skip to main content

Search for: All records

Creators/Authors contains: "Bi, J."

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. Although graph convolutional networks (GCNs) that extend the convolution operation from images to graphs have led to competitive performance, the existing GCNs are still difficult to handle a variety of applications, especially cheminformatics problems. Recently multiple GCNs are applied to chemical compound structures which are represented by the hydrogen-depleted molecular graphs of different size. GCNs built for a binary adjacency matrix that reflects the connectivity among nodes in a graph do not account for the edge consistency in multiple molecular graphs, that is, chemical bonds (edges) in different molecular graphs can be similar due to the similar enthalpy and interatomicmore »distance. In this paper, we propose a variant of GCN where a molecular graph is first decomposed into multiple views of the graph, each comprising a specific type of edges. In each view, an edge consistency constraint is enforced so that similar edges in different graphs can receive similar attention weights when passing information. Similarly to prior work, we prove that in each layer, our method corresponds to a spectral filter derived by the first order Chebyshev approximation of graph Laplacian. Extensive experiments demonstrate the substantial advantages of the proposed technique in quantitative structure-activity relationship prediction.« less
    Free, publicly-accessible full text available July 20, 2022
  2. Clustering is a machine learning paradigm of dividing sample subjects into a number of groups such that subjects in the same groups are more similar to those in other groups. With advances in information acquisition technologies, samples can frequently be viewed from different angles or in different modalities, generating multi-view data. Multi-view clustering, that clusters subjects into subgroups using multi-view data, has attracted more and more attentions. Although MVC methods have been developed rapidly, there has not been enough survey to summarize and analyze the current progress. Therefore, we propose a novel taxonomy of the MVC approaches. Similar with machinemore »learning methods, we categorize them into generative and discriminative classes. In discriminative class, based on the way to integrate multiple views, we split it further into five groups: Common Eigenvector Matrix, Common Coefficient Matrix, Common Indicator Matrix, Direct Combination and Combination After Projection. Furthermore, we discuss the relationships between MVC and some related topics: multi-view representation, ensemble clustering, multi-task clustering, multi-view supervised and semi-supervised learning. Several representative real-world applications are elaborated for practitioners. Some commonly used multi-view datasets are introduced and several representative MVC algorithms from each group are run to conduct the comparison to analyze how and why they perform on those datasets. To promote future development of MVC approaches, we point out several open problems that may require further investigation and thorough examination.« less