Most existing knowledge graphs suffer from incompleteness, which can be alleviated by inferring missing links based on known facts. One popular way to accomplish this is to generate low-dimensional embeddings of entities and relations, and use these to make inferences. ConvE, a recently proposed approach, applies convolutional filters on 2D reshapings of entity and relation embeddings in order to capture rich interactions between their components. However, the number of interactions that ConvE can capture is limited. In this paper, we analyze how increasing the number of these interactions affects link prediction performance, and utilize our observations to propose InteractE. InteractE is based on three key ideas -- feature permutation, a novel feature reshaping, and circular convolution. Through extensive experiments, we find that InteractE outperforms state-of-the-art convolutional link prediction baselines on FB15k-237. Further, InteractE achieves an MRR score that is 9%, 7.5%, and 23% better than ConvE on the FB15k-237, WN18RR and YAGO3-10 datasets respectively. The results validate our central hypothesis -- that increasing feature interaction is beneficial to link prediction performance. We make the source code of InteractE available to encourage reproducible research.
Recommender Systems have proliferated as general-purpose approaches to model a wide variety of consumer interaction data. Specific instances make use of signals ranging from user feedback, item relationships, geographic locality, social influence (etc.). Typically, research proceeds by showing that making use of a specific signal (within a carefully designed model) allows for higher-fidelity recommendations on a particular dataset. Of course, the real situation is more nuanced, in which a combination of many signals may be at play, or favored in different proportion by individual users. Here we seek to develop a framework that is capable of combining such heterogeneous item relationships by simultaneously modeling (a) what modality of recommendation is a user likely to be susceptible to at a particular point in time; and (b) what is the best recommendation from each modality. Our method borrows ideas from mixtures-of-experts approaches as well as knowledge graph embeddings. We find that our approach naturally yields more accurate recommendations than alternatives, while also providing intuitive `explanations' behind the recommendations it provides.
In this paper, we focus on the classification of books using short descriptive texts (cover blurbs) and additional metadata. Building upon BERT, a deep neural language model, we demonstrate how to combine text representations with metadata and knowledge graph embeddings, which encode author information. Compared to the standard BERT approach we achieve considerably better results for the classification task. For a more coarse-grained classification using eight labels we achieve an F1- score of 87.20, while a detailed classification using 343 labels yields an F1-score of 64.70. We make the source code and trained models of our experiments publicly available
Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost. Presently, most drug-related knowledge is the result of clinical evaluations and post-marketing surveillance; resulting in a limited amount of information. Existing data-driven prediction approaches for DDIs typically rely on a single source of information, while using information from multiple sources would help improve predictions. Machine learning (ML) techniques are used, but the techniques are often unable to deal with skewness in the data. Hence, we propose a new ML approach for predicting DDIs based on multiple data sources. For this task, we use 12,000 drug features from DrugBank, PharmGKB, and KEGG drugs, which are integrated using Knowledge Graphs (KGs). To train our prediction model, we first embed the nodes in the graph using various embedding approaches. We found that the best performing combination was a ComplEx embedding method creating using PyTorch-BigGraph (PBG) with a Convolutional-LSTM network and classic machine learning-based prediction models. The model averaging ensemble method of three best classifiers yields up to 0.94, 0.92, 0.80 for AUPR, F1-score, and MCC, respectively during 5-fold cross-validation tests.
Knowledge graph embeddings rank among the most successful methods for link prediction in knowledge graphs, i.e., the task of completing an incomplete collection of relational facts. A downside of these models is their strong sensitivity to model hyperparameters, in particular regularizers, which have to be extensively tuned to reach good performance [Kadlec et al., 2017]. We propose an efficient method for large scale hyperparameter tuning by interpreting these models in a probabilistic framework. After a model augmentation that introduces per-entity hyperparameters, we use a variational expectation-maximization approach to tune thousands of such hyperparameters with minimal additional cost. Our approach is agnostic to details of the model and results in a new state of the art in link prediction on standard benchmark data.
Recent advances in Neural Variational Inference allowed for a renaissance in latent variable models in a variety of domains involving high-dimensional data. While traditional variational methods derive an analytical approximation for the intractable distribution over the latent variables, here we construct an inference network conditioned on the symbolic representation of entities and relation types in the Knowledge Graph, to provide the variational distributions. The new framework results in a highly-scalable method. Under a Bernoulli sampling framework, we provide an alternative justification for commonly used techniques in large-scale stochastic variational inference, which drastically reduce training time at a cost of an additional approximation to the variational lower bound. We introduce two models from this highly scalable probabilistic framework, namely the Latent Information and Latent Fact models, for reasoning over knowledge graph-based representations. Our Latent Information and Latent Fact models improve upon baseline performance under certain conditions. We use the learnt embedding variance to estimate predictive uncertainty during link prediction, and discuss the quality of these learnt uncertainty estimates. Our source code and datasets are publicly available online at https://github.com/alexanderimanicowenrivers/Neural-Variational-Knowledge-Graphs.
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.
Tensor factorization has become an increasingly popular approach to knowledge graph completion(KGC), which is the task of automatically predicting missing facts in a knowledge graph. However, even with a simple model like CANDECOMP/PARAFAC(CP) tensor decomposition, KGC on existing knowledge graphs is impractical in resource-limited environments, as a large amount of memory is required to store parameters represented as 32-bit or 64-bit floating point numbers. This limitation is expected to become more stringent as existing knowledge graphs, which are already huge, keep steadily growing in scale. To reduce the memory requirement, we present a method for binarizing the parameters of the CP tensor decomposition by introducing a quantization function to the optimization problem. This method replaces floating point-valued parameters with binary ones after training, which drastically reduces the model size at run time. We investigate the trade-off between the quality and size of tensor factorization models for several KGC benchmark datasets. In our experiments, the proposed method successfully reduced the model size by more than an order of magnitude while maintaining the task performance. Moreover, a fast score computation technique can be developed with bitwise operations.
Multi-hop reasoning is an effective approach for query answering (QA) over incomplete knowledge graphs (KGs). The problem can be formulated in a reinforcement learning (RL) setup, where a policy-based agent sequentially extends its inference path until it reaches a target. However, in an incomplete KG environment, the agent receives low-quality rewards corrupted by false negatives in the training data, which harms generalization at test time. Furthermore, since no golden action sequence is used for training, the agent can be misled by spurious search trajectories that incidentally lead to the correct answer. We propose two modeling advances to address both issues: (1) we reduce the impact of false negative supervision by adopting a pretrained one-hop embedding model to estimate the reward of unobserved facts; (2) we counter the sensitivity to spurious paths of on-policy RL by forcing the agent to explore a diverse set of paths using randomly generated edge masks. Our approach significantly improves over existing path-based KGQA models on several benchmark datasets and is comparable or better than embedding-based models.
Knowledge graphs are graphical representations of large databases of facts, which typically suffer from incompleteness. Inferring missing relations (links) between entities (nodes) is the task of link prediction. A recent state-of-the-art approach to link prediction, ConvE, implements a convolutional neural network to extract features from concatenated subject and relation vectors. Whilst results are impressive, the method is unintuitive and poorly understood. We propose a hypernetwork architecture that generates simplified relation-specific convolutional filters that (i) outperforms ConvE and all previous approaches across standard datasets; and (ii) can be framed as tensor factorization and thus set within a well established family of factorization models for link prediction. We thus demonstrate that convolution simply offers a convenient computational means of introducing sparsity and parameter tying to find an effective trade-off between non-linear expressiveness and the number of parameters to learn.
We present an end-to-end approach that takes unstructured textual input and generates structured output compliant with a given vocabulary. Inspired by recent successes in neural machine translation, we treat the triples within a given knowledge graph as an independent graph language and propose an encoder-decoder framework with an attention mechanism that leverages knowledge graph embeddings. Our model learns the mapping from natural language text to triple representation in the form of subject-predicate-object using the selected knowledge graph vocabulary. Experiments on three different data sets show that we achieve competitive F1-Measures over the baselines using our simple yet effective approach. A demo video is included.
We study a symmetric collaborative dialogue setting in which two agents, each with private knowledge, must strategically communicate to achieve a common goal. The open-ended dialogue state in this setting poses new challenges for existing dialogue systems. We collected a dataset of 11K human-human dialogues, which exhibits interesting lexical, semantic, and strategic elements. To model both structured knowledge and unstructured language, we propose a neural model with dynamic knowledge graph embeddings that evolve as the dialogue progresses. Automatic and human evaluations show that our model is both more effective at achieving the goal and more human-like than baseline neural and rule-based models.
This paper shows that a simple baseline based on a Bag-of-Words (BoW) representation learns surprisingly good knowledge graph embeddings. By casting knowledge base completion and question answering as supervised classification problems, we observe that modeling co-occurences of entities and relations leads to state-of-the-art performance with a training time of a few minutes using the open sourced library fastText.
We study the problem of learning to reason in large scale knowledge graphs (KGs). More specifically, we describe a novel reinforcement learning framework for learning multi-hop relational paths: we use a policy-based agent with continuous states based on knowledge graph embeddings, which reasons in a KG vector space by sampling the most promising relation to extend its path. In contrast to prior work, our approach includes a reward function that takes the accuracy, diversity, and efficiency into consideration. Experimentally, we show that our proposed method outperforms a path-ranking based algorithm and knowledge graph embedding methods on Freebase and Never-Ending Language Learning datasets.
Knowledge graphs are large, useful, but incomplete knowledge repositories. They encode knowledge through entities and relations which define each other through the connective structure of the graph. This has inspired methods for the joint embedding of entities and relations in continuous low-dimensional vector spaces, that can be used to induce new edges in the graph, i.e., link prediction in knowledge graphs. Learning these representations relies on contrasting positive instances with negative ones. Knowledge graphs include only positive relation instances, leaving the door open for a variety of methods for selecting negative examples. In this paper we present an empirical study on the impact of negative sampling on the learned embeddings, assessed through the task of link prediction. We use state-of-the-art knowledge graph embeddings -- \rescal , TransE, DistMult and ComplEX -- and evaluate on benchmark datasets -- FB15k and WN18. We compare well known methods for negative sampling and additionally propose embedding based sampling methods. We note a marked difference in the impact of these sampling methods on the two datasets, with the "traditional" corrupting positives method leading to best results on WN18, while embedding based methods benefiting the task on FB15k.
Knowledge Graph Embedding methods aim at representing entities and relations in a knowledge base as points or vectors in a continuous vector space. Several approaches using embeddings have shown promising results on tasks such as link prediction, entity recommendation, question answering, and triplet classification. However, only a few methods can compute low-dimensional embeddings of very large knowledge bases without needing state-of-the-art computational resources. In this paper, we propose KG2Vec, a simple and fast approach to Knowledge Graph Embedding based on the skip-gram model. Instead of using a predefined scoring function, we learn it relying on Long Short-Term Memories. We show that our embeddings achieve results comparable with the most scalable approaches on knowledge graph completion as well as on a new metric. Yet, KG2Vec can embed large graphs in lesser time by processing more than 250 million triples in less than 7 hours on common hardware.
A visual-relational knowledge graph (KG) is a multi-relational graph whose entities are associated with images. We explore novel machine learning approaches for answering visual-relational queries in web-extracted knowledge graphs. To this end, we have created ImageGraph, a KG with 1,330 relation types, 14,870 entities, and 829,931 images crawled from the web. With visual-relational KGs such as ImageGraph one can introduce novel probabilistic query types in which images are treated as first-class citizens. Both the prediction of relations between unseen images as well as multi-relational image retrieval can be expressed with specific families of visual-relational queries. We introduce novel combinations of convolutional networks and knowledge graph embedding methods to answer such queries. We also explore a zero-shot learning scenario where an image of an entirely new entity is linked with multiple relations to entities of an existing KG. The resulting multi-relational grounding of unseen entity images into a knowledge graph serves as a semantic entity representation. We conduct experiments to demonstrate that the proposed methods can answer these visual-relational queries efficiently and accurately.
Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across most datasets.
We introduce KBGAN, an adversarial learning framework to improve the performances of a wide range of existing knowledge graph embedding models. Because knowledge graphs typically only contain positive facts, sampling useful negative training examples is a non-trivial task. Replacing the head or tail entity of a fact with a uniformly randomly selected entity is a conventional method for generating negative facts, but the majority of the generated negative facts can be easily discriminated from positive facts, and will contribute little towards the training. Inspired by generative adversarial networks (GANs), we use one knowledge graph embedding model as a negative sample generator to assist the training of our desired model, which acts as the discriminator in GANs. This framework is independent of the concrete form of generator and discriminator, and therefore can utilize a wide variety of knowledge graph embedding models as its building blocks. In experiments, we adversarially train two translation-based models, TransE and TransD, each with assistance from one of the two probability-based models, DistMult and ComplEx. We evaluate the performances of KBGAN on the link prediction task, using three knowledge base completion datasets: FB15k-237, WN18 and WN18RR. Experimental results show that adversarial training substantially improves the performances of target embedding models under various settings.
Knowledge graphs, on top of entities and their relationships, contain other important elements: literals. Literals encode interesting properties (e.g. the height) of entities that are not captured by links between entities alone. Most of the existing work on embedding (or latent feature) based knowledge graph analysis focuses mainly on the relations between entities. In this work, we study the effect of incorporating literal information into existing link prediction methods. Our approach, which we name LiteralE, is an extension that can be plugged into existing latent feature methods. LiteralE merges entity embeddings with their literal information using a learnable, parametrized function, such as a simple linear or nonlinear transformation, or a multilayer neural network. We extend several popular embedding models based on LiteralE and evaluate their performance on the task of link prediction. Despite its simplicity, LiteralE proves to be an effective way to incorporate literal information into existing embedding based methods, improving their performance on different standard datasets, which we augmented with their literals and provide as testbed for further research.