Ontology embeddings map classes, relations, and individuals in ontologies into $\mathbb{R}^n$, and within $\mathbb{R}^n$ similarity between entities can be computed or new axioms inferred. For ontologies in the Description Logic $\mathcal{EL}^{++}$, several embedding methods have been developed that explicitly generate models of an ontology. However, these methods suffer from some limitations; they do not distinguish between statements that are unprovable and provably false, and therefore they may use entailed statements as negatives. Furthermore, they do not utilize the deductive closure of an ontology to identify statements that are inferred but not asserted. We evaluated a set of embedding methods for $\mathcal{EL}^{++}$ ontologies, incorporating several modifications that aim to make use of the ontology deductive closure. In particular, we designed novel negative losses that account both for the deductive closure and different types of negatives and formulated evaluation methods for knowledge base completion. We demonstrate that our embedding methods improve over the baseline ontology embedding in the task of knowledge base or ontology completion.
OWL (Web Ontology Language) ontologies, which are able to represent both relational and type facts as standard knowledge graphs and complex domain knowledge in Description Logic (DL) axioms, are widely adopted in domains such as healthcare and bioinformatics. Inspired by the success of knowledge graph embeddings, embedding OWL ontologies has gained significant attention in recent years. Current methods primarily focus on learning embeddings for atomic concepts and roles, enabling the evaluation based on normalized axioms through specially designed score functions. However, they often neglect the embedding of complex concepts, making it difficult to infer with more intricate axioms. This limitation reduces their effectiveness in advanced reasoning tasks, such as Ontology Learning and ontology-mediated Query Answering. In this paper, we propose EL++-closed ontology embeddings which are able to represent any logical expressions in DL via composition. Furthermore, we develop TransBox, an effective EL++-closed ontology embedding method that can handle many-to-one, one-to-many and many-to-many relations. Our extensive experiments demonstrate that TransBox often achieves state-of-the-art performance across various real-world datasets for predicting complex axioms.
Ontology alignment is integral to achieving semantic interoperability as the number of available ontologies covering intersecting domains is increasing. This paper proposes OWL2Vec4OA, an extension of the ontology embedding system OWL2Vec*. While OWL2Vec* has emerged as a powerful technique for ontology embedding, it currently lacks a mechanism to tailor the embedding to the ontology alignment task. OWL2Vec4OA incorporates edge confidence values from seed mappings to guide the random walk strategy. We present the theoretical foundations, implementation details, and experimental evaluation of our proposed extension, demonstrating its potential effectiveness for ontology alignment tasks.
Ontologies are widely used for representing domain knowledge and meta data, playing an increasingly important role in Information Systems, the Semantic Web, Bioinformatics and many other domains. However, logical reasoning that ontologies can directly support are quite limited in learning, approximation and prediction. One straightforward solution is to integrate statistical analysis and machine learning. To this end, automatically learning vector representation for knowledge of an ontology i.e., ontology embedding has been widely investigated in recent years. Numerous papers have been published on ontology embedding, but a lack of systematic reviews hinders researchers from gaining a comprehensive understanding of this field. To bridge this gap, we write this survey paper, which first introduces different kinds of semantics of ontologies, and formally defines ontology embedding from the perspectives of both mathematics and machine learning, as well as its property of faithfulness. Based on this, it systematically categorises and analyses a relatively complete set of over 80 papers, according to the ontologies and semantics that they aim at, and their technical solutions including geometric modeling, sequence modeling and graph propagation. This survey also introduces the applications of ontology embedding in ontology engineering, machine learning augmentation and life sciences, presents a new library mOWL, and discusses the challenges and future directions.
Ontology embeddings map classes, relations, and individuals in ontologies into $\mathbb{R}^n$, and within $\mathbb{R}^n$ similarity between entities can be computed or new axioms inferred. For ontologies in the Description Logic $\mathcal{EL}^{++}$, several embedding methods have been developed that explicitly generate models of an ontology. However, these methods suffer from some limitations; they do not distinguish between statements that are unprovable and provably false, and therefore they may use entailed statements as negatives. Furthermore, they do not utilize the deductive closure of an ontology to identify statements that are inferred but not asserted. We evaluated a set of embedding methods for $\mathcal{EL}^{++}$ ontologies based on high-dimensional ball representation of concept descriptions, incorporating several modifications that aim to make use of the ontology deductive closure. In particular, we designed novel negative losses that account both for the deductive closure and different types of negatives. We demonstrate that our embedding methods improve over the baseline ontology embedding in the task of knowledge base or ontology completion.
Predictive process monitoring is a process mining task aimed at forecasting information about a running process trace, such as the most correct next activity to be executed. In medical domains, predictive process monitoring can provide valuable decision support in atypical and nontrivial situations. Decision support and quality assessment in medicine cannot ignore domain knowledge, in order to be grounded on all the available information (which is not limited to data) and to be really acceptable by end users. In this paper, we propose a predictive process monitoring approach relying on the use of a {\em transformer}, a deep learning architecture based on the attention mechanism. A major contribution of our work lies in the incorporation of ontological domain-specific knowledge, carried out through a graph positional encoding technique. The paper presents and discusses the encouraging experimental result we are collecting in the domain of stroke management.
Recently, ontology embeddings representing entities in a low-dimensional space have been proposed for ontology completion. However, the ontology embeddings for concept subsumption prediction do not address the difficulties of similar and isolated entities and fail to extract the global information of annotation axioms from an ontology. In this paper, we propose a self-matching training method for the two ontology embedding models: Inverted-index Matrix Embedding (InME) and Co-occurrence Matrix Embedding (CoME). The two embeddings capture the global and local information in annotation axioms by means of the occurring locations of each word in a set of axioms and the co-occurrences of words in each axiom. The self-matching training method increases the robustness of the concept subsumption prediction when predicted superclasses are similar to subclasses and are isolated to other entities in an ontology. Our evaluation experiments show that the self-matching training method with InME outperforms the existing ontology embeddings for the GO and FoodOn ontologies and that the method with the concatenation of CoME and OWL2Vec* outperforms them for the HeLiS ontology.
Ontologies contain rich knowledge within domain, which can be divided into two categories, namely extensional knowledge and intensional knowledge. Extensional knowledge provides information about the concrete instances that belong to specific concepts in the ontology, while intensional knowledge details inherent properties, characteristics, and semantic associations among concepts. However, existing ontology embedding approaches fail to take both extensional knowledge and intensional knowledge into fine consideration simultaneously. In this paper, we propose a novel ontology embedding approach named EIKE (Extensional and Intensional Knowledge Embedding) by representing ontologies in two spaces, called extensional space and intensional space. EIKE presents a unified framework for embedding instances, concepts and their relations in an ontology, applying a geometry-based method to model extensional knowledge and a pretrained language model to model intensional knowledge, which can capture both structure information and textual information. Experimental results show that EIKE significantly outperforms state-of-the-art methods in three datasets for both triple classification and link prediction, indicating that EIKE provides a more comprehensive and representative perspective of the domain.
Generating vector representations (embeddings) of OWL ontologies is a growing task due to its applications in predicting missing facts and knowledge-enhanced learning in fields such as bioinformatics. The underlying semantics of OWL ontologies are expressed using Description Logics (DLs). Initial approaches to generate embeddings relied on constructing a graph out of ontologies, neglecting the semantics of the logic therein. Recent semantic-preserving embedding methods often target lightweight DL languages like $\mathcal{EL}^{++}$, ignoring more expressive information in ontologies. Although some approaches aim to embed more descriptive DLs like $\mathcal{ALC}$, those methods require the existence of individuals, while many real-world ontologies are devoid of them. We propose an ontology embedding method for the $\mathcal{ALC}$ DL language that considers the lattice structure of concept descriptions. We use connections between DL and Category Theory to materialize the lattice structure and embed it using an order-preserving embedding method. We show that our method outperforms state-of-the-art methods in several knowledge base completion tasks. Furthermore, we incoporate saturation procedures that increase the information within the constructed lattices. We make our code and data available at \url{https://github.com/bio-ontology-research-group/catE}.
Several approaches have been developed that generate embeddings for Description Logic ontologies and use these embeddings in machine learning. One approach of generating ontologies embeddings is by first embedding the ontologies into a graph structure, i.e., introducing a set of nodes and edges for named entities and logical axioms, and then applying a graph embedding to embed the graph in $\mathbb{R}^n$. Methods that embed ontologies in graphs (graph projections) have different formal properties related to the type of axioms they can utilize, whether the projections are invertible or not, and whether they can be applied to asserted axioms or their deductive closure. We analyze, qualitatively and quantitatively, several graph projection methods that have been used to embed ontologies, and we demonstrate the effect of the properties of graph projections on the performance of predicting axioms from ontology embeddings. We find that there are substantial differences between different projection methods, and both the projection of axioms into nodes and edges as well ontological choices in representing knowledge will impact the success of using ontology embeddings to predict axioms.
OWL ontologies, whose formal semantics are rooted in Description Logic (DL), have been widely used for knowledge representation. Similar to Knowledge Graphs (KGs), ontologies are often incomplete, and maintaining and constructing them has proved challenging. While classical deductive reasoning algorithms use the precise formal semantics of an ontology to predict missing facts, recent years have witnessed growing interest in inductive reasoning techniques that can derive probable facts from an ontology. Similar to KGs, a promising approach is to learn ontology embeddings in a latent vector space, while additionally ensuring they adhere to the semantics of the underlying DL. While a variety of approaches have been proposed, current ontology embedding methods suffer from several shortcomings, especially that they all fail to faithfully model one-to-many, many-to-one, and many-to-many relations and role inclusion axioms. To address this problem and improve ontology completion performance, we propose a novel ontology embedding method named Box$^2$EL for the DL EL++, which represents both concepts and roles as boxes (i.e., axis-aligned hyperrectangles), and models inter-concept relationships using a bumping mechanism. We theoretically prove the soundness of Box$^2$EL and conduct an extensive experimental evaluation, achieving state-of-the-art results across a variety of datasets on the tasks of subsumption prediction, role assertion prediction, and approximating deductive reasoning.
Knowledge Graph (KG) and its variant of ontology have been widely used for knowledge representation, and have shown to be quite effective in augmenting Zero-shot Learning (ZSL). However, existing ZSL methods that utilize KGs all neglect the intrinsic complexity of inter-class relationships represented in KGs. One typical feature is that a class is often related to other classes in different semantic aspects. In this paper, we focus on ontologies for augmenting ZSL, and propose to learn disentangled ontology embeddings guided by ontology properties to capture and utilize more fine-grained class relationships in different aspects. We also contribute a new ZSL framework named DOZSL, which contains two new ZSL solutions based on generative models and graph propagation models, respectively, for effectively utilizing the disentangled ontology embeddings. Extensive evaluations have been conducted on five benchmarks across zero-shot image classification (ZS-IMGC) and zero-shot KG completion (ZS-KGC). DOZSL often achieves better performance than the state-of-the-art, and its components have been verified by ablation studies and case studies. Our codes and datasets are available at https://github.com/zjukg/DOZSL.
Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can advance the parameter scale from million-level to billion-level and achieve remarkable improvement. However, those prevailing approaches rarely consider incorporating knowledge graphs (KGs), which can provide rich structured knowledge facts for better protein representations. We argue that informative biology knowledge in KGs can enhance protein representation with external knowledge. In this work, we propose OntoProtein, the first general framework that makes use of structure in GO (Gene Ontology) into protein pre-training models. We construct a novel large-scale knowledge graph that consists of GO and its related proteins, and gene annotation texts or protein sequences describe all nodes in the graph. We propose novel contrastive learning with knowledge-aware negative sampling to jointly optimize the knowledge graph and protein embedding during pre-training. Experimental results show that OntoProtein can surpass state-of-the-art methods with pre-trained protein language models in TAPE benchmark and yield better performance compared with baselines in protein-protein interaction and protein function prediction. Code and datasets are available in https://github.com/zjunlp/OntoProtein.
Healthcare representation learning on the Electronic Health Records is crucial for downstream medical prediction tasks in health informatics. Many NLP techniques, such as RNN and self-attention, have been adapted to learn medical representations from hierarchical and time-stamped EHRs data, but fail when they lack either general or task-specific data. Hence, some recent works train healthcare representations by incorporating medical ontology, by self-supervised tasks like diagnosis prediction, but (1) the small-scale, monotonous ontology is insufficient for robust learning, and (2) critical contexts or dependencies underlying patient journeys are barely exploited to enhance ontology learning. To address the challenges, we propose a Transformer-based representation learning approach: Mutual Integration of Patient journey and medical Ontology (MIPO), which is a robust end-to-end framework. Specifically, the proposed method focuses on task-specific representation learning by a sequential diagnoses predictive task, which is also beneficial to the ontology-based disease typing task. To integrate information in the patient's visiting records, we further introduce a graph-embedding module, which can mitigate the challenge of data insufficiency in healthcare. In this way, MIPO creates a mutual integration to benefit both healthcare representation learning and medical ontology embedding. Such an effective integration is guaranteed by joint training over fused embeddings of the two modules, targeting both task-specific prediction and ontology-based disease typing tasks simultaneously. Extensive experiments conducted on two real-world benchmark datasets have shown MIPO consistently achieves better performance than state-of-the-art methods no matter whether the training data is sufficient or not. Also, MIPO derives more interpretable diagnose embedding results compared to its counterparts.
Event Detection (ED) aims to identify event trigger words from a given text and classify it into an event type. Most of current methods to ED rely heavily on training instances, and almost ignore the correlation of event types. Hence, they tend to suffer from data scarcity and fail to handle new unseen event types. To address these problems, we formulate ED as a process of event ontology population: linking event instances to pre-defined event types in event ontology, and propose a novel ED framework entitled OntoED with ontology embedding. We enrich event ontology with linkages among event types, and further induce more event-event correlations. Based on the event ontology, OntoED can leverage and propagate correlation knowledge, particularly from data-rich to data-poor event types. Furthermore, OntoED can be applied to new unseen event types, by establishing linkages to existing ones. Experiments indicate that OntoED is more predominant and robust than previous approaches to ED, especially in data-scarce scenarios.
Semantic embedding of knowledge graphs has been widely studied and used for prediction and statistical analysis tasks across various domains such as Natural Language Processing and the Semantic Web. However, less attention has been paid to developing robust methods for embedding OWL (Web Ontology Language) ontologies which can express a much wider range of semantics than knowledge graphs and have been widely adopted in domains such as bioinformatics. In this paper, we propose a random walk and word embedding based ontology embedding method named OWL2Vec*, which encodes the semantics of an OWL ontology by taking into account its graph structure, lexical information and logical constructors. Our empirical evaluation with three real world datasets suggests that OWL2Vec* benefits from these three different aspects of an ontology in class membership prediction and class subsumption prediction tasks. Furthermore, OWL2Vec* often significantly outperforms the state-of-the-art methods in our experiments.
Zero-shot learning (ZSL) is a popular research problem that aims at predicting for those classes that have never appeared in the training stage by utilizing the inter-class relationship with some side information. In this study, we propose to model the compositional and expressive semantics of class labels by an OWL (Web Ontology Language) ontology, and further develop a new ZSL framework with ontology embedding. The effectiveness has been verified by some primary experiments on animal image classification and visual question answering.
Recent years have witnessed the successful application of low-dimensional vector space representations of knowledge graphs to predict missing facts or find erroneous ones. However, it is not yet well-understood to what extent ontological knowledge, e.g. given as a set of (existential) rules, can be embedded in a principled way. To address this shortcoming, in this paper we introduce a general framework based on a view of relations as regions, which allows us to study the compatibility between ontological knowledge and different types of vector space embeddings. Our technical contribution is two-fold. First, we show that some of the most popular existing embedding methods are not capable of modelling even very simple types of rules, which in particular also means that they are not able to learn the type of dependencies captured by such rules. Second, we study a model in which relations are modelled as convex regions. We show particular that ontologies which are expressed using so-called quasi-chained existential rules can be exactly represented using convex regions, such that any set of facts which is induced using that vector space embedding is logically consistent and deductively closed with respect to the input ontology.