Continual Knowledge Graph Embedding (CKGE) seeks to integrate new knowledge while preserving past information. However, existing methods struggle with efficiency and scalability due to two key limitations: (1) suboptimal knowledge preservation between snapshots caused by manually designed node/relation importance scores that ignore graph dependencies relevant to the downstream task, and (2) computationally expensive graph traversal for node/relation importance calculation, leading to slow training and high memory overhead. To address these limitations, we introduce ETT-CKGE (Efficient, Task-driven, Tokens for Continual Knowledge Graph Embedding), a novel task-guided CKGE method that leverages efficient task-driven tokens for efficient and effective knowledge transfer between snapshots. Our method introduces a set of learnable tokens that directly capture task-relevant signals, eliminating the need for explicit node scoring or traversal. These tokens serve as consistent and reusable guidance across snapshots, enabling efficient token-masked embedding alignment between snapshots. Importantly, knowledge transfer is achieved through simple matrix operations, significantly reducing training time and memory usage. Extensive experiments across six benchmark datasets demonstrate that ETT-CKGE consistently achieves superior or competitive predictive performance, while substantially improving training efficiency and scalability compared to state-of-the-art CKGE methods. The code is available at: https://github.com/lijingzhu1/ETT-CKGE/tree/main
Knowledge graph embedding (KGE) models encode the structural information of knowledge graphs to predicting new links. Effective training of these models requires distinguishing between positive and negative samples with high precision. Although prior research has shown that improving the quality of negative samples can significantly enhance model accuracy, identifying high-quality negative samples remains a challenging problem. This paper theoretically investigates the condition under which negative samples lead to optimal KG embedding and identifies a sufficient condition for an effective negative sample distribution. Based on this theoretical foundation, we propose \textbf{E}mbedding \textbf{MU}tation (\textsc{EMU}), a novel framework that \emph{generates} negative samples satisfying this condition, in contrast to conventional methods that focus on \emph{identifying} challenging negative samples within the training data. Importantly, the simplicity of \textsc{EMU} ensures seamless integration with existing KGE models and negative sampling methods. To evaluate its efficacy, we conducted comprehensive experiments across multiple datasets. The results consistently demonstrate significant improvements in link prediction performance across various KGE models and negative sampling methods. Notably, \textsc{EMU} enables performance improvements comparable to those achieved by models with embedding dimension five times larger. An implementation of the method and experiments are available at https://github.com/nec-research/EMU-KG.
Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of disease pathology. Therefore, machine learning has been used to process gene expression data, with patient diagnosis emerging as one of the most popular applications. Although gene expression data can provide valuable insights, challenges arise because the number of patients in expression datasets is usually limited, and the data from different datasets with different gene expressions cannot be easily combined. This work proposes a novel methodology to address these challenges by integrating multiple gene expression datasets and domain-specific knowledge using knowledge graphs, a unique tool for biomedical data integration. Then, vector representations are produced using knowledge graph embedding techniques, which are used as inputs for a graph neural network and a multi-layer perceptron. We evaluate the efficacy of our methodology in three settings: single-dataset learning, multi-dataset learning, and transfer learning. The experimental results show that combining gene expression datasets and domain-specific knowledge improves patient diagnosis in all three settings.
Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease relations. We introduce a novel multimodal approach that unifies embeddings from specialized Language Models (LMs) with Graph Contrastive Learning (GCL) to enhance intra-entity relationships while employing a Knowledge Graph Embedding (KGE) model to capture inter-entity relationships for effective link prediction. To address limitations in existing BKGs, we present PrimeKG++, an enriched knowledge graph incorporating multimodal data, including biological sequences and textual descriptions for each entity type. By combining semantic and relational information in a unified representation, our approach demonstrates strong generalizability, enabling accurate link predictions even for unseen nodes. Experimental results on PrimeKG++ and the DrugBank drug-target interaction dataset demonstrate the effectiveness and robustness of our method across diverse biomedical datasets. Our source code, pre-trained models, and data are publicly available at https://github.com/HySonLab/BioMedKG
Quaternion contains one real part and three imaginary parts, which provided a more expressive hypercomplex space for learning knowledge graph. Existing quaternion embedding models measure the plausibility of a triplet either through semantic matching or geometric distance scoring functions. However, it appears that semantic matching diminishes the separability of entities, while the distance scoring function weakens the semantics of entities. To address this issue, we propose a novel quaternion knowledge graph embedding model. Our model combines semantic matching with entity's geometric distance to better measure the plausibility of triplets. Specifically, in the quaternion space, we perform a right rotation on head entity and a reverse rotation on tail entity to learn rich semantic features. Then, we utilize distance adaptive translations to learn geometric distance between entities. Furthermore, we provide mathematical proofs to demonstrate our model can handle complex logical relationships. Extensive experimental results and analyses show our model significantly outperforms previous models on well-known knowledge graph completion benchmark datasets. Our code is available at https://github.com/llqy123/DaBR.
A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE from the view of group theory. Our model can incorporate existing models (i.e., generality), ensure the computation is tractable (i.e., efficiency) and enjoy the expressive power of complex random variables (i.e., expressiveness). The core idea is that we embed entities/relations as elements of a symmetric group, i.e., permutations of a set. Permutations of different sets can reflect different properties of embedding. And the group operation of symmetric groups is easy to compute. In specific, we show that the embedding of many existing models, point vectors, can be seen as elements of a symmetric group. To reflect uncertainty, we first embed entities/relations as permutations of a set of random variables. A permutation can transform a simple random variable into a complex random variable for greater expressiveness, called a normalizing flow. We then define scoring functions by measuring the similarity of two normalizing flows, namely NFE. We construct several instantiating models and prove that they are able to learn logical rules. Experimental results demonstrate the effectiveness of introducing uncertainty and our model. The code is available at https://github.com/changyi7231/NFE.
Knowledge Graph Completion has been increasingly adopted as a useful method for several tasks in biomedical research, like drug repurposing or drug-target identification. To that end, a variety of datasets and Knowledge Graph Embedding models has been proposed over the years. However, little is known about the properties that render a dataset useful for a given task and, even though theoretical properties of Knowledge Graph Embedding models are well understood, their practical utility in this field remains controversial. We conduct a comprehensive investigation into the topological properties of publicly available biomedical Knowledge Graphs and establish links to the accuracy observed in real-world applications. By releasing all model predictions and a new suite of analysis tools we invite the community to build upon our work and continue improving the understanding of these crucial applications.
Temporal knowledge graph completion aims to infer the missing facts in temporal knowledge graphs. Current approaches usually embed factual knowledge into continuous vector space and apply geometric operations to learn potential patterns in temporal knowledge graphs. However, these methods only adopt a single operation, which may have limitations in capturing the complex temporal dynamics present in temporal knowledge graphs. Therefore, we propose a simple but effective method, i.e. TCompoundE, which is specially designed with two geometric operations, including time-specific and relation-specific operations. We provide mathematical proofs to demonstrate the ability of TCompoundE to encode various relation patterns. Experimental results show that our proposed model significantly outperforms existing temporal knowledge graph embedding models. Our code is available at https://github.com/nk-ruiying/TCompoundE.
Continual Knowledge Graph Embedding (CKGE) aims to efficiently learn new knowledge and simultaneously preserve old knowledge. Dominant approaches primarily focus on alleviating catastrophic forgetting of old knowledge but neglect efficient learning for the emergence of new knowledge. However, in real-world scenarios, knowledge graphs (KGs) are continuously growing, which brings a significant challenge to fine-tuning KGE models efficiently. To address this issue, we propose a fast CKGE framework (\model), incorporating an incremental low-rank adapter (\mec) mechanism to efficiently acquire new knowledge while preserving old knowledge. Specifically, to mitigate catastrophic forgetting, \model\ isolates and allocates new knowledge to specific layers based on the fine-grained influence between old and new KGs. Subsequently, to accelerate fine-tuning, \model\ devises an efficient \mec\ mechanism, which embeds the specific layers into incremental low-rank adapters with fewer training parameters. Moreover, \mec\ introduces adaptive rank allocation, which makes the LoRA aware of the importance of entities and adjusts its rank scale adaptively. We conduct experiments on four public datasets and two new datasets with a larger initial scale. Experimental results demonstrate that \model\ can reduce training time by 34\%-49\% while still achieving competitive link prediction performance against state-of-the-art models on four public datasets (average MRR score of 21.0\% vs. 21.1\%).Meanwhile, on two newly constructed datasets, \model\ saves 51\%-68\% training time and improves link prediction performance by 1.5\%.
Knowledge Graphs (KGs) are fundamental resources in knowledge-intensive tasks in NLP. Due to the limitation of manually creating KGs, KG Completion (KGC) has an important role in automatically completing KGs by scoring their links with KG Embedding (KGE). To handle many entities in training, KGE relies on Negative Sampling (NS) loss that can reduce the computational cost by sampling. Since the appearance frequencies for each link are at most one in KGs, sparsity is an essential and inevitable problem. The NS loss is no exception. As a solution, the NS loss in KGE relies on smoothing methods like Self-Adversarial Negative Sampling (SANS) and subsampling. However, it is uncertain what kind of smoothing method is suitable for this purpose due to the lack of theoretical understanding. This paper provides theoretical interpretations of the smoothing methods for the NS loss in KGE and induces a new NS loss, Triplet Adaptive Negative Sampling (TANS), that can cover the characteristics of the conventional smoothing methods. Experimental results of TransE, DistMult, ComplEx, RotatE, HAKE, and HousE on FB15k-237, WN18RR, and YAGO3-10 datasets and their sparser subsets show the soundness of our interpretation and performance improvement by our TANS.
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.
Knowledge Graph Embedding (KGE) techniques are crucial in learning compact representations of entities and relations within a knowledge graph, facilitating efficient reasoning and knowledge discovery. While existing methods typically focus either on training KGE models solely based on graph structure or fine-tuning pre-trained language models with classification data in KG, KG-FIT leverages LLM-guided refinement to construct a semantically coherent hierarchical structure of entity clusters. By incorporating this hierarchical knowledge along with textual information during the fine-tuning process, KG-FIT effectively captures both global semantics from the LLM and local semantics from the KG. Extensive experiments on the benchmark datasets FB15K-237, YAGO3-10, and PrimeKG demonstrate the superiority of KG-FIT over state-of-the-art pre-trained language model-based methods, achieving improvements of 14.4%, 13.5%, and 11.9% in the Hits@10 metric for the link prediction task, respectively. Furthermore, KG-FIT yields substantial performance gains of 12.6%, 6.7%, and 17.7% compared to the structure-based base models upon which it is built. These results highlight the effectiveness of KG-FIT in incorporating open-world knowledge from LLMs to significantly enhance the expressiveness and informativeness of KG embeddings.
Recent advances in knowledge graph embedding (KGE) rely on Euclidean/hyperbolic orthogonal relation transformations to model intrinsic logical patterns and topological structures. However, existing approaches are confined to rigid relational orthogonalization with restricted dimension and homogeneous geometry, leading to deficient modeling capability. In this work, we move beyond these approaches in terms of both dimension and geometry by introducing a powerful framework named GoldE, which features a universal orthogonal parameterization based on a generalized form of Householder reflection. Such parameterization can naturally achieve dimensional extension and geometric unification with theoretical guarantees, enabling our framework to simultaneously capture crucial logical patterns and inherent topological heterogeneity of knowledge graphs. Empirically, GoldE achieves state-of-the-art performance on three standard benchmarks. Codes are available at https://github.com/xxrep/GoldE.
Traditional knowledge graph embedding (KGE) methods typically require preserving the entire knowledge graph (KG) with significant training costs when new knowledge emerges. To address this issue, the continual knowledge graph embedding (CKGE) task has been proposed to train the KGE model by learning emerging knowledge efficiently while simultaneously preserving decent old knowledge. However, the explicit graph structure in KGs, which is critical for the above goal, has been heavily ignored by existing CKGE methods. On the one hand, existing methods usually learn new triples in a random order, destroying the inner structure of new KGs. On the other hand, old triples are preserved with equal priority, failing to alleviate catastrophic forgetting effectively. In this paper, we propose a competitive method for CKGE based on incremental distillation (IncDE), which considers the full use of the explicit graph structure in KGs. First, to optimize the learning order, we introduce a hierarchical strategy, ranking new triples for layer-by-layer learning. By employing the inter- and intra-hierarchical orders together, new triples are grouped into layers based on the graph structure features. Secondly, to preserve the old knowledge effectively, we devise a novel incremental distillation mechanism, which facilitates the seamless transfer of entity representations from the previous layer to the next one, promoting old knowledge preservation. Finally, we adopt a two-stage training paradigm to avoid the over-corruption of old knowledge influenced by under-trained new knowledge. Experimental results demonstrate the superiority of IncDE over state-of-the-art baselines. Notably, the incremental distillation mechanism contributes to improvements of 0.2%-6.5% in the mean reciprocal rank (MRR) score.
Causal networks are useful in a wide variety of applications, from medical diagnosis to root-cause analysis in manufacturing. In practice, however, causal networks are often incomplete with missing causal relations. This paper presents a novel approach, called CausalLP, that formulates the issue of incomplete causal networks as a knowledge graph completion problem. More specifically, the task of finding new causal relations in an incomplete causal network is mapped to the task of knowledge graph link prediction. The use of knowledge graphs to represent causal relations enables the integration of external domain knowledge; and as an added complexity, the causal relations have weights representing the strength of the causal association between entities in the knowledge graph. Two primary tasks are supported by CausalLP: causal explanation and causal prediction. An evaluation of this approach uses a benchmark dataset of simulated videos for causal reasoning, CLEVRER-Humans, and compares the performance of multiple knowledge graph embedding algorithms. Two distinct dataset splitting approaches are used for evaluation: (1) random-based split, which is the method typically employed to evaluate link prediction algorithms, and (2) Markov-based split, a novel data split technique that utilizes the Markovian property of causal relations. Results show that using weighted causal relations improves causal link prediction over the baseline without weighted relations.
Distinguished from traditional knowledge graphs (KGs), temporal knowledge graphs (TKGs) must explore and reason over temporally evolving facts adequately. However, existing TKG approaches still face two main challenges, i.e., the limited capability to model arbitrary timestamps continuously and the lack of rich inference patterns under temporal constraints. In this paper, we propose an innovative TKGE method (PTBox) via polynomial decomposition-based temporal representation and box embedding-based entity representation to tackle the above-mentioned problems. Specifically, we decompose time information by polynomials and then enhance the model's capability to represent arbitrary timestamps flexibly by incorporating the learnable temporal basis tensor. In addition, we model every entity as a hyperrectangle box and define each relation as a transformation on the head and tail entity boxes. The entity boxes can capture complex geometric structures and learn robust representations, improving the model's inductive capability for rich inference patterns. Theoretically, our PTBox can encode arbitrary time information or even unseen timestamps while capturing rich inference patterns and higher-arity relations of the knowledge base. Extensive experiments on real-world datasets demonstrate the effectiveness of our method.
Knowledge graphs (KGs), which store an extensive number of relational facts (head, relation, tail), serve various applications. While many downstream tasks highly rely on the expressive modeling and predictive embedding of KGs, most of the current KG representation learning methods, where each entity is embedded as a vector in the Euclidean space and each relation is embedded as a transformation, follow an entity ranking protocol. On one hand, such an embedding design cannot capture many-to-many relations. On the other hand, in many retrieval cases, the users wish to get an exact set of answers without any ranking, especially when the results are expected to be precise, e.g., which genes cause an illness. Such scenarios are commonly referred to as "set retrieval". This work presents a pioneering study on the KG set retrieval problem. We show that the set retrieval highly depends on expressive modeling of many-to-many relations, and propose a new KG embedding model SpherE to address this problem. SpherE is based on rotational embedding methods, but each entity is embedded as a sphere instead of a vector. While inheriting the high interpretability of rotational-based models, our SpherE can more expressively model one-to-many, many-to-one, and many-to-many relations. Through extensive experiments, we show that our SpherE can well address the set retrieval problem while still having a good predictive ability to infer missing facts. The code is available at https://github.com/Violet24K/SpherE.
A Knowledge Graph (KG) is the directed graphical representation of entities and relations in the real world. KG can be applied in diverse Natural Language Processing (NLP) tasks where knowledge is required. The need to scale up and complete KG automatically yields Knowledge Graph Embedding (KGE), a shallow machine learning model that is suffering from memory and training time consumption issues. To mitigate the computational load, we propose a parameter-sharing method, i.e., using conjugate parameters for complex numbers employed in KGE models. Our method improves memory efficiency by 2x in relation embedding while achieving comparable performance to the state-of-the-art non-conjugate models, with faster, or at least comparable, training time. We demonstrated the generalizability of our method on two best-performing KGE models $5^{\bigstar}\mathrm{E}$ and $\mathrm{ComplEx}$ on five benchmark datasets.
Recent studies have highlighted the effectiveness of tensor decomposition methods in the Temporal Knowledge Graphs Embedding (TKGE) task. However, we found that inherent heterogeneity among factor tensors in tensor decomposition significantly hinders the tensor fusion process and further limits the performance of link prediction. To overcome this limitation, we introduce a novel method that maps factor tensors onto a unified smooth Lie group manifold to make the distribution of factor tensors approximating homogeneous in tensor decomposition. We provide the theoretical proof of our motivation that homogeneous tensors are more effective than heterogeneous tensors in tensor fusion and approximating the target for tensor decomposition based TKGE methods. The proposed method can be directly integrated into existing tensor decomposition based TKGE methods without introducing extra parameters. Extensive experiments demonstrate the effectiveness of our method in mitigating the heterogeneity and in enhancing the tensor decomposition based TKGE models.
Predictive process monitoring is a process mining task aimed at forecasting information about a running process trace, such as the most correct next activity to be executed. In medical domains, predictive process monitoring can provide valuable decision support in atypical and nontrivial situations. Decision support and quality assessment in medicine cannot ignore domain knowledge, in order to be grounded on all the available information (which is not limited to data) and to be really acceptable by end users. In this paper, we propose a predictive process monitoring approach relying on the use of a {\em transformer}, a deep learning architecture based on the attention mechanism. A major contribution of our work lies in the incorporation of ontological domain-specific knowledge, carried out through a graph positional encoding technique. The paper presents and discusses the encouraging experimental result we are collecting in the domain of stroke management.