PharmKG: a dedicated knowledge graph benchmark for bomedical data mining.

Knowledge Graph (KG) embedding approaches have been proved effective to infer new facts for a KG based on the existing ones–a problem known as KG completion. However, most of them have focused on static KGs, in fact, relational facts in KGs often show temporal dynamics, e.g., the fact (US, has president, Barack Obama, [2009–2017]) is only valid from 2009 to 2017. Therefore, utilizing available time information to develop temporal KG embedding models is an increasingly important problem. In this paper, we propose a new hyperplane-based time-aware KG embedding model for temporal KG completion. By employing the method of time-specific hyperplanes, our model could explicitly incorporate time information in the entity-relation space to predict missing elements in the KG more effectively, especially temporal scopes for facts with missing time information. Moreover, in order to model and infer four important relation patterns including symmetry, antisymmetry, inversion and composition, we map facts happened at the same time into a polar coordinate system. During training procedure, a time-enhanced negative sampling strategy is proposed to get more effective negative samples. Experimental results on datasets extracted from real-world temporal KGs show that our model significantly outperforms existing state-of-the-art approaches for the KG completion task.

Knowledge graph (KG) embedding aims to encode entities and relations into low-dimensional vector spaces, in turn, can support various machine learning models on KG related tasks with good performance. However, existing methods for knowledge graph embedding fail to consider the influence of the embedding space, which makes them still unsatisfactory in practical applications. In this study, we try to improve the expressiveness of the embedding space from the perspective of the metric. Specifically, we first point out the implications of Minkowski metric used in KG embedding and then make a quantitative analysis. To solve the limitations, we introduce a new metric, named Cycle metric, based on the oscillation property of the periodic function. Furthermore, we find that the function period has a significant influence on the expressiveness of the embedding space. Given a fully trained model, the smaller the period, the better the expressive ability. Finally, to validate the findings, we propose a new model, named CyclE by combining Cycle Metric and the popular KG embeddings models. Comprehensive experimental results show that Cycle is more appropriate than Minkowski for KG embedding.

Knowledge Graph (KG) embedding has attracted more attention in recent years. Most KG embedding models learn from time-unaware triples. However, the inclusion of temporal information besides triples would further improve the performance of a KGE model. In this regard, we propose ATiSE, a temporal KG embedding model which incorporates time information into entity/relation representations by using Additive Time Series decomposition. Moreover, considering the temporal uncertainty during the evolution of entity/relation representations over time, we map the representations of temporal KGs into the space of multi-dimensional Gaussian distributions. The mean of each entity/relation embedding at a time step shows the current expected position, whereas its covariance (which is temporally stationary) represents its temporal uncertainty. Experimental results show that ATiSE significantly outperforms the state-of-the-art KGE models and the existing temporal KGE models on link prediction over four temporal KGs.

Knowledge graph (KG) embedding is to embed the entities and relations of a KG into a low-dimensional continuous vector space while preserving the intrinsic semantic associations between entities and relations. One of the most important applications of knowledge graph embedding (KGE) is link prediction (LP), which aims to predict the missing fact triples in the KG. A promising approach to improving the performance of KGE for the task of LP is to increase the feature interactions between entities and relations so as to express richer semantics between them. Convolutional neural networks (CNNs) have thus become one of the most popular KGE models due to their strong expression and generalization abilities. To further enhance favorable features from increased feature interactions, we propose a lightweight CNN-based KGE model called IntSE in this paper. Specifically, IntSE not only increases the feature interactions between the components of entity and relationship embeddings with more efficient CNN components but also incorporates the channel attention mechanism that can adaptively recalibrate channel-wise feature responses by modeling the interdependencies between channels to enhance the useful features while suppressing the useless ones for improving its performance for LP. The experimental results on public datasets confirm that IntSE is superior to state-of-the-art CNN-based KGE models for link prediction in KGs.

Unveiling the power of knowledge graph embedding in knowledge aware deep recommender systems for e-commerce: A comparative study

Recently, large-scale knowledge graphs (KGs) have become a key asset for search, analytics, recommendations and data integration. Large-scale KGs provide millions of facts about the real world. Each fact is composed as (subject, relation, object), e.g., the triplet (“Cristiano Ronaldo”, playFor, “Real Madrid”). However, these facts are blind to the temporal dimension. Actually, knowledge in practice is time-variant and many relations are only valid for a certain period of time. This phenomenon highlights the importance of building temporal knowledge graphs. In particular, knowledge in temporal KG is represented as (subject, relation, object, valid time), e.g., (“Cristiano Ronaldo”, playFor, “Real Madrid”, “[2009, 2018]”. However, research on temporal KG is very current and there are still many problems needed to be addressed. One obvious problem is that the size of temporal KG is still very small. For example, only 6.6% of the facts are time-aware in one of the largest knowledge graphs, YAGO3. In addition, 71% of people have no known place of birth, and 75% have no known nationality in Freebase. Furthermore, over 87.7% of the facts are uncovered in Japanese DBpedia compared with English DBpedia. Therefore, in this thesis, we study how to enlarge and enrich temporal knowledge graphs from three aspects, namely, temporal KG enrichment. In particular, we study the enrichment problem from the following aspects: (1) volume, (2) completeness, and (3) coverage.Our first solution is temporal knowledge harvesting which extracts temporal knowledge from free text directly. However, text corpus is noisy, and extracting structured temporal facts with high accuracy and coverage is very challenging. Inspired by pattern-based systems, we propose a temporal knowledge harvesting framework. In particular, we propose various techniques to extract temporal patterns, including corpus annotation, pattern generation, scoring and clustering. These techniques can reduce ambiguity in the text corpus and can improve both the accuracy and coverage of the extracted patterns. Second, we leverage the extracted patterns to harvest temporal knowledge. To improve the accuracy, we propose a parse-tree-based method. And to increase the coverage, we consider the relationships between tree components, including part of speech (POS), clause types, constituency and dependency. Experiments on real-world datasets verify the effectiveness of our proposed framework.Our second solution is temporal knowledge graph completion. Temporal KG completion is the task of inferring unobserved edges between entity pairs. Generally, temporal KG completion relies on the temporal KG embeddings technique, which learns the low-dimensional representations of all KG components. As research on temporal KG embedding is very current, we study both the embedding and the completion problems. In particular, we observe that contexts are extremely useful for learning the representations of entities and for inferring the unknown time intervals. As a result, we propose a context-aware embedding model for KG embeddings and a context-based temporal inference model for KG completion. In our embedding model, we not only capture factual plausibility as traditional methods did, but also propose a new measure on contexts, named temporal consistency. It measures how well the target entity interacts with its surrounding contexts on the temporal dimension. Our completion model is based on the embedding model, and further captures the interactions on the entity dimension. Extensive experiments verify the effectiveness of our models.Our third solution is temporal knowledge graph alignment which aims to discover the SameAs edges across two temporal KGs. Not like previous attribute-based alignment models, we further divide attribute facts into character facts, digit facts and time facts. In particular, we observe that the context information is extremely useful for the identification of the same entities. Therefore, we propose an alignment model on leveraging temporal contexts to represent entities. However, contexts of the same object can be very different. For example, the value of career predicate changed from “football player” to “coach” for the football player “Zidane”. This is because entities are evolving over time and thus the predicate values can be different. In our framework, we propose an alignment module that simulates the entity evolving process. Specifically, this module captures the interactions between contexts and aggregates context information to represent the entity. Lastly, we found that not all contexts are relevant, e.g., height v.s. career. Actually, only the relevant contexts are useful for capturing the evolving. Therefore, we propose a clustering approach for grouping relevant contexts together. Our experimental results validate the superiority of our proposed alignment model.

A framework for differentially-private knowledge graph embeddings

Knowledge graphs exhibit a typical hierarchical structure and find extensive applications in various artificial intelligence domains. However, large-scale knowledge graphs need to be completed, which limits the performance of knowledge graphs in downstream tasks. Knowledge graph embedding methods have emerged as a primary solution to enhance knowledge graph completeness. These methods aim to represent entities and relations as low-dimensional vectors, focusing on handling relation patterns and multi-relation types. Researchers need to pay more attention to the crucial feature of hierarchical relationships in real-world knowledge graphs. We propose a novel knowledge graph embedding model called Hierarchy-Aware Paired Relation Vectors Knowledge Graph Embedding (HPRE) to bridge this gap. By leveraging the power of 2D coordinates, HPRE adeptly model relation patterns, multi-relation types, and hierarchical features in the knowledge graph. Specifically, HPRE employs paired relation vectors to capture the distinct characteristics of head and tail entities, facilitating a better fit for relational patterns and multi-relation scenarios. Additionally, HPRE employs angular coordinates to differentiate entities at various levels of the hierarchy, effectively representing the hierarchical nature of the knowledge graph. The experimental results show that the HPRE model can effectively learn the hierarchical features of the knowledge graph and achieve state-of-the-art experimental results on multiple real-world datasets for the link prediction task.

Library migration, which replaces the current library with a different one to retain the same software behavior, is common in software evolution. An essential part of this is finding an analogous API for the desired functionality. However, due to the multitude of libraries/APIs, manually finding such an API is time-consuming and error-prone. Researchers created automated analogical API recommendation techniques, notably documentation-based methods. Despite potential, these methods have limitations, e.g., incomplete semantic understanding in documentation and scalability issues. In this study, we present KGE4AR, a novel documentation-based approach using knowledge graph (KG) embedding for recommending analogical APIs during library migration. KGE4AR introduces a unified API KG to comprehensively represent documentation knowledge, capturing high-level semantics. It further embeds this unified API KG into vectors for efficient, scalable similarity calculation. We assess KGE4AR with 35,773 Java libraries in two scenarios, with and without target libraries. KGE4AR notably outperforms state-of-the-art techniques (e.g., 47.1%-143.0% and 11.7%-80.6% MRR improvements), showcasing scalability with growing library counts.

Knowledge graph embedding (KGE) models represent each entity and relation of a knowledge graph (KG) with low-dimensional embedding vectors. These methods have recently been applied to KG link prediction and question answering over incomplete KGs (KGQA). KGEs typically create an embedding for each entity in the graph, which results in large model sizes on real-world graphs with millions of entities. For downstream tasks these atomic entity representations often need to be integrated into a multi stage pipeline, limiting their utility. We show that an off-the-shelf encoder-decoder Transformer model can serve as a scalable and versatile KGE model obtaining state-of-the-art results for KG link prediction and incomplete KG question answering. We achieve this by posing KG link prediction as a sequence-to-sequence task and exchange the triple scoring approach taken by prior KGE methods with autoregressive decoding. Such a simple but powerful method reduces the model size up to 98% compared to conventional KGE models while keeping inference time tractable. After finetuning this model on the task of KGQA over incomplete KGs, our approach outperforms baselines on multiple large-scale datasets without extensive hyperparameter tuning.

A number of knowledge graph (KG)-based recommendation algorithms have been introduced; KGs enable users and items and their attributes to be treated in an integrated way and structural information to be captured through graphs. There are many variations of the KG based recommendation algorithms. Among them, KG embedding is often used, but doing this does not take advantage of the meta-path-level proximity between users and items. This paper presents a flexible framework combining random walk and KG embedding methods. The random walk model is formulated on the basis of the similarity between nodes revealed by the KG embedding. This enables the metapath level proximity of users and items to be efficiently utilized. Comparison testing demonstrated that the proposed framework performs better than random- walk-only methods and KG-embedding-only methods, and slightly better than the existing method we have extended.

Multi-hop reasoning provides a means for inferring indirect relationships and missing information from knowledge graphs (KGs). Reinforcement learning (RL) was recently employed for multi-hop reasoning. Although RL-based methods provide explainability, they face challenges such as sparse rewards, spurious paths, large action spaces, and long training and running times. In this study, we present a novel approach that combines KG embeddings and RL strategies for multi-hop reasoning called path-based multi-hop reasoning (PMHR). We address the issues of sparse rewards and spurious paths by incorporating a well-designed reward function that combines soft rewards with rule-based rewards. The rewards are adjusted based on the target entity and the path to it. Furthermore, we perform action filtering and utilize the vectors of entities and relations acquired through KG embeddings to initialize the environment, thereby significantly reducing the runtime. Experiments involving a comprehensive performance evaluation, efficiency analysis, ablation studies, and a case study were performed. The experimental results on benchmark datasets demonstrate the effectiveness of PMHR in improving KG reasoning accuracy while preserving interpretability. Compared to existing state-of-the-art models, PMHR achieved Hit@1 improvements of 0.63%, 2.02%, and 3.17% on the UMLS, Kinship, and NELL-995 datasets, respectively. PMHR provides not only improved reasoning accuracy and explainability but also optimized computational efficiency, thereby offering a robust solution for multi-hop reasoning.

BackgroundIntensive Care Unit (ICU) readmissions represent both a health risk for patients,with increased mortality rates and overall health deterioration, and a financial burden for healthcare facilities. As healthcare became more data-driven with the introduction of Electronic Health Records (EHR), machine learning methods have been applied to predict ICU readmission risk. However, these methods disregard the meaning and relationships of data objects and work blindly over clinical data without taking into account scientific knowledge and context. Ontologies and Knowledge Graphs can help bridge this gap between data and scientific context, as they are computational artefacts that represent the entities of a domain and their relationships to each other in a formalized way.Methods and resultsWe have developed an approach that enriches EHR data with semantic annotations to ontologies to build a Knowledge Graph. A patient’s ICU stay is represented by Knowledge Graph embeddings in a contextualized manner, which are used by machine learning models to predict 30-days ICU readmissions. This approach is based on several contributions: (1) an enrichment of the MIMIC-III dataset with patient-oriented annotations to various biomedical ontologies; (2) a Knowledge Graph that defines patient data with biomedical ontologies; (3) a predictive model of ICU readmission risk that uses Knowledge Graph embeddings; (4) a variant of the predictive model that targets different time points during an ICU stay. Our predictive approaches outperformed both a baseline and state-of-the-art works achieving a mean Area Under the Receiver Operating Characteristic Curve of 0.827 and an Area Under the Precision-Recall Curve of 0.691. The application of this novel approach to help clinicians decide whether a patient can be discharged has the potential to prevent the readmission of 40% of Intensive Care Unit patients, without unnecessarily prolonging the stay of those who would not require it.ConclusionThe coupling of semantic annotation and Knowledge Graph embeddings affords two clear advantages: they consider scientific context and they are able to build representations of EHR information of different types in a common format. This work demonstrates the potential for impact that integrating ontologies and Knowledge Graphs into clinical machine learning applications can have.

Rule-enhanced iterative complementation for knowledge graph reasoning

Computing knowledge graph (KG) embeddings is a technique to learn distributional representations for components of a knowledge graph while preserving structural information. The learned embeddings can be used in multiple downstream tasks such as question answering, information extraction, query expansion, semantic similarity, and information retrieval. Over the past years, multiple embedding techniques have been proposed based on different underlying assumptions. The most actively researched models are translation-based which treat relations as translation operations in a shared (or relation-specific) space. Interestingly, almost all KG embedding models treat each triple equally, regardless of the fact that the contribution of each triple to the global information content differs substantially. Many triples can be inferred from others, while some triples are the foundational (basis) statements that constitute a knowledge graph, thereby supporting other triples. Hence, in order to learn a suitable embedding model, each triple should be treated differently with respect to its information content. Here, we propose a data-driven approach to measure the information content of each triple with respect to the whole knowledge graph by using rule mining and PageRank. We show how to compute triple-specific weights to improve the performance of three KG embedding models (TransE, TransR and HolE). Link prediction tasks on two standard datasets, FB15K and WN18, show the effectiveness of our weighted KG embedding model over other more complex models. In fact, for FB15K our TransE-RW embeddings model outperforms models such as TransE, TransM, TransH, and TransR by at least 12.98% for measuring the Mean Rank and at least 1.45% for HIT@10. Our HolE-RW model also outperforms HolE and ComplEx by at least 14.3% for MRR and about 30.4% for HIT@1 on FB15K. Finally, TransR-RW show an improvement over TransR by 3.90% for Mean Rank and 0.87% for HIT@10.