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.

While a number of knowledge graph representation learning (KGRL) methods have been proposed over the past decade, very few theoretical analyses have been conducted on them. In this paper, we present the first PAC-Bayesian generalization bounds for KGRL methods. To analyze a broad class of KGRL models, we propose a generic framework named ReED (Relation-aware Encoder-Decoder), which consists of a relation-aware message passing encoder and a triplet classification decoder. Our ReED framework can express at least 15 different existing KGRL models, including not only graph neural network-based models such as R-GCN and CompGCN but also shallow-architecture models such as RotatE and ANALOGY. Our generalization bounds for the ReED framework provide theoretical grounds for the commonly used tricks in KGRL, e.g., parameter-sharing and weight normalization schemes, and guide desirable design choices for practical KGRL methods. We empirically show that the critical factors in our generalization bounds can explain actual generalization errors on three real-world knowledge graphs.

While there are a plethora of methods for link prediction in knowledge graphs, state-of-the-art approaches are often black box, obfuscating model reasoning and thereby limiting the ability of users to make informed decisions about model predictions. Recently, methods have emerged to generate prediction explanations for Knowledge Graph Embedding models, a widely-used class of methods for link prediction. The question then becomes, how well do these explanation systems work? To date this has generally been addressed anecdotally, or through time-consuming user research. In this work, we present an in-depth exploration of a simple link prediction explanation method we call LinkLogic, that surfaces and ranks explanatory information used for the prediction. Importantly, we construct the first-ever link prediction explanation benchmark, based on family structures present in the FB13 dataset. We demonstrate the use of this benchmark as a rich evaluation sandbox, probing LinkLogic quantitatively and qualitatively to assess the fidelity, selectivity and relevance of the generated explanations. We hope our work paves the way for more holistic and empirical assessment of knowledge graph prediction explanation methods in the future.

Due to growing population and technological advances, global electricity consumption, and consequently also CO2 emissions are increasing. The residential sector makes up 25% of global electricity consumption and has great potential to increase efficiency and reduce CO2 footprint without sacrificing comfort. However, a lack of uniform consumption data at the household level spanning multiple regions hinders large-scale studies and robust multi-region model development. This paper introduces a multi-region dataset compiled from publicly available sources and presented in a uniform format. This data enables machine learning tasks such as disaggregation, demand forecasting, appliance ON/OFF classification, etc. Furthermore, we develop an RDF knowledge graph that characterizes the electricity consumption of the households and contextualizes it with household related properties enabling semantic queries and interoperability with other open knowledge bases like Wikidata and DBpedia. This structured data can be utilized to inform various stakeholders towards data-driven policy and business development.

Temporal knowledge graph (TKG) reasoning has two settings: interpolation reasoning and extrapolation reasoning. Both of them draw plenty of research interest and have great significance. Methods of the former de-emphasize the temporal correlations among facts sequences, while methods of the latter require strict chronological order of knowledge and ignore inferring clues provided by missing facts of the past. These limit the practicability of TKG applications as almost all of the existing TKG reasoning methods are designed specifically to address either one setting. To this end, this paper proposes an original Temporal PAth-based Reasoning (TPAR) model for both the interpolation and extrapolation reasoning. TPAR performs a neural-driven symbolic reasoning fashion that is robust to ambiguous and noisy temporal data and with fine interpretability as well. Comprehensive experiments show that TPAR outperforms SOTA methods on the link prediction task for both the interpolation and the extrapolation settings. A novel pipeline experimental setting is designed to evaluate the performances of SOTA combinations and the proposed TPAR towards interpolation and extrapolation reasoning. More diverse experiments are conducted to show the robustness and interpretability of TPAR.

Multi-modal knowledge graph completion (MMKGC) aims to automatically discover new knowledge triples in the given multi-modal knowledge graphs (MMKGs), which is achieved by collaborative modeling the structural information concealed in massive triples and the multi-modal features of the entities. Existing methods tend to focus on crafting elegant entity-wise multi-modal fusion strategies, yet they overlook the utilization of multi-perspective features concealed within the modalities under diverse relational contexts. To address this issue, we introduce a novel MMKGC framework with Mixture of Modality Knowledge experts (MoMoK for short) to learn adaptive multi-modal embedding under intricate relational contexts. We design relation-guided modality knowledge experts to acquire relation-aware modality embeddings and integrate the predictions from multi-modalities to achieve comprehensive decisions. Additionally, we disentangle the experts by minimizing their mutual information. Experiments on four public MMKG benchmarks demonstrate the outstanding performance of MoMoK under complex scenarios.

Knowledge Graph Embedding (KGE), which projects entities and relations into continuous vector spaces, have garnered significant attention. Although high-dimensional KGE methods offer better performance, they come at the expense of significant computation and memory overheads. Decreasing embedding dimensions significantly deteriorates model performance. While several recent efforts utilize knowledge distillation or non-Euclidean representation learning to augment the effectiveness of low-dimensional KGE, they either necessitate a pre-trained high-dimensional teacher model or involve complex non-Euclidean operations, thereby incurring considerable additional computational costs. To address this, this work proposes Confidence-aware Self-Knowledge Distillation (CSD) that learns from model itself to enhance KGE in a low-dimensional space. Specifically, CSD extracts knowledge from embeddings in previous iterations, which would be utilized to supervise the learning of the model in the next iterations. Moreover, a specific semantic module is developed to filter reliable knowledge by estimating the confidence of previously learned embeddings. This straightforward strategy bypasses the need for time-consuming pre-training of teacher models and can be integrated into various KGE methods to improve their performance. Our comprehensive experiments on six KGE backbones and four datasets underscore the effectiveness of the proposed CSD.