Temporal Knowledge Graphs (TKGs), which utilize quadruples in the form of (subject, predicate, object, timestamp) to describe temporal facts, have attracted extensive attention. N-tuple TKGs (N-TKGs) further extend traditional TKGs by utilizing n-tuples to incorporate auxiliary elements alongside core elements (i.e., subject, predicate, and object) of facts, so as to represent them in a more fine-grained manner. Reasoning over N-TKGs aims to predict potential future facts based on historical ones. However, existing N-TKG reasoning methods often lack explainability due to their black-box nature. Therefore, we introduce a new Reinforcement Learning-based method, named MT-Path, which leverages the temporal information to traverse historical n-tuples and construct a temporal reasoning path. Specifically, in order to integrate the information encapsulated within n-tuples, i.e., the entity-irrelevant information within the predicate, the information about core elements, and the complete information about the entire n-tuples, MT-Path utilizes a mixture policy-driven action selector, which bases on three low-level policies, namely, the predicate-focused policy, the core-element-focused policy and the whole-fact-focused policy. Further, MT-Path utilizes an auxiliary element-aware GCN to capture the rich semantic dependencies among facts, thereby enabling the agent to gain a deep understanding of each n-tuple. Experimental results demonstrate the effectiveness and the explainability of MT-Path.

Geometric embedding methods have shown to be useful for multi-hop reasoning on knowledge graphs by mapping entities and logical operations to geometric regions and geometric transformations, respectively. Geometric embeddings provide direct interpretability framework for queries. However, current methods have only leveraged the geometric construction of entities, failing to map logical operations to geometric transformations and, instead, using neural components to learn these operations. We introduce GeometrE, a geometric embedding method for multi-hop reasoning, which does not require learning the logical operations and enables full geometric interpretability. Additionally, unlike previous methods, we introduce a transitive loss function and show that it can preserve the logical rule $\forall a,b,c: r(a,b) \land r(b,c) \to r(a,c)$. Our experiments show that GeometrE outperforms current state-of-the-art methods on standard benchmark datasets.

Knowledge graphs (KGs) serve as fundamental structures for organizing interconnected data across diverse domains. However, most KGs remain incomplete, limiting their effectiveness in downstream applications. Knowledge graph completion (KGC) aims to address this issue by inferring missing links, but existing methods face critical challenges: deep graph neural networks (GNNs) suffer from over-smoothing, while embedding-based models fail to capture abstract relational features. This study aims to overcome these limitations by proposing a unified framework that integrates GNN distillation and abstract probabilistic interaction modeling (APIM). GNN distillation approach introduces an iterative message-feature filtering process to mitigate over-smoothing, preserving the discriminative power of node representations. APIM module complements this by learning structured, abstract interaction patterns through probabilistic signatures and transition matrices, allowing for a richer, more flexible representation of entity and relation interactions. We apply these methods to GNN-based models and the APIM to embedding-based KGC models, conducting extensive evaluations on the widely used WN18RR and FB15K-237 datasets. Our results demonstrate significant performance gains over baseline models, showcasing the effectiveness of the proposed techniques. The findings highlight the importance of both controlling information propagation and leveraging structured probabilistic modeling, offering new avenues for advancing knowledge graph completion. And our codes are available at https://anonymous.4open.science/r/APIM_and_GNN-Distillation-461C.

Knowledge graphs (KGs) have become an effective paradigm for managing real-world facts, which are not only complex but also dynamically evolve over time. The temporal validity of facts often serves as a strong clue in downstream link prediction tasks, which predicts a missing element in a fact. Traditional link prediction techniques on temporal KGs either consider a sequence of temporal snapshots of KGs with an ad-hoc defined time interval or expand a temporal fact over its validity period under a predefined time granularity; these approaches not only suffer from the sensitivity of the selection of time interval/granularity, but also face the computational challenges when handling facts with long (even infinite) validity. Although the recent hyper-relational KGs represent the temporal validity of a fact as qualifiers describing the fact, it is still suboptimal due to its ignorance of the infinite validity of some facts and the insufficient information encoded from the qualifiers about the temporal validity. Against this background, we propose VITA, a $\underline{V}$ersatile t$\underline{I}$me represen$\underline{TA}$tion learning method for temporal hyper-relational knowledge graphs. We first propose a versatile time representation that can flexibly accommodate all four types of temporal validity of facts (i.e., since, until, period, time-invariant), and then design VITA to effectively learn the time information in both aspects of time value and timespan to boost the link prediction performance. We conduct a thorough evaluation of VITA compared to a sizable collection of baselines on real-world KG datasets. Results show that VITA outperforms the best-performing baselines in various link prediction tasks (predicting missing entities, relations, time, and other numeric literals) by up to 75.3%. Ablation studies and a case study also support our key design choices.

The intrinsic complexity of human biology presents ongoing challenges to scientific understanding. Researchers collaborate across disciplines to expand our knowledge of the biological interactions that define human life. AI methodologies have emerged as powerful tools across scientific domains, particularly in computational biology, where graph data structures effectively model biological entities such as protein-protein interaction (PPI) networks and gene functional networks. Those networks are used as datasets for paramount network medicine tasks, such as gene-disease association prediction, drug repurposing, and polypharmacy side effect studies. Reliable predictions from machine learning models require high-quality foundational data. In this work, we present a comprehensive multi-purpose biological knowledge graph constructed by integrating and refining multiple publicly available datasets. Building upon the Drug Repurposing Knowledge Graph (DRKG), we define a pipeline tasked with a) cleaning inconsistencies and redundancies present in DRKG, b) coalescing information from the main available public data sources, and c) enriching the graph nodes with expressive feature vectors such as molecular fingerprints and gene ontologies. Biologically and chemically relevant features improve the capacity of machine learning models to generate accurate and well-structured embedding spaces. The resulting resource represents a coherent and reliable biological knowledge graph that serves as a state-of-the-art platform to advance research in computational biology and precision medicine. Moreover, it offers the opportunity to benchmark graph-based machine learning and network medicine models on relevant tasks. We demonstrate the effectiveness of the proposed dataset by benchmarking it against the task of drug repurposing, PPI prediction, and side-effect prediction, modeled as link prediction problems.

Outdated facts in temporal knowledge graphs (TKGs) result from exceeding the expiration date of facts, which negatively impact reasoning performance on TKGs. However, existing reasoning methods primarily focus on positive importance of historical facts, neglecting adverse effects of outdated facts. Besides, training on these outdated facts yields extra computational cost. To address these challenges, we propose an outdated fact filtering framework named HALO, which quantifies the temporal validity of historical facts by exploring the half-life theory to filter outdated facts in TKGs. HALO consists of three modules: the temporal fact attention module, the dynamic relation-aware encoder module, and the outdated fact filtering module. Firstly, the temporal fact attention module captures the evolution of historical facts over time to identify relevant facts. Secondly, the dynamic relation-aware encoder module is designed for efficiently predicting the half life of each fact. Finally, we construct a time decay function based on the half-life theory to quantify the temporal validity of facts and filter outdated facts. Experimental results show that HALO outperforms the state-of-the-art TKG reasoning methods on three public datasets, demonstrating its effectiveness in detecting and filtering outdated facts (Codes are available at https://github.com/yushuowiki/K-Half/tree/main ).

Knowledge Graphs (KGs), composed of triples in the form of (head, relation, tail) and consisting of entities and relations, play a key role in information retrieval systems such as question answering, entity search, and recommendation. In real-world KGs, although many entities exist, the relations exhibit a long-tail distribution, which can hinder information retrieval performance. Previous few-shot knowledge graph completion studies focused exclusively on the positive triple information that exists in the graph or, when negative triples were incorporated, used them merely as a signal to indicate incorrect triples. To overcome this limitation, we propose Relation-Based Conditional Diffusion with Attention Pooling (ReCDAP). First, negative triples are generated by randomly replacing the tail entity in the support set. By conditionally incorporating positive information in the KG and non-existent negative information into the diffusion process, the model separately estimates the latent distributions for positive and negative relations. Moreover, including an attention pooler enables the model to leverage the differences between positive and negative cases explicitly. Experiments on two widely used datasets demonstrate that our method outperforms existing approaches, achieving state-of-the-art performance. The code is available at https://github.com/hou27/ReCDAP-FKGC.

Knowledge graphs and structural causal models have each proven valuable for organizing biomedical knowledge and estimating causal effects, but remain largely disconnected: knowledge graphs encode qualitative relationships focusing on facts and deductive reasoning without formal probabilistic semantics, while causal models lack integration with background knowledge in knowledge graphs and have no access to the deductive reasoning capabilities that knowledge graphs provide. To bridge this gap, we introduce a novel formulation of Causal Knowledge Graphs (CKGs) which extend knowledge graphs with formal causal semantics, preserving their deductive capabilities while enabling principled causal inference. CKGs support deconfounding via explicitly marked causal edges and facilitate hypothesis formulation aligned with both encoded and entailed background knowledge. We constructed a Drug-Disease CKG (DD-CKG) integrating disease progression pathways, drug indications, side-effects, and hierarchical disease classification to enable automated large-scale mediation analysis. Applied to UK Biobank and MIMIC-IV cohorts, we tested whether drugs mediate effects between indications and downstream disease progression, adjusting for confounders inferred from the DD-CKG. Our approach successfully reproduced known adverse drug reactions with high precision while identifying previously undocumented significant candidate adverse effects. Further validation through side effect similarity analysis demonstrated that combining our predicted drug effects with established databases significantly improves the prediction of shared drug indications, supporting the clinical relevance of our novel findings. These results demonstrate that our methodology provides a generalizable, knowledge-driven framework for scalable causal inference.

Many knowledge graphs contain a substantial number of spatial entities, such as cities, buildings, and natural landmarks. For many of these entities, exact geometries are stored within the knowledge graphs. However, most existing approaches for learning entity representations do not take these geometries into account. In this paper, we introduce a variant of RDF2Vec that incorporates geometric information to learn location-aware embeddings of entities. Our approach expands different nodes by flooding the graph from geographic nodes, ensuring that each reachable node is considered. Based on the resulting flooded graph, we apply a modified version of RDF2Vec that biases graph walks using spatial weights. Through evaluations on multiple benchmark datasets, we demonstrate that our approach outperforms both non-location-aware RDF2Vec and GeoTransE.

Reasoning over Knowledge Graphs (KGs) plays a pivotal role in knowledge graph completion or question answering systems, providing richer and more accurate triples and attributes. As numerical attributes become increasingly essential in characterizing entities and relations in KGs, the ability to reason over these attributes has gained significant importance. Existing graph-based methods such as Graph Neural Networks (GNNs) and Knowledge Graph Embeddings (KGEs), primarily focus on aggregating homogeneous local neighbors and implicitly embedding diverse triples. However, these approaches often fail to fully leverage the potential of logical paths within the graph, limiting their effectiveness in exploiting the reasoning process. To address these limitations, we propose ChainsFormer, a novel chain-based framework designed to support numerical reasoning. Chainsformer not only explicitly constructs logical chains but also expands the reasoning depth to multiple hops. Specially, we introduces Relation-Attribute Chains (RA-Chains), a specialized logic chain, to model sequential reasoning patterns. ChainsFormer captures the step-by-step nature of multi-hop reasoning along RA-Chains by employing sequential in-context learning. To mitigate the impact of noisy chains, we propose a hyperbolic affinity scoring mechanism that selects relevant logic chains in a variable-resolution space. Furthermore, ChainsFormer incorporates an attention-based numerical reasoner to identify critical reasoning paths, enhancing both reasoning accuracy and transparency. Experimental results demonstrate that ChainsFormer significantly outperforms state-of-the-art methods, achieving up to a 20.0% improvement in performance. The implementations are available at https://github.com/zhaodazhuang2333/ChainsFormer.