Machine learning has become a crucial tool for predicting the properties of crystalline materials. However, existing methods primarily represent material information by constructing multi-edge graphs of crystal structures, often overlooking the chemical and physical properties of elements (such as atomic radius, electronegativity, melting point, and ionization energy), which have a significant impact on material performance. To address this limitation, we first constructed an element property knowledge graph and utilized an embedding model to encode the element attributes within the knowledge graph. Furthermore, we propose a multimodal fusion framework, ESNet, which integrates element property features with crystal structure features to generate joint multimodal representations. This provides a more comprehensive perspective for predicting the performance of crystalline materials, enabling the model to consider both microstructural composition and chemical characteristics of the materials. We conducted experiments on the Materials Project benchmark dataset, which showed leading performance in the bandgap prediction task and achieved results on a par with existing benchmarks in the formation energy prediction task.

The Knowledge Graph Completion~(KGC) task aims to infer the missing entity from an incomplete triple. Existing embedding-based methods rely solely on triples in the KG, which is vulnerable to specious relation patterns and long-tail entities. On the other hand, text-based methods struggle with the semantic gap between KG triples and natural language. Apart from triples, entity contexts (e.g., labels, descriptions, aliases) also play a significant role in augmenting KGs. To address these limitations, we propose KGR3, a context-enriched framework for KGC. KGR3 is composed of three modules. Firstly, the Retrieval module gathers supporting triples from the KG, collects plausible candidate answers from a base embedding model, and retrieves context for each related entity. Then, the Reasoning module employs a large language model to generate potential answers for each query triple. Finally, the Re-ranking module combines candidate answers from the two modules mentioned above, and fine-tunes an LLM to provide the best answer. Extensive experiments on widely used datasets demonstrate that KGR3 consistently improves various KGC methods. Specifically, the best variant of KGR3 achieves absolute Hits@1 improvements of 12.3% and 5.6% on the FB15k237 and WN18RR datasets.

As the field of quantum physics evolves, researchers naturally form subgroups focusing on specialized problems. While this encourages in-depth exploration, it can limit the exchange of ideas across structurally similar problems in different subfields. To encourage cross-talk among these different specialized areas, data-driven approaches using machine learning have recently shown promise to uncover meaningful connections between research concepts, promoting cross-disciplinary innovation. Current state-of-the-art approaches represent concepts using knowledge graphs and frame the task as a link prediction problem, where connections between concepts are explicitly modeled. In this work, we introduce a novel approach based on dynamic word embeddings for concept combination prediction. Unlike knowledge graphs, our method captures implicit relationships between concepts, can be learned in a fully unsupervised manner, and encodes a broader spectrum of information. We demonstrate that this representation enables accurate predictions about the co-occurrence of concepts within research abstracts over time. To validate the effectiveness of our approach, we provide a comprehensive benchmark against existing methods and offer insights into the interpretability of these embeddings, particularly in the context of quantum physics research. Our findings suggest that this representation offers a more flexible and informative way of modeling conceptual relationships in scientific literature.

To effectively manage and utilize knowledge graphs, it is crucial to have metrics that can assess the quality of knowledge graphs from various perspectives. While there have been studies on knowledge graph quality metrics, there has been a lack of research on metrics that measure how richly ontologies, which form the backbone of knowledge graphs, are defined or the impact of richly defined ontologies. In this study, we propose a new metric called Class Granularity, which measures how well a knowledge graph is structured in terms of how finely classes with unique characteristics are defined. Furthermore, this research presents potential impact of Class Granularity in knowledge graph's on downstream tasks. In particular, we explore its influence on graph embedding and provide experimental results. Additionally, this research goes beyond traditional Linked Open Data comparison studies, which mainly focus on factors like scale and class distribution, by using Class Granularity to compare four different LOD sources.

By representing knowledge in a primary triple associated with additional attribute-value qualifiers, hyper-relational knowledge graph (HKG) that generalizes triple-based knowledge graph (KG) has been attracting research attention recently. Compared with KG, HKG is enriched with the semantic qualifiers as well as the hyper-relational graph structure. However, to model HKG, existing studies mainly focus on either semantic information or structural information therein, which however fail to capture both simultaneously. To tackle this issue, in this paper, we generalize the hyperedge expansion in hypergraph learning and propose an equivalent transformation for HKG modeling, referred to as TransEQ. Specifically, the equivalent transformation transforms a HKG to a KG, which considers both semantic and structural characteristics. Then an encoder-decoder framework is developed to bridge the modeling research between KG and HKG. In the encoder part, KG-based graph neural networks are leveraged for structural modeling; while in the decoder part, various HKG-based scoring functions are exploited for semantic modeling. Especially, we design the sharing embedding mechanism in the encoder-decoder framework with semantic relatedness captured. We further theoretically prove that TransEQ preserves complete information in the equivalent transformation, and also achieves full expressivity. Finally, extensive experiments on three benchmarks demonstrate the superior performance of TransEQ in terms of both effectiveness and efficiency. On the largest benchmark WikiPeople, TransEQ significantly improves the state-of-the-art models by 15\% on MRR.

In the era of Generative AI, Neurosymbolic AI is emerging as a powerful approach for tasks spanning from perception to cognition. The use of Neurosymbolic AI has been shown to achieve enhanced capabilities, including improved grounding, alignment, explainability, and reliability. However, due to its nascent stage, there is a lack of widely available real-world benchmark datasets tailored to Neurosymbolic AI tasks. To address this gap and support the evaluation of current and future methods, we introduce DSceneKG -- a suite of knowledge graphs of driving scenes built from real-world, high-quality scenes from multiple open autonomous driving datasets. In this article, we detail the construction process of DSceneKG and highlight its application in seven different tasks. DSceneKG is publicly accessible at: https://github.com/ruwantw/DSceneKG

Hyperbolic rotation is commonly used to effectively model knowledge graphs and their inherent hierarchies. However, existing hyperbolic rotation models rely on logarithmic and exponential mappings for feature transformation. These models only project data features into hyperbolic space for rotation, limiting their ability to fully exploit the hyperbolic space. To address this problem, we propose a novel fully hyperbolic model designed for knowledge graph embedding. Instead of feature mappings, we define the model directly in hyperbolic space with the Lorentz model. Our model considers each relation in knowledge graphs as a Lorentz rotation from the head entity to the tail entity. We adopt the Lorentzian version distance as the scoring function for measuring the plausibility of triplets. Extensive results on standard knowledge graph completion benchmarks demonstrated that our model achieves competitive results with fewer parameters. In addition, our model get the state-of-the-art performance on datasets of CoDEx-s and CoDEx-m, which are more diverse and challenging than before. Our code is available at https://github.com/llqy123/FHRE.

Language models for American Sign Language (ASL) could make language technologies substantially more accessible to those who sign. To train models on tasks such as isolated sign recognition (ISR) and ASL-to-English translation, datasets provide annotated video examples of ASL signs. To facilitate the generalizability and explainability of these models, we introduce the American Sign Language Knowledge Graph (ASLKG), compiled from twelve sources of expert linguistic knowledge. We use the ASLKG to train neuro-symbolic models for 3 ASL understanding tasks, achieving accuracies of 91% on ISR, 14% for predicting the semantic features of unseen signs, and 36% for classifying the topic of Youtube-ASL videos.

The Spatial Knowledge Graphs (SKG) are experiencing growing adoption as a means to model real-world entities, proving especially invaluable in domains like crisis management and urban planning. Considering that RDF specifications offer limited support for effectively managing spatial information, it's common practice to include text-based serializations of geometrical features, such as polygons and lines, as string literals in knowledge graphs. Consequently, Spatial Knowledge Graphs (SKGs) often rely on geo-enabled RDF Stores capable of parsing, interpreting, and indexing such serializations. In this paper, we leverage grid cells as the foundational element of SKGs and demonstrate how efficiently the spatial characteristics of real-world entities and their attributes can be encoded within knowledge graphs. Furthermore, we introduce a novel methodology for representing street networks in knowledge graphs, diverging from the conventional practice of individually capturing each street segment. Instead, our approach is based on tessellating the street network using grid cells and creating a simplified representation that could be utilized for various routing and navigation tasks, solely relying on RDF specifications.

Knowledge Graphs have emerged as a compelling abstraction for capturing key relationship among the entities of interest to enterprises and for integrating data from heterogeneous sources. JPMorgan Chase (JPMC) is leading this trend by leveraging knowledge graphs across the organization for multiple mission critical applications such as risk assessment, fraud detection, investment advice, etc. A core problem in leveraging a knowledge graph is to link mentions (e.g., company names) that are encountered in textual sources to entities in the knowledge graph. Although several techniques exist for entity linking, they are tuned for entities that exist in Wikipedia, and fail to generalize for the entities that are of interest to an enterprise. In this paper, we propose a novel end-to-end neural entity linking model (JEL) that uses minimal context information and a margin loss to generate entity embeddings, and a Wide & Deep Learning model to match character and semantic information respectively. We show that JEL achieves the state-of-the-art performance to link mentions of company names in financial news with entities in our knowledge graph. We report on our efforts to deploy this model in the company-wide system to generate alerts in response to financial news. The methodology used for JEL is directly applicable and usable by other enterprises who need entity linking solutions for data that are unique to their respective situations.