The use of background knowledge remains largely unexploited in many text classification tasks. In this work, we explore word taxonomies as means for constructing new semantic features, which may improve the performance and robustness of the learned classifiers. We propose tax2vec, a parallel algorithm for constructing taxonomy based features, and demonstrate its use on six short-text classification problems, including gender, age and personality type prediction, drug effectiveness and side effect prediction, and news topic prediction. The experimental results indicate that the interpretable features constructed using tax2vec can notably improve the performance of classifiers; the constructed features, in combination with fast, linear classifiers tested against strong baselines, such as hierarchical attention neural networks, achieved comparable or better classification results on short documents. Further, tax2vec can also serve for extraction of corpus-specific keywords. Finally, we investigated the semantic space of potential features where we observe a similarity with the well known Zipf's law.
We study the problem of representation learning in heterogeneous networks. Its unique challenges come from the existence of multiple types of nodes and links, which limit the feasibility of the conventional network embedding techniques. We develop two scalable representation learning models, namely metapath2vec and metapath2vec++. The metapath2vec model formalizes meta-path-based random walks to construct the heterogeneous neighborhood of a node and then leverages a heterogeneous skip-gram model to perform node embeddings. The metapath2vec++ model further enables the simultaneous modeling of structural and semantic correlations in heterogeneous networks. Extensive experiments show that metapath2vec and metapath2vec++ are able to not only outperform state-of-the-art embedding models in various heterogeneous network mining tasks, such as node classification, clustering, and similarity search, but also discern the structural and semantic correlations between diverse network objects. Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks. We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional architecture via a localized first-order approximation of spectral graph convolutions. Our model scales linearly in the number of graph edges and learns hidden layer representations that encode both local graph structure and features of nodes. In a number of experiments on citation networks and on a knowledge graph dataset we demonstrate that our approach outperforms related methods by a significant margin. Inspired by natural language processing techniques, we here introduce Mol2vec, which is an unsupervised machine learning approach to learn vector representations of molecular substructures. Like the Word2vec models, where vectors of closely related words are in close proximity in the vector space, Mol2vec learns vector representations of molecular substructures that point in similar directions for chemically related substructures. Compounds can finally be encoded as vectors by summing the vectors of the individual substructures and, for instance, be fed into supervised machine learning approaches to predict compound properties. The underlying substructure vector embeddings are obtained by training an unsupervised machine learning approach on a so-called corpus of compounds that consists of all available chemical matter. The resulting Mol2vec model is pretrained once, yields dense vector representations, and overcomes drawbacks of common compound feature representations such as sparseness and bit collision... Structural identity is a concept of symmetry in which network nodes are identified according to the network structure and their relationship to other nodes. Structural identity has been studied in theory and practice over the past decades, but only recently has it been addressed with representational learning techniques. This work presents struc2vec, a novel and flexible framework for learning latent representations for the structural identity of nodes. struc2vec uses a hierarchy to measure node similarity at different scales, and constructs a multilayer graph to encode structural similarities and generate structural context for nodes. Numerical experiments indicate that state-of-the-art techniques for learning node representations fail in capturing stronger notions of structural identity, while struc2vec exhibits much superior performance in this task, as it overcomes limitations of prior approaches. As a consequence, numerical experiments indicate that struc2vec improves performance on classification tasks that depend more on structural identity. Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.