Graph-structured data are widespread in real-world applications, such as social networks, recommender systems, knowledge graphs, chemical molecules etc. Despite the success of Euclidean space for graph-related learning tasks, its ability to model complex patterns is essentially constrained by its polynomially growing capacity. Recently, hyperbolic spaces have emerged as a promising alternative for processing graph data with tree-like structure or power-law distribution, owing to the exponential growth property. Different from Euclidean space, which expands polynomially, the hyperbolic space grows exponentially which makes it gains natural advantages in abstracting tree-like or scale-free graphs with hierarchical organizations. In this tutorial, we aim to give an introduction to this emerging field of graph representation learning with the express purpose of being accessible to all audiences. We first give a brief introduction to graph representation learning as well as some preliminary Riemannian and hyperbolic geometry. We then comprehensively revisit the hyperbolic embedding techniques, including hyperbolic shallow models and hyperbolic neural networks. In addition, we introduce the technical details of the current hyperbolic graph neural networks by unifying them into a general framework and summarizing the variants of each component. Moreover, we further introduce a series of related applications in a variety of fields. In the last part, we discuss several advanced topics about hyperbolic geometry for graph representation learning, which potentially serve as guidelines for further flourishing the non-Euclidean graph learning community.
Sparsity of formal knowledge and roughness of non-ontological construction make sparsity problem particularly prominent in Open Knowledge Graphs (OpenKGs). Due to sparse links, learning effective representation for few-shot entities becomes difficult. We hypothesize that by introducing negative samples, a contrastive learning (CL) formulation could be beneficial in such scenarios. However, existing CL methods model KG triplets as binary objects of entities ignoring the relation-guided ternary propagation patterns and they are too generic, i.e., they ignore zero-shot, few-shot and synonymity problems that appear in OpenKGs. To address this, we propose TernaryCL, a CL framework based on ternary propagation patterns among head, relation and tail. TernaryCL designs Contrastive Entity and Contrastive Relation to mine ternary discriminative features with both negative entities and relations, introduces Contrastive Self to help zero- and few-shot entities learn discriminative features, Contrastive Synonym to model synonymous entities, and Contrastive Fusion to aggregate graph features from multiple paths. Extensive experiments on benchmarks demonstrate the superiority of TernaryCL over state-of-the-art models.
Modern supervised learning neural network models require a large amount of manually labeled data, which makes the construction of domain-specific knowledge graphs time-consuming and labor-intensive. In parallel, although there has been much research on named entity recognition and relation extraction based on distantly supervised learning, constructing a domain-specific knowledge graph from large collections of textual data without manual annotations is still an urgent problem to be solved. In response, we propose an integrated framework for adapting and re-learning knowledge graphs from one coarse domain (biomedical) to a finer-define domain (oncology). In this framework, we apply distant-supervision on cross-domain knowledge graph adaptation. Consequently, no manual data annotation is required to train the model. We introduce a novel iterative training strategy to facilitate the discovery of domain-specific named entities and triples. Experimental results indicate that the proposed framework can perform domain adaptation and construction of knowledge graph efficiently.
Entity alignment is to find identical entities in different knowledge graphs (KGs) that refer to the same real-world object. Embedding-based entity alignment techniques have been drawing a lot of attention recently because they can help solve the issue of symbolic heterogeneity in different KGs. However, in this paper, we show that the progress made in the past was due to biased and unchallenging evaluation. We highlight two major flaws in existing datasets that favor embedding-based entity alignment techniques, i.e., the isomorphic graph structures in relation triples and the weak heterogeneity in attribute triples. Towards a critical evaluation of embedding-based entity alignment methods, we construct a new dataset with heterogeneous relations and attributes based on event-centric KGs. We conduct extensive experiments to evaluate existing popular methods, and find that they fail to achieve promising performance. As a new approach to this difficult problem, we propose a time-aware literal encoder for entity alignment. The dataset and source code are publicly available to foster future research. Our work calls for more effective and practical embedding-based solutions to entity alignment.
The ability of knowledge graphs to represent complex relationships at scale has led to their adoption for various needs including knowledge representation, question-answering, and recommendation systems. Knowledge graphs are often incomplete in the information they represent, necessitating the need for knowledge graph completion tasks. Pre-trained and fine-tuned language models have shown promise in these tasks although these models ignore the intrinsic information encoded in the knowledge graph, namely the entity and relation types. In this work, we propose the Knowledge Graph Language Model (KGLM) architecture, where we introduce a new entity/relation embedding layer that learns to differentiate distinctive entity and relation types, therefore allowing the model to learn the structure of the knowledge graph. In this work, we show that further pre-training the language models with this additional embedding layer using the triples extracted from the knowledge graph, followed by the standard fine-tuning phase sets a new state-of-the-art performance for the link prediction task on the benchmark datasets.
Knowledge graph embedding (KGE) is an increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.
Patent retrieval influences several applications within engineering design research, education, and practice as well as applications that concern innovation, intellectual property, and knowledge management etc. In this article, we propose a method to retrieve patents relevant to an initial set of patents, by synthesizing state-of-the-art techniques among natural language processing and knowledge graph embedding. Our method involves a patent embedding that captures text, citation, and inventor information, which individually represent different facets of knowledge communicated through a patent document. We obtain text embeddings using Sentence-BERT applied to titles and abstracts. We obtain citation and inventor embeddings through TransE that is trained using the corresponding knowledge graphs. We identify using a classification task that the concatenation of text, citation, and inventor embeddings offers a plausible representation of a patent. While the proposed patent embedding could be used to associate a pair of patents, we observe using a recall task that multiple initial patents could be associated with a target patent using mean cosine similarity, which could then be utilized to rank all target patents and retrieve the most relevant ones. We apply the proposed patent retrieval method to a set of patents corresponding to a product family and an inventor's portfolio.
Bi-encoder architectures for distantly-supervised relation extraction are designed to make use of the complementary information found in text and knowledge graphs (KG). However, current architectures suffer from two drawbacks. They either do not allow any sharing between the text encoder and the KG encoder at all, or, in case of models with KG-to-text attention, only share information in one direction. Here, we introduce cross-stitch bi-encoders, which allow full interaction between the text encoder and the KG encoder via a cross-stitch mechanism. The cross-stitch mechanism allows sharing and updating representations between the two encoders at any layer, with the amount of sharing being dynamically controlled via cross-attention-based gates. Experimental results on two relation extraction benchmarks from two different domains show that enabling full interaction between the two encoders yields strong improvements.
Most of the existing knowledge graphs are not usually complete and can be complemented by some reasoning algorithms. The reasoning method based on path features is widely used in the field of knowledge graph reasoning and completion on account of that its have strong interpretability. However, reasoning methods based on path features still have several problems in the following aspects: Path search isinefficient, insufficient paths for sparse tasks and some paths are not helpful for reasoning tasks. In order to solve the above problems, this paper proposes a method called DC-Path that combines dynamic relation confidence and other indicators to evaluate path features, and then guide path search, finally conduct relation reasoning. Experimental result show that compared with the existing relation reasoning algorithm, this method can select the most representative features in the current reasoning task from the knowledge graph and achieve better performance on the current relation reasoning task.
Completing missing facts is a fundamental task for temporal knowledge graphs (TKGs). Recently, graph neural network (GNN) based methods, which can simultaneously explore topological and temporal information, have become the state-of-the-art (SOTA) to complete TKGs. However, these studies are based on hand-designed architectures and fail to explore the diverse topological and temporal properties of TKG. To address this issue, we propose to use neural architecture search (NAS) to design data-specific message passing architecture for TKG completion. In particular, we develop a generalized framework to explore topological and temporal information in TKGs. Based on this framework, we design an expressive search space to fully capture various properties of different TKGs. Meanwhile, we adopt a search algorithm, which trains a supernet structure by sampling single path for efficient search with less cost. We further conduct extensive experiments on three benchmark datasets. The results show that the searched architectures by our method achieve the SOTA performances. Besides, the searched models can also implicitly reveal diverse properties in different TKGs. Our code is released in https://github.com/striderdu/SPA.
Extrapolation of adverse biological (toxic) effects of chemicals is an important contribution to expand available hazard data in (eco)toxicology without the use of animals in laboratory experiments. In this work, we extrapolate effects based on a knowledge graph (KG) consisting of the most relevant effect data as domain-specific background knowledge. An effect prediction model, with and without background knowledge, was used to predict mean adverse biological effect concentration of chemicals as a prototypical type of stressors. The background knowledge improves the model prediction performance by up to 40\% in terms of $R^2$ (\ie coefficient of determination). We use the KG and KG embeddings to provide quantitative and qualitative insights into the predictions. These insights are expected to improve the confidence in effect prediction. Larger scale implementation of such extrapolation models should be expected to support hazard and risk assessment, by simplifying and reducing testing needs.
The most interesting words in scientific texts will often be novel or rare. This presents a challenge for scientific word embedding models to determine quality embedding vectors for useful terms that are infrequent or newly emerging. We demonstrate how \gls{lsi} can address this problem by imputing embeddings for domain-specific words from up-to-date knowledge graphs while otherwise preserving the original word embedding model. We use the MeSH knowledge graph to impute embedding vectors for biomedical terminology without retraining and evaluate the resulting embedding model on a domain-specific word-pair similarity task. We show that LSI can produce reliable embedding vectors for rare and OOV terms in the biomedical domain.
Knowledge graphs have been adopted in many diverse fields for a variety of purposes. Most of those applications rely on valid and complete data to deliver their results, pressing the need to improve the quality of knowledge graphs. A number of solutions have been proposed to that end, ranging from rule-based approaches to the use of probabilistic methods, but there is an element that has not been considered yet: the edit history of the graph. In the case of collaborative knowledge graphs (e.g., Wikidata), those edits represent the process in which the community reaches some kind of fuzzy and distributed consensus over the information that best represents each entity, and can hold potentially interesting information to be used by knowledge graph refinement methods. In this paper, we explore the use of edit history information from Wikidata to improve the performance of type prediction methods. To do that, we have first built a JSON dataset containing the edit history of every instance from the 100 most important classes in Wikidata. This edit history information is then explored and analyzed, with a focus on its potential applicability in knowledge graph refinement tasks. Finally, we propose and evaluate two new methods to leverage this edit history information in knowledge graph embedding models for type prediction tasks. Our results show an improvement in one of the proposed methods against current approaches, showing the potential of using edit information in knowledge graph refinement tasks and opening new promising research lines within the field.
Knowledge graph (KG) reasoning is an important problem for knowledge graphs. In this paper, we propose a novel and principled framework called \textbf{RulE} (stands for {Rul}e {E}mbedding) to effectively leverage logical rules to enhance KG reasoning. Unlike knowledge graph embedding (KGE) methods, RulE learns rule embeddings from existing triplets and first-order {rules} by jointly representing \textbf{entities}, \textbf{relations} and \textbf{logical rules} in a unified embedding space. Based on the learned rule embeddings, a confidence score can be calculated for each rule, reflecting its consistency with the observed triplets. This allows us to perform logical rule inference in a soft way, thus alleviating the brittleness of logic. On the other hand, RulE injects prior logical rule information into the embedding space, enriching and regularizing the entity/relation embeddings. This makes KGE alone perform better too. RulE is conceptually simple and empirically effective. We conduct extensive experiments to verify each component of RulE. Results on multiple benchmarks reveal that our model outperforms the majority of existing embedding-based and rule-based approaches.
Embedding knowledge graphs (KGs) for multi-hop logical reasoning is a challenging problem due to massive and complicated structures in many KGs. Recently, many promising works projected entities and queries into a geometric space to efficiently find answers. However, it remains challenging to model the negation and union operator. The negation operator has no strict boundaries, which generates overlapped embeddings and leads to obtaining ambiguous answers. An additional limitation is that the union operator is non-closure, which undermines the model to handle a series of union operators. To address these problems, we propose a novel probabilistic embedding model, namely Gamma Embeddings (GammaE), for encoding entities and queries to answer different types of FOL queries on KGs. We utilize the linear property and strong boundary support of the Gamma distribution to capture more features of entities and queries, which dramatically reduces model uncertainty. Furthermore, GammaE implements the Gamma mixture method to design the closed union operator. The performance of GammaE is validated on three large logical query datasets. Experimental results show that GammaE significantly outperforms state-of-the-art models on public benchmarks.
Inductive knowledge graph completion requires models to comprehend the underlying semantics and logic patterns of relations. With the advance of pretrained language models, recent research have designed transformers for link prediction tasks. However, empirical studies show that linearizing triples affects the learning of relational patterns, such as inversion and symmetry. In this paper, we propose Bi-Link, a contrastive learning framework with probabilistic syntax prompts for link predictions. Using grammatical knowledge of BERT, we efficiently search for relational prompts according to learnt syntactical patterns that generalize to large knowledge graphs. To better express symmetric relations, we design a symmetric link prediction model, establishing bidirectional linking between forward prediction and backward prediction. This bidirectional linking accommodates flexible self-ensemble strategies at test time. In our experiments, Bi-Link outperforms recent baselines on link prediction datasets (WN18RR, FB15K-237, and Wikidata5M). Furthermore, we construct Zeshel-Ind as an in-domain inductive entity linking the environment to evaluate Bi-Link. The experimental results demonstrate that our method yields robust representations which can generalize under domain shift.
Knowledge Graphs are repositories of information that gather data from a multitude of domains and sources in the form of semantic triples, serving as a source of structured data for various crucial applications in the modern web landscape, from Wikipedia infoboxes to search engines. Such graphs mainly serve as secondary sources of information and depend on well-documented and verifiable provenance to ensure their trustworthiness and usability. However, their ability to systematically assess and assure the quality of this provenance, most crucially whether it properly supports the graph's information, relies mainly on manual processes that do not scale with size. ProVe aims at remedying this, consisting of a pipelined approach that automatically verifies whether a Knowledge Graph triple is supported by text extracted from its documented provenance. ProVe is intended to assist information curators and consists of four main steps involving rule-based methods and machine learning models: text extraction, triple verbalisation, sentence selection, and claim verification. ProVe is evaluated on a Wikidata dataset, achieving promising results overall and excellent performance on the binary classification task of detecting support from provenance, with 87.5% accuracy and 82.9% F1-macro on text-rich sources. The evaluation data and scripts used in this paper are available on GitHub and Figshare.
Digital Twins are digital representations of systems in the Internet of Things (IoT) that are often based on AI models that are trained on data from those systems. Semantic models are used increasingly to link these datasets from different stages of the IoT systems life-cycle together and to automatically configure the AI modelling pipelines. This combination of semantic models with AI pipelines running on external datasets raises unique challenges particular if rolled out at scale. Within this paper we will discuss the unique requirements of applying semantic graphs to automate Digital Twins in different practical use cases. We will introduce the benchmark dataset DTBM that reflects these characteristics and look into the scaling challenges of different knowledge graph technologies. Based on these insights we will propose a reference architecture that is in-use in multiple products in IBM and derive lessons learned for scaling knowledge graphs for configuring AI models for Digital Twins.
Knowledge Graph Question Answering (KGQA) involves retrieving entities as answers from a Knowledge Graph (KG) using natural language queries. The challenge is to learn to reason over question-relevant KG facts that traverse KG entities and lead to the question answers. To facilitate reasoning, the question is decoded into instructions, which are dense question representations used to guide the KG traversals. However, if the derived instructions do not exactly match the underlying KG information, they may lead to reasoning under irrelevant context. Our method, termed ReaRev, introduces a new way to KGQA reasoning with respect to both instruction decoding and execution. To improve instruction decoding, we perform reasoning in an adaptive manner, where KG-aware information is used to iteratively update the initial instructions. To improve instruction execution, we emulate breadth-first search (BFS) with graph neural networks (GNNs). The BFS strategy treats the instructions as a set and allows our method to decide on their execution order on the fly. Experimental results on three KGQA benchmarks demonstrate the ReaRev's effectiveness compared with previous state-of-the-art, especially when the KG is incomplete or when we tackle complex questions. Our code is publicly available at https://github.com/cmavro/ReaRev_KGQA.
Large language models appear to learn facts from the large text corpora they are trained on. Such facts are encoded implicitly within their many parameters, making it difficult to verify or manipulate what knowledge has been learned. Language models have recently been extended to multilingual language models (MLLMs), enabling knowledge to be learned across hundreds of languages. Meanwhile, knowledge graphs contain facts in an explicit triple format, which require careful and costly curation and are only available in a few high-resource languages, restricting their research and application. To address these issues, we propose to enhance MLLMs with knowledge from multilingual knowledge graphs (MLKGs) so as to tackle language and knowledge graph tasks across many languages, including low-resource ones. Specifically, we introduce a lightweight adapter set to enhance MLLMs with cross-lingual entity alignment and facts from MLKGs for many languages. Experiments on common benchmarks show that such enhancement benefits both MLLMs and MLKGs, achieving: (1) comparable or improved performance for knowledge graph completion and entity alignment relative to baselines, especially for low-resource languages (for which knowledge graphs are unavailable); and (2) improved MLLM performance on language understanding tasks that require multilingual factual knowledge; all while maintaining performance on other general language tasks.