Irregular data in real-world are usually organized as heterogeneous graphs (HGs) consisting of multiple types of nodes and edges. To explore useful knowledge from real-world data, both the large-scale encyclopedic HG datasets and corresponding effective learning methods are crucial, but haven't been well investigated. In this paper, we construct a large-scale HG benchmark dataset named UniKG from Wikidata to facilitate knowledge mining and heterogeneous graph representation learning. Overall, UniKG contains more than 77 million multi-attribute entities and 2000 diverse association types, which significantly surpasses the scale of existing HG datasets. To perform effective learning on the large-scale UniKG, two key measures are taken, including (i) the semantic alignment strategy for multi-attribute entities, which projects the feature description of multi-attribute nodes into a common embedding space to facilitate node aggregation in a large receptive field; (ii) proposing a novel plug-and-play anisotropy propagation module (APM) to learn effective multi-hop anisotropy propagation kernels, which extends methods of large-scale homogeneous graphs to heterogeneous graphs. These two strategies enable efficient information propagation among a tremendous number of multi-attribute entities and meantimes adaptively mine multi-attribute association through the multi-hop aggregation in large-scale HGs. We set up a node classification task on our UniKG dataset, and evaluate multiple baseline methods which are constructed by embedding our APM into large-scale homogenous graph learning methods. Our UniKG dataset and the baseline codes have been released at https://github.com/Yide-Qiu/UniKG.

Knowledge graphs play a vital role in numerous artificial intelligence tasks, yet they frequently face the issue of incompleteness. In this study, we explore utilizing Large Language Models (LLM) for knowledge graph completion. We consider triples in knowledge graphs as text sequences and introduce an innovative framework called Knowledge Graph LLM (KG-LLM) to model these triples. Our technique employs entity and relation descriptions of a triple as prompts and utilizes the response for predictions. Experiments on various benchmark knowledge graphs demonstrate that our method attains state-of-the-art performance in tasks such as triple classification and relation prediction. We also find that fine-tuning relatively smaller models (e.g., LLaMA-7B, ChatGLM-6B) outperforms recent ChatGPT and GPT-4.

We consider the problem of identifying authorship by posing it as a knowledge graph construction and refinement. To this effect, we model this problem as learning a probabilistic logic model in the presence of human guidance (knowledge-based learning). Specifically, we learn relational regression trees using functional gradient boosting that outputs explainable rules. To incorporate human knowledge, advice in the form of first-order clauses is injected to refine the trees. We demonstrate the usefulness of human knowledge both quantitatively and qualitatively in seven authorship domains.

Many downstream inference tasks for knowledge graphs, such as relation prediction, have been handled successfully by knowledge graph embedding techniques in the transductive setting. To address the inductive setting wherein new entities are introduced into the knowledge graph at inference time, more recent work opts for models which learn implicit representations of the knowledge graph through a complex function of a network's subgraph structure, often parametrized by graph neural network architectures. These come at the cost of increased parametrization, reduced interpretability and limited generalization to other downstream inference tasks. In this work, we bridge the gap between traditional transductive knowledge graph embedding approaches and more recent inductive relation prediction models by introducing a generalized form of harmonic extension which leverages representations learned through transductive embedding methods to infer representations of new entities introduced at inference time as in the inductive setting. This harmonic extension technique provides the best such approximation, can be implemented via an efficient iterative scheme, and can be employed to answer a family of conjunctive logical queries over the knowledge graph, further expanding the capabilities of transductive embedding methods. In experiments on a number of large-scale knowledge graph embedding benchmarks, we find that this approach for extending the functionality of transductive knowledge graph embedding models to perform knowledge graph completion and answer logical queries in the inductive setting is competitive with--and in some scenarios outperforms--several state-of-the-art models derived explicitly for such inductive tasks.

Knowledge graphs (KGs) have emerged as a prominent data representation and management paradigm. Being usually underpinned by a schema (e.g. an ontology), KGs capture not only factual information but also contextual knowledge. In some tasks, a few KGs established themselves as standard benchmarks. However, recent works outline that relying on a limited collection of datasets is not sufficient to assess the generalization capability of an approach. In some data-sensitive fields such as education or medicine, access to public datasets is even more limited. To remedy the aforementioned issues, we release PyGraft, a Python-based tool that generates highly customized, domain-agnostic schemas and knowledge graphs. The synthesized schemas encompass various RDFS and OWL constructs, while the synthesized KGs emulate the characteristics and scale of real-world KGs. Logical consistency of the generated resources is ultimately ensured by running a description logic (DL) reasoner. By providing a way of generating both a schema and KG in a single pipeline, PyGraft's aim is to empower the generation of a more diverse array of KGs for benchmarking novel approaches in areas such as graph-based machine learning (ML), or more generally KG processing. In graph-based ML in particular, this should foster a more holistic evaluation of model performance and generalization capability, thereby going beyond the limited collection of available benchmarks. PyGraft is available at: https://github.com/nicolas-hbt/pygraft.

Knowledge graph embeddings are dense numerical representations of entities in a knowledge graph (KG). While the majority of approaches concentrate only on relational information, i.e., relations between entities, fewer approaches exist which also take information about literal values (e.g., textual descriptions or numerical information) into account. Those which exist are typically tailored towards a particular modality of literal and a particular embedding method. In this paper, we propose a set of universal preprocessing operators which can be used to transform KGs with literals for numerical, temporal, textual, and image information, so that the transformed KGs can be embedded with any method. The results on the kgbench dataset with three different embedding methods show promising results.

This study presents insights from interviews with nineteen Knowledge Graph (KG) practitioners who work in both enterprise and academic settings on a wide variety of use cases. Through this study, we identify critical challenges experienced by KG practitioners when creating, exploring, and analyzing KGs that could be alleviated through visualization design. Our findings reveal three major personas among KG practitioners - KG Builders, Analysts, and Consumers - each of whom have their own distinct expertise and needs. We discover that KG Builders would benefit from schema enforcers, while KG Analysts need customizable query builders that provide interim query results. For KG Consumers, we identify a lack of efficacy for node-link diagrams, and the need for tailored domain-specific visualizations to promote KG adoption and comprehension. Lastly, we find that implementing KGs effectively in practice requires both technical and social solutions that are not addressed with current tools, technologies, and collaborative workflows. From the analysis of our interviews, we distill several visualization research directions to improve KG usability, including knowledge cards that balance digestibility and discoverability, timeline views to track temporal changes, interfaces that support organic discovery, and semantic explanations for AI and machine learning predictions.

Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug repositioning candidates has often been overlooked. This study presents a novel protocol to comprehensively analyse various sources such as pharmaceutical patents and biomedical databases, and identify drug repositioning candidates with both technological potential and scientific evidence. To this end, first, we constructed a scientific biomedical knowledge graph (s-BKG) comprising relationships between drugs, diseases, and genes derived from biomedical databases. Our protocol involves identifying drugs that exhibit limited association with the target disease but are closely located in the s-BKG, as potential drug candidates. We constructed a patent-informed biomedical knowledge graph (p-BKG) by adding pharmaceutical patent information. Finally, we developed a graph embedding protocol to ascertain the structure of the p-BKG, thereby calculating the relevance scores of those candidates with target disease-related patents to evaluate their technological potential. Our case study on Alzheimer's disease demonstrates its efficacy and feasibility, while the quantitative outcomes and systematic methods are expected to bridge the gap between computational discoveries and successful market applications in drug repositioning research.

Knowledge graphs enable data scientists to learn end-to-end on heterogeneous knowledge. However, most end-to-end models solely learn from the relational information encoded in graphs' structure: raw values, encoded as literal nodes, are either omitted completely or treated as regular nodes without consideration for their values. In either case we lose potentially relevant information which could have otherwise been exploited by our learning methods. We propose a multimodal message passing network which not only learns end-to-end from the structure of graphs, but also from their possibly divers set of multimodal node features. Our model uses dedicated (neural) encoders to naturally learn embeddings for node features belonging to five different types of modalities, including numbers, texts, dates, images and geometries, which are projected into a joint representation space together with their relational information. We implement and demonstrate our model on node classification and link prediction for artificial and real-worlds datasets, and evaluate the effect that each modality has on the overall performance in an inverse ablation study. Our results indicate that end-to-end multimodal learning from any arbitrary knowledge graph is indeed possible, and that including multimodal information can significantly affect performance, but that much depends on the characteristics of the data.

Rule learning approaches for knowledge graph completion are efficient, interpretable and competitive to purely neural models. The rule aggregation problem is concerned with finding one plausibility score for a candidate fact which was simultaneously predicted by multiple rules. Although the problem is ubiquitous, as data-driven rule learning can result in noisy and large rulesets, it is underrepresented in the literature and its theoretical foundations have not been studied before in this context. In this work, we demonstrate that existing aggregation approaches can be expressed as marginal inference operations over the predicting rules. In particular, we show that the common Max-aggregation strategy, which scores candidates based on the rule with the highest confidence, has a probabilistic interpretation. Finally, we propose an efficient and overlooked baseline which combines the previous strategies and is competitive to computationally more expensive approaches.