Capturing the composition patterns of relations is a vital task in knowledge graph completion. It also serves as a fundamental step towards multi-hop reasoning over learned knowledge. Previously, several rotation-based translational methods have been developed to model composite relations using the product of a series of complex-valued diagonal matrices. However, these methods tend to make several oversimplified assumptions on the composite relations, e.g., forcing them to be commutative, independent from entities and lacking semantic hierarchy. To systematically tackle these problems, we have developed a novel knowledge graph embedding method, named DensE, to provide an improved modeling scheme for the complex composition patterns of relations. In particular, our method decomposes each relation into an SO(3) group-based rotation operator and a scaling operator in the three dimensional (3-D) Euclidean space. This design principle leads to several advantages of our method: (1) For composite relations, the corresponding diagonal relation matrices can be non-commutative, reflecting a predominant scenario in real world applications; (2) Our model preserves the natural interaction between relational operations and entity embeddings; (3) The scaling operation provides the modeling power for the intrinsic semantic hierarchical structure of entities; (4) The enhanced expressiveness of DensE is achieved with high computational efficiency in terms of both parameter size and training time; and (5) Modeling entities in Euclidean space instead of quaternion space keeps the direct geometrical interpretations of relational patterns. Experimental results on multiple benchmark knowledge graphs show that DensE outperforms the current state-of-the-art models for missing link prediction, especially on composite relations.
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Video question answering requires the models to understand and reason about both the complex video and language data to correctly derive the answers. Existing efforts have been focused on designing sophisticated cross-modal interactions to fuse the information from two modalities, while encoding the video and question holistically as frame and word sequences. Despite their success, these methods are essentially revolving around the sequential nature of video- and question-contents, providing little insight to the problem of question-answering and lacking interpretability as well. In this work, we argue that while video is presented in frame sequence, the visual elements (e.g., objects, actions, activities and events) are not sequential but rather hierarchical in semantic space. To align with the multi-granular essence of linguistic concepts in language queries, we propose to model video as a conditional graph hierarchy which weaves together visual facts of different granularity in a level-wise manner, with the guidance of corresponding textual cues. Despite the simplicity, our extensive experiments demonstrate the superiority of such conditional hierarchical graph architecture, with clear performance improvements over prior methods and also better generalization across different type of questions. Further analyses also demonstrate the model's reliability as it shows meaningful visual-textual evidences for the predicted answers.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Knowledge graph (KG) embeddings learn low-dimensional representations of entities and relations to predict missing facts. KGs often exhibit hierarchical and logical patterns which must be preserved in the embedding space. For hierarchical data, hyperbolic embedding methods have shown promise for high-fidelity and parsimonious representations. However, existing hyperbolic embedding methods do not account for the rich logical patterns in KGs. In this work, we introduce a class of hyperbolic KG embedding models that simultaneously capture hierarchical and logical patterns. Our approach combines hyperbolic reflections and rotations with attention to model complex relational patterns. Experimental results on standard KG benchmarks show that our method improves over previous Euclidean- and hyperbolic-based efforts by up to 6.1% in mean reciprocal rank (MRR) in low dimensions. Furthermore, we observe that different geometric transformations capture different types of relations while attention-based transformations generalize to multiple relations. In high dimensions, our approach yields new state-of-the-art MRRs of 49.6% on WN18RR and 57.7% on YAGO3-10.
Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing knowledge graph embedding models mainly focus on modeling relation patterns such as symmetry/antisymmetry, inversion, and composition. However, many existing approaches fail to model semantic hierarchies, which are common in real-world applications. To address this challenge, we propose a novel knowledge graph embedding model---namely, Hierarchy-Aware Knowledge Graph Embedding (HAKE)---which maps entities into the polar coordinate system. HAKE is inspired by the fact that concentric circles in the polar coordinate system can naturally reflect the hierarchy. Specifically, the radial coordinate aims to model entities at different levels of the hierarchy, and entities with smaller radii are expected to be at higher levels; the angular coordinate aims to distinguish entities at the same level of the hierarchy, and these entities are expected to have roughly the same radii but different angles. Experiments demonstrate that HAKE can effectively model the semantic hierarchies in knowledge graphs, and significantly outperforms existing state-of-the-art methods on benchmark datasets for the link prediction task.
Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.
Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.
Knowledge graphs capture interlinked information between entities and they represent an attractive source of structured information that can be harnessed for recommender systems. However, existing recommender engines use knowledge graphs by manually designing features, do not allow for end-to-end training, or provide poor scalability. Here we propose Knowledge Graph Convolutional Networks (KGCN), an end-to-end trainable framework that harnesses item relationships captured by the knowledge graph to provide better recommendations. Conceptually, KGCN computes user-specific item embeddings by first applying a trainable function that identifies important knowledge graph relations for a given user and then transforming the knowledge graph into a user-specific weighted graph. Then, KGCN applies a graph convolutional neural network that computes an embedding of an item node by propagating and aggregating knowledge graph neighborhood information. Moreover, to provide better inductive bias KGCN uses label smoothness (LS), which provides regularization over edge weights and we prove that it is equivalent to label propagation scheme on a graph. Finally, We unify KGCN and LS regularization, and present a scalable minibatch implementation for KGCN-LS model. Experiments show that KGCN-LS outperforms strong baselines in four datasets. KGCN-LS also achieves great performance in sparse scenarios and is highly scalable with respect to the knowledge graph size.
Inferring missing links in knowledge graphs (KG) has attracted a lot of attention from the research community. In this paper, we tackle a practical query answering task involving predicting the relation of a given entity pair. We frame this prediction problem as an inference problem in a probabilistic graphical model and aim at resolving it from a variational inference perspective. In order to model the relation between the query entity pair, we assume that there exists an underlying latent variable (paths connecting two nodes) in the KG, which carries the equivalent semantics of their relations. However, due to the intractability of connections in large KGs, we propose to use variation inference to maximize the evidence lower bound. More specifically, our framework (\textsc{Diva}) is composed of three modules, i.e. a posterior approximator, a prior (path finder), and a likelihood (path reasoner). By using variational inference, we are able to incorporate them closely into a unified architecture and jointly optimize them to perform KG reasoning. With active interactions among these sub-modules, \textsc{Diva} is better at handling noise and coping with more complex reasoning scenarios. In order to evaluate our method, we conduct the experiment of the link prediction task on multiple datasets and achieve state-of-the-art performances on both datasets.
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