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Amine bases go beyond their typical proton shuttle role in the macrolactamization of pseudoxylallemycin, as we diastereoselectively synthesize the natural product and analogues thereof to explore their characterization and biological activity.

 

Taxonomies are fundamental to many real-world applications in various domains, serving as structural representations of knowledge. To deal with the increasing volume of new concepts needed to be organized as taxonomies, researchers turn to automatically completion of an existing taxonomy with new concepts. In this paper, we propose TaxoEnrich, a new taxonomy completion framework, which effectively leverages both semantic features and structural information in the existing taxonomy and offers a better representation of candidate position to boost the performance of taxonomy completion. Specifically, TaxoEnrich consists of four components: (1) taxonomy-contextualized embedding which incorporates both semantic meanings of concept and taxonomic relations based on powerful pretrained language models; (2) a taxonomy-aware sequential encoder which learns candidate position representations by encoding the structural information of taxonomy; (3) a query-aware sibling encoder which adaptively aggregates candidate siblings to augment candidate position representations based on their importance to the query-position matching; (4) a query-position matching model which extends existing work with our new candidate position representations. Extensive experiments on four large real-world datasets from different domains show that TaxoEnrich achieves the best performance among all evaluation metrics and outperforms previous state-of-the-art methods by a large margin. 

Network representation learning aims at transferring node proximity in networks into distributed vectors, which can be leveraged in various downstream applications. Recent research has shown that nodes in a network can often be organized in latent hierarchical structures, but without a particular underlying taxonomy, the learned node embedding is less useful nor interpretable. In this work, we aim to improve network embedding by modeling the conditional node proximity in networks indicated by node labels residing in real taxonomies. In the meantime, we also aim to model the hierarchical label proximity in the given taxonomies, which is too coarse by solely looking at the hierarchical topologies. Comprehensive experiments and case studies demonstrate the utility of TAXOGAN.

 

Network embedding aims at transferring node proximity in networks into distributed vectors, which can be leveraged in various downstream applications. Recent research has shown that nodes in a network can often be organized in latent hierarchical structures, but without a particular underlying taxonomy, the learned node embedding is less useful nor interpretable. In this work, we aim to improve network embedding by modeling the conditional node proximity in networks indicated by node labels residing in real taxonomies. In the meantime, we also aim to model the hierarchical label proximity in the given taxonomies, which is too coarse by solely looking at the hierarchical topologies. To this end, we propose TAXOGAN to co-embed network nodes and hierarchical labels, through a hierarchical network generation process. Particularly, TAXOGAN models the child labels and network nodes of each parent label in an individual embedding space while learning to transfer network proximity among the spaces of hierarchical labels through stacked network generators and embedding encoders. To enable robust and efficient model inference, we further develop a hierarchical adversarial training process. Comprehensive experiments and case studies on four real-world datasets of networks with hierarchical labels demonstrate the utility of TAXOGAN in improving network embedding on traditional tasks of node classification and link prediction, as well as novel tasks like conditional proximity search and fine-grained taxonomy layout. 

While node semantics have been extensively explored in social networks, little research attention has been paid to profile edge semantics, i.e., social relations. Ideal edge semantics should not only show that two users are connected, but also why they know each other and what they share in common. However, relations in social networks are often hard to profile, due to noisy multi-modal signals and limited user-generated ground-truth labels. In this work, we aim to develop a unified and principled framework that can profile user relations as edge semantics in social networks by integrating multi-modal signals in the presence of noisy and incomplete data. Our framework is also flexible towards limited or missing supervision. Specifically, we assume a latent distribution of multiple relations underlying each user link, and learn them with multi-modal graph edge variational autoencoders. We encode the network data with a graph convolutional network, and decode arbitrary signals with multiple reconstruction networks. Extensive experiments and case studies on two public DBLP author networks and two internal LinkedIn member networks demonstrate the superior effectiveness and efficiency of our proposed model.