Inductive link prediction -- where entities during training and inference stages can be different -- has shown great potential for completing evolving knowledge graphs in an entity-independent manner. Many popular methods mainly focus on modeling graph-level features, while the edge-level interactions -- especially the semantic correlations between relations -- have been less explored. However, we notice a desirable property of semantic correlations between relations is that they are inherently edge-level and entity-independent. This implies the great potential of the semantic correlations for the entity-independent inductive link prediction task. Inspired by this observation, we propose a novel subgraph-based method, namely TACO, to model Topology-Aware COrrelations between relations that are highly correlated to their topological structures within subgraphs. Specifically, we prove that semantic correlations between any two relations can be categorized into seven topological patterns, and then proposes Relational Correlation Network (RCN) to learn the importance of each pattern. To further exploit the potential of RCN, we propose Complete Common Neighbor induced subgraph that can effectively preserve complete topological patterns within the subgraph. Extensive experiments demonstrate that TACO effectively unifies the graph-level information and edge-level interactions to jointly perform reasoning, leading to a superior performance over existing state-of-the-art methods for the inductive link prediction task.
An effective and efficient review of construction contracts is essential for minimizing construction projects losses, but current methods are time-consuming and error-prone. Studies using methods based on Natural Language Processing (NLP) exist, but their scope is often limited to text classification or segmented label prediction. This paper investigates whether integrating Large Language Models (LLMs) and Knowledge Graphs (KGs) can enhance the accuracy and interpretability of automated contract risk identification. A tuning-free approach is proposed that integrates LLMs with a Nested Contract Knowledge Graph (NCKG) using a Graph Retrieval-Augmented Generation (GraphRAG) framework for contract knowledge retrieval and reasoning. Tested on international EPC contracts, the method achieves more accurate risk evaluation and interpretable risk summaries than baseline models. These findings demonstrate the potential of combining LLMs and KGs for reliable reasoning in tasks that are knowledge-intensive and specialized, such as contract review.
We present a comprehensive benchmark dataset for Knowledge Graph Question Answering in Materials Science (KGQA4MAT), with a focus on metal-organic frameworks (MOFs). A knowledge graph for metal-organic frameworks (MOF-KG) has been constructed by integrating structured databases and knowledge extracted from the literature. To enhance MOF-KG accessibility for domain experts, we aim to develop a natural language interface for querying the knowledge graph. We have developed a benchmark comprised of 161 complex questions involving comparison, aggregation, and complicated graph structures. Each question is rephrased in three additional variations, resulting in 644 questions and 161 KG queries. To evaluate the benchmark, we have developed a systematic approach for utilizing the LLM, ChatGPT, to translate natural language questions into formal KG queries. We also apply the approach to the well-known QALD-9 dataset, demonstrating ChatGPT's potential in addressing KGQA issues for different platforms and query languages. The benchmark and the proposed approach aim to stimulate further research and development of user-friendly and efficient interfaces for querying domain-specific materials science knowledge graphs, thereby accelerating the discovery of novel materials.
Our research explores the use of natural language processing (NLP) methods to automatically classify entities for the purpose of knowledge graph population and integration with food system ontologies. We have created NLP models that can automatically classify organizations with respect to categories associated with environmental issues as well as Standard Industrial Classification (SIC) codes, which are used by the U.S. government to characterize business activities. As input, the NLP models are provided with text snippets retrieved by the Google search engine for each organization, which serves as a textual description of the organization that is used for learning. Our experimental results show that NLP models can achieve reasonably good performance for these two classification tasks, and they rely on a general framework that could be applied to many other classification problems as well. We believe that NLP models represent a promising approach for automatically harvesting information to populate knowledge graphs and aligning the information with existing ontologies through shared categories and concepts.
Cross-lingual entity alignment is the task of finding the same semantic entities from different language knowledge graphs. In this paper, we propose a simple and novel unsupervised method for cross-language entity alignment. We utilize the deep learning multi-language encoder combined with a machine translator to encode knowledge graph text, which reduces the reliance on label data. Unlike traditional methods that only emphasize global or local alignment, our method simultaneously considers both alignment strategies. We first view the alignment task as a bipartite matching problem and then adopt the re-exchanging idea to accomplish alignment. Compared with the traditional bipartite matching algorithm that only gives one optimal solution, our algorithm generates ranked matching results which enabled many potentials downstream tasks. Additionally, our method can adapt two different types of optimization (minimal and maximal) in the bipartite matching process, which provides more flexibility. Our evaluation shows, we each scored 0.966, 0.990, and 0.996 Hits@1 rates on the DBP15K dataset in Chinese, Japanese, and French to English alignment tasks. We outperformed the state-of-the-art method in unsupervised and semi-supervised categories. Compared with the state-of-the-art supervised method, our method outperforms 2.6% and 0.4% in Ja-En and Fr-En alignment tasks while marginally lower by 0.2% in the Zh-En alignment task.
Generative AI, the most popular current approach to AI, consists of large language models (LLMs) that are trained to produce outputs that are plausible, but not necessarily correct. Although their abilities are often uncanny, they are lacking in aspects of reasoning, leading LLMs to be less than completely trustworthy. Furthermore, their results tend to be both unpredictable and uninterpretable. We lay out 16 desiderata for future AI, and discuss an alternative approach to AI which could theoretically address many of the limitations associated with current approaches: AI educated with curated pieces of explicit knowledge and rules of thumb, enabling an inference engine to automatically deduce the logical entailments of all that knowledge. Even long arguments produced this way can be both trustworthy and interpretable, since the full step-by-step line of reasoning is always available, and for each step the provenance of the knowledge used can be documented and audited. There is however a catch: if the logical language is expressive enough to fully represent the meaning of anything we can say in English, then the inference engine runs much too slowly. That's why symbolic AI systems typically settle for some fast but much less expressive logic, such as knowledge graphs. We describe how one AI system, Cyc, has developed ways to overcome that tradeoff and is able to reason in higher order logic in real time. We suggest that any trustworthy general AI will need to hybridize the approaches, the LLM approach and more formal approach, and lay out a path to realizing that dream.
Knowledge graphs (KGs) are widely used for representing and organizing structured knowledge in diverse domains. However, the creation and upkeep of KGs pose substantial challenges. Developing a KG demands extensive expertise in data modeling, ontology design, and data curation. Furthermore, KGs are dynamic, requiring continuous updates and quality control to ensure accuracy and relevance. These intricacies contribute to the considerable effort required for their development and maintenance. One critical dimension of KGs that warrants attention is reproducibility. The ability to replicate and validate KGs is fundamental for ensuring the trustworthiness and sustainability of the knowledge they represent. Reproducible KGs not only support open science by allowing others to build upon existing knowledge but also enhance transparency and reliability in disseminating information. Despite the growing number of domain-specific KGs, a comprehensive analysis concerning their reproducibility has been lacking. This paper addresses this gap by offering a general overview of domain-specific KGs and comparing them based on various reproducibility criteria. Our study over 19 different domains shows only eight out of 250 domain-specific KGs (3.2%) provide publicly available source code. Among these, only one system could successfully pass our reproducibility assessment (14.3%). These findings highlight the challenges and gaps in achieving reproducibility across domain-specific KGs. Our finding that only 0.4% of published domain-specific KGs are reproducible shows a clear need for further research and a shift in cultural practices.
Most algorithms for representation learning and link prediction on relational data are designed for static data. However, the data to which they are applied typically evolves over time, including online social networks or interactions between users and items in recommender systems. This is also the case for graph-structured knowledge bases -- knowledge graphs -- which contain facts that are valid only for specific points in time. In such contexts, it becomes crucial to correctly identify missing links at a precise time point, i.e. the temporal prediction link task. Recently, Lacroix et al. and Sadeghian et al. proposed a solution to the problem of link prediction for knowledge graphs under temporal constraints inspired by the canonical decomposition of 4-order tensors, where they regularise the representations of time steps by enforcing temporal smoothing, i.e. by learning similar transformation for adjacent timestamps. However, the impact of the choice of temporal regularisation terms is still poorly understood. In this work, we systematically analyse several choices of temporal smoothing regularisers using linear functions and recurrent architectures. In our experiments, we show that by carefully selecting the temporal smoothing regulariser and regularisation weight, a simple method like TNTComplEx can produce significantly more accurate results than state-of-the-art methods on three widely used temporal link prediction datasets. Furthermore, we evaluate the impact of a wide range of temporal smoothing regularisers on two state-of-the-art temporal link prediction models. Our work shows that simple tensor factorisation models can produce new state-of-the-art results using newly proposed temporal regularisers, highlighting a promising avenue for future research.
Large language models (LLMs) acquire extensive knowledge during pre-training, known as their parametric knowledge. However, in order to remain up-to-date and align with human instructions, LLMs inevitably require external knowledge during their interactions with users. This raises a crucial question: How will LLMs respond when external knowledge interferes with their parametric knowledge? To investigate this question, we propose a framework that systematically elicits LLM parametric knowledge and introduces external knowledge. Specifically, we uncover the impacts by constructing a parametric knowledge graph to reveal the different knowledge structures of LLMs, and introduce external knowledge through distractors of varying degrees, methods, positions, and formats. Our experiments on both black-box and open-source models demonstrate that LLMs tend to produce responses that deviate from their parametric knowledge, particularly when they encounter direct conflicts or confounding changes of information within detailed contexts. We also find that while LLMs are sensitive to the veracity of external knowledge, they can still be distracted by unrelated information. These findings highlight the risk of hallucination when integrating external knowledge, even indirectly, during interactions with current LLMs. All the data and results are publicly available.
Directed graphs are a natural model for many phenomena, in particular scientific knowledge graphs such as molecular interaction or chemical reaction networks that define cellular signaling relationships. In these situations, source nodes typically have distinct biophysical properties from sinks. Due to their ordered and unidirectional relationships, many such networks also have hierarchical and multiscale structure. However, the majority of methods performing node- and edge-level tasks in machine learning do not take these properties into account, and thus have not been leveraged effectively for scientific tasks such as cellular signaling network inference. We propose a new framework called Directed Scattering Autoencoder (DSAE) which uses a directed version of a geometric scattering transform, combined with the non-linear dimensionality reduction properties of an autoencoder and the geometric properties of the hyperbolic space to learn latent hierarchies. We show this method outperforms numerous others on tasks such as embedding directed graphs and learning cellular signaling networks.
Graph Neural Networks (GNNs) have gained popularity in healthcare and other domains due to their ability to process multi-modal and multi-relational graphs. However, efficient training of GNNs remains challenging, with several open research questions. In this paper, we investigate how the flow of embedding information within GNNs affects the prediction of links in Knowledge Graphs (KGs). Specifically, we propose a mathematical model that decouples the GNN connectivity from the connectivity of the graph data and evaluate the performance of GNNs in a clinical triage use case. Our results demonstrate that incorporating domain knowledge into the GNN connectivity leads to better performance than using the same connectivity as the KG or allowing unconstrained embedding propagation. Moreover, we show that negative edges play a crucial role in achieving good predictions, and that using too many GNN layers can degrade performance.
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.
With the rapid development of Internet and the expanding scale of social media, social event classification has attracted increasing attention. The key to social event classification is effectively leveraging the visual and textual semantics for classification. However, most of the existing approaches may suffer from the following limitations: (1) Most of them just simply concatenate the image features and text features to get the multimodal features and ignore the fine-grained semantic relationship between modalities. (2) The majority of them hold the closed-world assumption that all classes in test are already seen in training, while this assumption can be easily broken in real-world applications. In practice, new events on Internet may not belong to any existing/seen class, and therefore cannot be correctly identified by closed-world learning algorithms. To tackle these challenges, we propose an Open-World Social Event Classifier (OWSEC) model in this paper. Firstly, we design a multimodal mask transformer network to capture cross-modal semantic relations and fuse fine-grained multimodal features of social events while masking redundant information. Secondly, we design an open-world classifier and propose a cross-modal event mixture mechanism with a novel open-world classification loss to capture the potential distribution space of the unseen class. Extensive experiments on two public datasets demonstrate the superiority of our proposed OWSEC model for open-world social event classification.
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.
Large language models (LLMs), such as ChatGPT and GPT-4, are versatile and can solve different tasks due to their emergent ability and generalizability. However, LLMs sometimes lack domain-specific knowledge to perform tasks, which would also cause hallucination during inference. In some previous works, additional modules like graph neural networks (GNNs) are trained on retrieved knowledge from external knowledge bases, aiming to mitigate the problem of lacking domain-specific knowledge. However, incorporating additional modules: 1) would need retraining additional modules when encountering novel domains; 2) would become a bottleneck since LLMs' strong abilities are not fully utilized for retrieval. In this paper, we propose a paradigm, termed Knowledge Solver (KSL), to teach LLMs to search for essential knowledge from external knowledge bases by harnessing their own strong generalizability. Specifically, we design a simple yet effective prompt to transform retrieval into a multi-hop decision sequence, which empowers LLMs with searching knowledge ability in zero-shot manner. Additionally, KSL is able to provide complete retrieval paths and therefore increase explainability of LLMs' reasoning processes. We conduct experiments on three datasets: CommonsenseQA, OpenbookQA, and MedQA-USMLE, and found that our approach improves LLM baseline performance by a relatively large margin.
Extensive studies have been devoted to privatizing general-domain Large Language Models (LLMs) as Domain-Specific LLMs via feeding specific-domain data. However, these privatization efforts often ignored a critical aspect: Dual Logic Ability, which is a core reasoning ability for LLMs. The dual logic ability of LLMs ensures that they can maintain a consistent stance when confronted with both positive and negative statements about the same fact. Our study focuses on how the dual logic ability of LLMs is affected during the privatization process in the medical domain. We conduct several experiments to analyze the dual logic ability of LLMs by examining the consistency of the stance in responses to paired questions about the same fact. In our experiments, interestingly, we observed a significant decrease in the dual logic ability of existing LLMs after privatization. Besides, our results indicate that incorporating general domain dual logic data into LLMs not only enhances LLMs' dual logic ability but also further improves their accuracy. These findings underscore the importance of prioritizing LLMs' dual logic ability during the privatization process. Our study establishes a benchmark for future research aimed at exploring LLMs' dual logic ability during the privatization process and offers valuable guidance for privatization efforts in real-world applications.
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.
Logical rules are essential for uncovering the logical connections between relations, which could improve reasoning performance and provide interpretable results on knowledge graphs (KGs). Although there have been many efforts to mine meaningful logical rules over KGs, existing methods suffer from computationally intensive searches over the rule space and a lack of scalability for large-scale KGs. Besides, they often ignore the semantics of relations which is crucial for uncovering logical connections. Recently, large language models (LLMs) have shown impressive performance in the field of natural language processing and various applications, owing to their emergent ability and generalizability. In this paper, we propose a novel framework, ChatRule, unleashing the power of large language models for mining logical rules over knowledge graphs. Specifically, the framework is initiated with an LLM-based rule generator, leveraging both the semantic and structural information of KGs to prompt LLMs to generate logical rules. To refine the generated rules, a rule ranking module estimates the rule quality by incorporating facts from existing KGs. Last, the ranked rules can be used to conduct reasoning over KGs. ChatRule is evaluated on four large-scale KGs, w.r.t. different rule quality metrics and downstream tasks, showing the effectiveness and scalability of our method.
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.
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.