous work, MGMN also exhibits stronger robustness as the sizes of the two input graphs increase.
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