Multi-modal knowledge graphs (MMKGs) combine different modal data (e.g., text and image) for a comprehensive understanding of entities. Despite the recent progress of large-scale MMKGs, existing MMKGs neglect the multi-aspect nature of entities, limiting the ability to comprehend entities from various perspectives. In this paper, we construct AspectMMKG, the first MMKG with aspect-related images by matching images to different entity aspects. Specifically, we collect aspect-related images from a knowledge base, and further extract aspect-related sentences from the knowledge base as queries to retrieve a large number of aspect-related images via an online image search engine. Finally, AspectMMKG contains 2,380 entities, 18,139 entity aspects, and 645,383 aspect-related images. We demonstrate the usability of AspectMMKG in entity aspect linking (EAL) downstream task and show that previous EAL models achieve a new state-of-the-art performance with the help of AspectMMKG. To facilitate the research on aspect-related MMKG, we further propose an aspect-related image retrieval (AIR) model, that aims to correct and expand aspect-related images in AspectMMKG. We train an AIR model to learn the relationship between entity image and entity aspect-related images by incorporating entity image, aspect, and aspect image information. Experimental results indicate that the AIR model could retrieve suitable images for a given entity w.r.t different aspects.
A knowledge graph is a powerful representation of real-world entities and their relations. The vast majority of these relations are defined as positive statements, but the importance of negative statements is increasingly recognized, especially under an Open World Assumption. Explicitly considering negative statements has been shown to improve performance on tasks such as entity summarization and question answering or domain-specific tasks such as protein function prediction. However, no attention has been given to the exploration of negative statements by knowledge graph embedding approaches despite the potential of negative statements to produce more accurate representations of entities in a knowledge graph. We propose a novel approach, TrueWalks, to incorporate negative statements into the knowledge graph representation learning process. In particular, we present a novel walk-generation method that is able to not only differentiate between positive and negative statements but also take into account the semantic implications of negation in ontology-rich knowledge graphs. This is of particular importance for applications in the biomedical domain, where the inadequacy of embedding approaches regarding negative statements at the ontology level has been identified as a crucial limitation. We evaluate TrueWalks in ontology-rich biomedical knowledge graphs in two different predictive tasks based on KG embeddings: protein-protein interaction prediction and gene-disease association prediction. We conduct an extensive analysis over established benchmarks and demonstrate that our method is able to improve the performance of knowledge graph embeddings on all tasks.
Temporal characteristics are prominently evident in a substantial volume of knowledge, which underscores the pivotal role of Temporal Knowledge Graphs (TKGs) in both academia and industry. However, TKGs often suffer from incompleteness for three main reasons: the continuous emergence of new knowledge, the weakness of the algorithm for extracting structured information from unstructured data, and the lack of information in the source dataset. Thus, the task of Temporal Knowledge Graph Completion (TKGC) has attracted increasing attention, aiming to predict missing items based on the available information. In this paper, we provide a comprehensive review of TKGC methods and their details. Specifically, this paper mainly consists of three components, namely, 1)Background, which covers the preliminaries of TKGC methods, loss functions required for training, as well as the dataset and evaluation protocol; 2)Interpolation, that estimates and predicts the missing elements or set of elements through the relevant available information. It further categorizes related TKGC methods based on how to process temporal information; 3)Extrapolation, which typically focuses on continuous TKGs and predicts future events, and then classifies all extrapolation methods based on the algorithms they utilize. We further pinpoint the challenges and discuss future research directions of TKGC.
The recent advances in large language models (LLM) and foundation models with emergent capabilities have been shown to improve the performance of many NLP tasks. LLMs and Knowledge Graphs (KG) can complement each other such that LLMs can be used for KG construction or completion while existing KGs can be used for different tasks such as making LLM outputs explainable or fact-checking in Neuro-Symbolic manner. In this paper, we present Text2KGBench, a benchmark to evaluate the capabilities of language models to generate KGs from natural language text guided by an ontology. Given an input ontology and a set of sentences, the task is to extract facts from the text while complying with the given ontology (concepts, relations, domain/range constraints) and being faithful to the input sentences. We provide two datasets (i) Wikidata-TekGen with 10 ontologies and 13,474 sentences and (ii) DBpedia-WebNLG with 19 ontologies and 4,860 sentences. We define seven evaluation metrics to measure fact extraction performance, ontology conformance, and hallucinations by LLMs. Furthermore, we provide results for two baseline models, Vicuna-13B and Alpaca-LoRA-13B using automatic prompt generation from test cases. The baseline results show that there is room for improvement using both Semantic Web and Natural Language Processing techniques.
An attractive book cover is important for the success of a book. In this paper, we apply Generative Adversarial Networks (GANs) to the book covers domain, using different methods for training in order to obtain better generated images. We interleave GANs with knowledge graphs to alter the input title to obtain multiple possible options for any given title, which are then used as an augmented input to the generator. Finally, we use the discriminator obtained during the training phase to select the best images generated with new titles. Our method performed better at generating book covers than previous attempts, and the knowledge graph gives better options to the book author or editor compared to using GANs alone.
Artificial intelligence (AI) is expected to be embodied in software agents, robots, and cyber-physical systems that can understand the various contextual information of daily life in the home environment to support human behavior and decision making in various situations. Scene graph and knowledge graph (KG) construction technologies have attracted much attention for knowledge-based embodied question answering meeting this expectation. However, collecting and managing real data on daily activities under various experimental conditions in a physical space are quite costly, and developing AI that understands the intentions and contexts is difficult. In the future, data from both virtual spaces, where conditions can be easily modified, and physical spaces, where conditions are difficult to change, are expected to be combined to analyze daily living activities. However, studies on the KG construction of daily activities using virtual space and their application have yet to progress. The potential and challenges must still be clarified to facilitate AI development for human daily life. Thus, this study proposes the VirtualHome2KG framework to generate synthetic KGs of daily life activities in virtual space. This framework augments both the synthetic video data of daily activities and the contextual semantic data corresponding to the video contents based on the proposed event-centric schema and virtual space simulation results. Therefore, context-aware data can be analyzed, and various applications that have conventionally been difficult to develop due to the insufficient availability of relevant data and semantic information can be developed. We also demonstrate herein the utility and potential of the proposed VirtualHome2KG framework through several use cases, including the analysis of daily activities by querying, embedding, and clustering, and fall risk detection among ...
To answer complex queries on knowledge graphs, logical reasoning over incomplete knowledge is required due to the open-world assumption. Learning-based methods are essential because they are capable of generalizing over unobserved knowledge. Therefore, an appropriate dataset is fundamental to both obtaining and evaluating such methods under this paradigm. In this paper, we propose a comprehensive framework for data generation, model training, and method evaluation that covers the combinatorial space of Existential First-order Queries with multiple variables ($\text{EFO}_{k}$). The combinatorial query space in our framework significantly extends those defined by set operations in the existing literature. Additionally, we construct a dataset, $\text{EFO}_{k}$-CQA, with 741 types of query for empirical evaluation, and our benchmark results provide new insights into how query hardness affects the results. Furthermore, we demonstrate that the existing dataset construction process is systematically biased that hinders the appropriate development of query-answering methods, highlighting the importance of our work. Our code and data are provided in~\url{https://github.com/HKUST-KnowComp/EFOK-CQA}.
The task of entity alignment between knowledge graphs (KGs) aims to identify every pair of entities from two different KGs that represent the same entity. Many machine learning-based methods have been proposed for this task. However, to our best knowledge, existing methods all require manually crafted seed alignments, which are expensive to obtain. In this paper, we propose the first fully automatic alignment method named AutoAlign, which does not require any manually crafted seed alignments. Specifically, for predicate embeddings, AutoAlign constructs a predicate-proximity-graph with the help of large language models to automatically capture the similarity between predicates across two KGs. For entity embeddings, AutoAlign first computes the entity embeddings of each KG independently using TransE, and then shifts the two KGs' entity embeddings into the same vector space by computing the similarity between entities based on their attributes. Thus, both predicate alignment and entity alignment can be done without manually crafted seed alignments. AutoAlign is not only fully automatic, but also highly effective. Experiments using real-world KGs show that AutoAlign improves the performance of entity alignment significantly compared to state-of-the-art methods.
Conversational recommender systems (CRS) aim to timely trace the dynamic interests of users through dialogues and generate relevant responses for item recommendations. Recently, various external knowledge bases (especially knowledge graphs) are incorporated into CRS to enhance the understanding of conversation contexts. However, recent reasoning-based models heavily rely on simplified structures such as linear structures or fixed-hierarchical structures for causality reasoning, hence they cannot fully figure out sophisticated relationships among utterances with external knowledge. To address this, we propose a novel Tree structure Reasoning schEmA named TREA. TREA constructs a multi-hierarchical scalable tree as the reasoning structure to clarify the causal relationships between mentioned entities, and fully utilizes historical conversations to generate more reasonable and suitable responses for recommended results. Extensive experiments on two public CRS datasets have demonstrated the effectiveness of our approach.
Stemming from traditional knowledge graphs (KGs), hyper-relational KGs (HKGs) provide additional key-value pairs (i.e., qualifiers) for each KG fact that help to better restrict the fact validity. In recent years, there has been an increasing interest in studying graph reasoning over HKGs. Meanwhile, as discussed in recent works that focus on temporal KGs (TKGs), world knowledge is ever-evolving, making it important to reason over temporal facts in KGs. Previous mainstream benchmark HKGs do not explicitly specify temporal information for each HKG fact. Therefore, almost all existing HKG reasoning approaches do not devise any module specifically for temporal reasoning. To better study temporal fact reasoning over HKGs, we propose a new type of data structure named hyper-relational TKG (HTKG). Every fact in an HTKG is coupled with a timestamp explicitly indicating its time validity. We develop two new benchmark HTKG datasets, i.e., Wiki-hy and YAGO-hy, and propose an HTKG reasoning model that efficiently models hyper-relational temporal facts. To support future research on this topic, we open-source our datasets and model.
Molecular knowledge resides within three different modalities of information sources: molecular structures, biomedical documents, and knowledge bases. Effective incorporation of molecular knowledge from these modalities holds paramount significance in facilitating biomedical research. However, existing multimodal molecular foundation models exhibit limitations in capturing intricate connections between molecular structures and texts, and more importantly, none of them attempt to leverage a wealth of molecular expertise derived from knowledge graphs. In this study, we introduce MolFM, a multimodal molecular foundation model designed to facilitate joint representation learning from molecular structures, biomedical texts, and knowledge graphs. We propose cross-modal attention between atoms of molecular structures, neighbors of molecule entities and semantically related texts to facilitate cross-modal comprehension. We provide theoretical analysis that our cross-modal pre-training captures local and global molecular knowledge by minimizing the distance in the feature space between different modalities of the same molecule, as well as molecules sharing similar structures or functions. MolFM achieves state-of-the-art performance on various downstream tasks. On cross-modal retrieval, MolFM outperforms existing models with 12.13% and 5.04% absolute gains under the zero-shot and fine-tuning settings, respectively. Furthermore, qualitative analysis showcases MolFM's implicit ability to provide grounding from molecular substructures and knowledge graphs. Code and models are available on https://github.com/BioFM/OpenBioMed.
Although large language models (LLMs) have achieved significant success in various tasks, they often struggle with hallucination problems, especially in scenarios requiring deep and responsible reasoning. These issues could be partially addressed by introducing external knowledge graphs (KG) in LLM reasoning. In this paper, we propose a new LLM-KG integrating paradigm ``$\hbox{LLM}\otimes\hbox{KG}$'' which treats the LLM as an agent to interactively explore related entities and relations on KGs and perform reasoning based on the retrieved knowledge. We further implement this paradigm by introducing a new approach called Think-on-Graph (ToG), in which the LLM agent iteratively executes beam search on KG, discovers the most promising reasoning paths, and returns the most likely reasoning results. We use a number of well-designed experiments to examine and illustrate the following advantages of ToG: 1) compared with LLMs, ToG has better deep reasoning power; 2) ToG has the ability of knowledge traceability and knowledge correctability by leveraging LLMs reasoning and expert feedback; 3) ToG provides a flexible plug-and-play framework for different LLMs, KGs and prompting strategies without any additional training cost; 4) the performance of ToG with small LLM models could exceed large LLM such as GPT-4 in certain scenarios and this reduces the cost of LLM deployment and application. As a training-free method with lower computational cost and better generality, ToG achieves overall SOTA in 6 out of 9 datasets where most previous SOTAs rely on additional training.
Explainable AI (XAI) is an increasingly important area of machine learning research, which aims to make black-box models transparent and interpretable. In this paper, we propose a novel approach to XAI that uses the so-called counterfactual paths generated by conditional permutations of features. The algorithm measures feature importance by identifying sequential permutations of features that most influence changes in model predictions. It is particularly suitable for generating explanations based on counterfactual paths in knowledge graphs incorporating domain knowledge. Counterfactual paths introduce an additional graph dimension to current XAI methods in both explaining and visualizing black-box models. Experiments with synthetic and medical data demonstrate the practical applicability of our approach.
In any system that uses structured knowledge graph (KG) data as its underlying knowledge representation, KG-to-text generation is a useful tool for turning parts of the graph data into text that can be understood by humans. Recent work has shown that models that make use of pretraining on large amounts of text data can perform well on the KG-to-text task even with relatively small sets of training data on the specific graph-to-text task. In this paper, we build on this concept by using large language models to perform zero-shot generation based on nothing but the model's understanding of the triple structure from what it can read. We show that ChatGPT achieves near state-of-the-art performance on some measures of the WebNLG 2020 challenge, but falls behind on others. Additionally, we compare factual, counter-factual and fictional statements, and show that there is a significant connection between what the LLM already knows about the data it is parsing and the quality of the output text.
Aiming to support Retrieval Augmented Generation (RAG) in the design process, we present a method to identify explicit, engineering design facts - {head entity :: relationship :: tail entity} from patented artefact descriptions. Given a sentence with a pair of entities (based on noun phrases) marked in a unique manner, our method extracts the relationship that is explicitly communicated in the sentence. For this task, we create a dataset of 375,084 examples and fine-tune language models for relation identification (token classification) and elicitation (sequence-to-sequence). The token classification approach achieves up to 99.7% accuracy. Upon applying the method to a domain of 4,870 fan system patents, we populate a knowledge base of over 2.93 million facts. Using this knowledge base, we demonstrate how Large Language Models (LLMs) are guided by explicit facts to synthesise knowledge and generate technical and cohesive responses when sought out for knowledge retrieval tasks in the design process.
Knowledge Graphs (KG) provide us with a structured, flexible, transparent, cross-system, and collaborative way of organizing our knowledge and data across various domains in society and industrial as well as scientific disciplines. KGs surpass any other form of representation in terms of effectiveness. However, Knowledge Graph Engineering (KGE) requires in-depth experiences of graph structures, web technologies, existing models and vocabularies, rule sets, logic, as well as best practices. It also demands a significant amount of work. Considering the advancements in large language models (LLMs) and their interfaces and applications in recent years, we have conducted comprehensive experiments with ChatGPT to explore its potential in supporting KGE. In this paper, we present a selection of these experiments and their results to demonstrate how ChatGPT can assist us in the development and management of KGs.
Knowledge Graph Embedding (KGE) models are used to learn continuous representations of entities and relations. A key task in the literature is predicting missing links between entities. However, Knowledge Graphs are not just sets of links but also have semantics underlying their structure. Semantics is crucial in several downstream tasks, such as query answering or reasoning. We introduce the subgraph inference task, where a model has to generate likely and semantically valid subgraphs. We propose IntelliGraphs, a set of five new Knowledge Graph datasets. The IntelliGraphs datasets contain subgraphs with semantics expressed in logical rules for evaluating subgraph inference. We also present the dataset generator that produced the synthetic datasets. We designed four novel baseline models, which include three models based on traditional KGEs. We evaluate their expressiveness and show that these models cannot capture the semantics. We believe this benchmark will encourage the development of machine learning models that emphasize semantic understanding.
Entity alignment (EA) aims to find the equivalent entity pairs between different knowledge graphs (KGs), which is crucial to promote knowledge fusion. With the wide use of temporal knowledge graphs (TKGs), time-aware EA (TEA) methods appear to enhance EA. Existing TEA models are based on Graph Neural Networks (GNN) and achieve state-of-the-art (SOTA) performance, but it is difficult to transfer them to large-scale TKGs due to the scalability issue of GNN. In this paper, we propose an effective and efficient non-neural EA framework between TKGs, namely LightTEA, which consists of four essential components: (1) Two-aspect Three-view Label Propagation, (2) Sparse Similarity with Temporal Constraints, (3) Sinkhorn Operator, and (4) Temporal Iterative Learning. All of these modules work together to improve the performance of EA while reducing the time consumption of the model. Extensive experiments on public datasets indicate that our proposed model significantly outperforms the SOTA methods for EA between TKGs, and the time consumed by LightTEA is only dozens of seconds at most, no more than 10% of the most efficient TEA method.
Translational research requires data at multiple scales of biological organization. Advancements in sequencing and multi-omics technologies have increased the availability of these data, but researchers face significant integration challenges. Knowledge graphs (KGs) are used to model complex phenomena, and methods exist to construct them automatically. However, tackling complex biomedical integration problems requires flexibility in the way knowledge is modeled. Moreover, existing KG construction methods provide robust tooling at the cost of fixed or limited choices among knowledge representation models. PheKnowLator (Phenotype Knowledge Translator) is a semantic ecosystem for automating the FAIR (Findable, Accessible, Interoperable, and Reusable) construction of ontologically grounded KGs with fully customizable knowledge representation. The ecosystem includes KG construction resources (e.g., data preparation APIs), analysis tools (e.g., SPARQL endpoints and abstraction algorithms), and benchmarks (e.g., prebuilt KGs and embeddings). We evaluated the ecosystem by systematically comparing it to existing open-source KG construction methods and by analyzing its computational performance when used to construct 12 large-scale KGs. With flexible knowledge representation, PheKnowLator enables fully customizable KGs without compromising performance or usability.
Personalized recommender systems play a crucial role in direct marketing, particularly in financial services, where delivering relevant content can enhance customer engagement and promote informed decision-making. This study explores interpretable knowledge graph (KG)-based recommender systems by proposing two distinct approaches for personalized article recommendations within a multinational financial services firm. The first approach leverages Reinforcement Learning (RL) to traverse a KG constructed from both structured (tabular) and unstructured (textual) data, enabling interpretability through Path Directed Reasoning (PDR). The second approach employs the XGBoost algorithm, with post-hoc explainability techniques such as SHAP and ELI5 to enhance transparency. By integrating machine learning with automatically generated KGs, our methods not only improve recommendation accuracy but also provide interpretable insights, facilitating more informed decision-making in customer relationship management.