Knowledge Graph Completion (KGC) attempts to predict missing facts in a Knowledge Graph (KG). Recently, there's been an increased focus on designing KGC methods that can excel in the {\it inductive setting}, where a portion or all of the entities and relations seen in inference are unobserved during training. Numerous benchmark datasets have been proposed for inductive KGC, all of which are subsets of existing KGs used for transductive KGC. However, we find that the current procedure for constructing inductive KGC datasets inadvertently creates a shortcut that can be exploited even while disregarding the relational information. Specifically, we observe that the Personalized PageRank (PPR) score can achieve strong or near SOTA performance on most inductive datasets. In this paper, we study the root cause of this problem. Using these insights, we propose an alternative strategy for constructing inductive KGC datasets that helps mitigate the PPR shortcut. We then benchmark multiple popular methods using the newly constructed datasets and analyze their performance. The new benchmark datasets help promote a better understanding of the capabilities and challenges of inductive KGC by removing any shortcuts that obfuscate performance.

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.

Machine learning, deep learning, and NLP methods on knowledge graphs are present in different fields and have important roles in various domains from self-driving cars to friend recommendations on social media platforms. However, to apply these methods to knowledge graphs, the data usually needs to be in an acceptable size and format. In fact, knowledge graphs normally have high dimensions and therefore we need to transform them to a low-dimensional vector space. An embedding is a low-dimensional space into which you can translate high dimensional vectors in a way that intrinsic features of the input data are preserved. In this review, we first explain knowledge graphs and their embedding and then review some of the random walk-based embedding methods that have been developed recently.

Multi-hop reasoning (MHR) is a process in artificial intelligence and natural language processing where a system needs to make multiple inferential steps to arrive at a conclusion or answer. In the context of knowledge graphs or databases, it involves traversing multiple linked entities and relationships to understand complex queries or perform tasks requiring a deeper understanding. Multi-hop reasoning is a critical function in various applications, including question answering, knowledge base completion, and link prediction. It has garnered significant interest in artificial intelligence, machine learning, and graph analytics. This paper focuses on optimizing MHR for time efficiency on large-scale graphs, diverging from the traditional emphasis on accuracy which is an orthogonal goal. We introduce a novel parallel algorithm that harnesses domain-specific learned embeddings to efficiently identify the top K paths between vertices in a knowledge graph to find the best answers to a three-hop query. Our contributions are: (1) We present a new parallel algorithm to enhance MHR performance, scalability and efficiency. (2) We demonstrate the algorithm's superior performance on leading-edge Intel and AMD architectures through empirical results. We showcase the algorithm's practicality through a case study on identifying academic affiliations of potential Turing Award laureates in Deep Learning, highlighting its capability to handle intricate entity relationships. This demonstrates the potential of our approach to enabling high-performance MHR, useful to navigate the growing complexity of modern knowledge graphs.

Multi-hop logical reasoning on knowledge graphs is a pivotal task in natural language processing, with numerous approaches aiming to answer First-Order Logic (FOL) queries. Recent geometry (e.g., box, cone) and probability (e.g., beta distribution)-based methodologies have effectively addressed complex FOL queries. However, a common challenge across these methods lies in determining accurate geometric bounds or probability parameters for these queries. The challenge arises because existing methods rely on linear sequential operations within their computation graphs, overlooking the logical structure of the query and the relation-induced information that can be gleaned from the relations of the query, which we call the context of the query. To address the problem, we propose a model-agnostic methodology that enhances the effectiveness of existing multi-hop logical reasoning approaches by fully integrating the context of the FOL query graph. Our approach distinctively discerns (1) the structural context inherent to the query structure and (2) the relation-induced context unique to each node in the query graph as delineated in the corresponding knowledge graph. This dual-context paradigm helps nodes within a query graph attain refined internal representations throughout the multi-hop reasoning steps. Through experiments on two datasets, our method consistently enhances the three multi-hop reasoning foundation models, achieving performance improvements of up to 19.5%. Our code is available at https://github.com/kjh9503/caqr.

Even for a conservative estimate, 80% of enterprise data reside in unstructured files, stored in data lakes that accommodate heterogeneous formats. Classical search engines can no longer meet information seeking needs, especially when the task is to browse and explore for insight formulation. In other words, there are no obvious search keywords to use. Knowledge graphs, due to their natural visual appeals that reduce the human cognitive load, become the winning candidate for heterogeneous data integration and knowledge representation. In this paper, we introduce Docs2KG, a novel framework designed to extract multimodal information from diverse and heterogeneous unstructured documents, including emails, web pages, PDF files, and Excel files. Dynamically generates a unified knowledge graph that represents the extracted key information, Docs2KG enables efficient querying and exploration of document data lakes. Unlike existing approaches that focus on domain-specific data sources or pre-designed schemas, Docs2KG offers a flexible and extensible solution that can adapt to various document structures and content types. The proposed framework unifies data processing supporting a multitude of downstream tasks with improved domain interpretability. Docs2KG is publicly accessible at https://docs2kg.ai4wa.com, and a demonstration video is available at https://docs2kg.ai4wa.com/Video.

Conventional Knowledge graph completion (KGC) methods aim to infer missing information in incomplete Knowledge Graphs (KGs) by leveraging existing information, which struggle to perform effectively in scenarios involving emerging entities. Inductive KGC methods can handle the emerging entities and relations in KGs, offering greater dynamic adaptability. While existing inductive KGC methods have achieved some success, they also face challenges, such as susceptibility to noisy structural information during reasoning and difficulty in capturing long-range dependencies in reasoning paths. To address these challenges, this paper proposes the Query-Enhanced Adaptive Semantic Path Reasoning (QASPR) framework, which simultaneously captures both the structural and semantic information of KGs to enhance the inductive KGC task. Specifically, the proposed QASPR employs a query-dependent masking module to adaptively mask noisy structural information while retaining important information closely related to the targets. Additionally, QASPR introduces a global semantic scoring module that evaluates both the individual contributions and the collective impact of nodes along the reasoning path within KGs. The experimental results demonstrate that QASPR achieves state-of-the-art performance.

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges for efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovation. Addressing these challenges, the integration of artificial intelligence with materials science has opened avenues for accelerating the discovery process, though it also demands precise annotation, data extraction, and traceability of information. To tackle these issues, this article introduces the Materials Knowledge Graph (MKG), which utilizes advanced natural language processing techniques, integrated with large language models to extract and systematically organize a decade's worth of high-quality research into structured triples, contains 162,605 nodes and 731,772 edges. MKG categorizes information into comprehensive labels such as Name, Formula, and Application, structured around a meticulously designed ontology, thus enhancing data usability and integration. By implementing network-based algorithms, MKG not only facilitates efficient link prediction but also significantly reduces reliance on traditional experimental methods. This structured approach not only streamlines materials research but also lays the groundwork for more sophisticated science knowledge graphs.

This paper introduces a post-hoc explainable AI method tailored for Knowledge Graph Embedding models. These models are essential to Knowledge Graph Completion yet criticized for their opaque, black-box nature. Despite their significant success in capturing the semantics of knowledge graphs through high-dimensional latent representations, their inherent complexity poses substantial challenges to explainability. Unlike existing methods, our approach directly decodes the latent representations encoded by Knowledge Graph Embedding models, leveraging the principle that similar embeddings reflect similar behaviors within the Knowledge Graph. By identifying distinct structures within the subgraph neighborhoods of similarly embedded entities, our method identifies the statistical regularities on which the models rely and translates these insights into human-understandable symbolic rules and facts. This bridges the gap between the abstract representations of Knowledge Graph Embedding models and their predictive outputs, offering clear, interpretable insights. Key contributions include a novel post-hoc explainable AI method for Knowledge Graph Embedding models that provides immediate, faithful explanations without retraining, facilitating real-time application even on large-scale knowledge graphs. The method's flexibility enables the generation of rule-based, instance-based, and analogy-based explanations, meeting diverse user needs. Extensive evaluations show our approach's effectiveness in delivering faithful and well-localized explanations, enhancing the transparency and trustworthiness of Knowledge Graph Embedding models.

Inductive knowledge graph completion (KGC) aims to infer the missing relation for a set of newly-coming entities that never appeared in the training set. Such a setting is more in line with reality, as real-world KGs are constantly evolving and introducing new knowledge. Recent studies have shown promising results using message passing over subgraphs to embed newly-coming entities for inductive KGC. However, the inductive capability of these methods is usually limited by two key issues. (i) KGC always suffers from data sparsity, and the situation is even exacerbated in inductive KGC where new entities often have few or no connections to the original KG. (ii) Cold-start problem. It is over coarse-grained for accurate KG reasoning to generate representations for new entities by gathering the local information from few neighbors. To this end, we propose a novel iNfOmax RelAtion Network, namely NORAN, for inductive KG completion. It aims to mine latent relation patterns for inductive KG completion. Specifically, by centering on relations, NORAN provides a hyper view towards KG modeling, where the correlations between relations can be naturally captured as entity-independent logical evidence to conduct inductive KGC. Extensive experiment results on five benchmarks show that our framework substantially outperforms the state-of-the-art KGC methods.