Evgeny Kharlamov

Xiao Liu, Haoyun Hong, Xinghao Wang et al. · tsinghua

Entity alignment, aiming to identify equivalent entities across different knowledge graphs (KGs), is a fundamental problem for constructing Web-scale KGs. Over the course of its development, the label supervision has been considered necessary for accurate alignments. Inspired by the recent progress of self-supervised learning, we explore the extent to which we can get rid of supervision for entity alignment. Commonly, the label information (positive entity pairs) is used to supervise the process of pulling the aligned entities in each positive pair closer. However, our theoretical analysis suggests that the learning of entity alignment can actually benefit more from pushing unlabeled negative pairs far away from each other than pulling labeled positive pairs close. By leveraging this discovery, we develop the self-supervised learning objective for entity alignment. We present SelfKG with efficient strategies to optimize this objective for aligning entities without label supervision. Extensive experiments on benchmark datasets demonstrate that SelfKG without supervision can match or achieve comparable results with state-of-the-art supervised baselines. The performance of SelfKG suggests that self-supervised learning offers great potential for entity alignment in KGs. The code and data are available at https://github.com/THUDM/SelfKG.

Zhenyu Hou, Yufei He, Yukuo Cen et al. · tsinghua

Graph self-supervised learning (SSL), including contrastive and generative approaches, offers great potential to address the fundamental challenge of label scarcity in real-world graph data. Among both sets of graph SSL techniques, the masked graph autoencoders (e.g., GraphMAE)--one type of generative method--have recently produced promising results. The idea behind this is to reconstruct the node features (or structures)--that are randomly masked from the input--with the autoencoder architecture. However, the performance of masked feature reconstruction naturally relies on the discriminability of the input features and is usually vulnerable to disturbance in the features. In this paper, we present a masked self-supervised learning framework GraphMAE2 with the goal of overcoming this issue. The idea is to impose regularization on feature reconstruction for graph SSL. Specifically, we design the strategies of multi-view random re-mask decoding and latent representation prediction to regularize the feature reconstruction. The multi-view random re-mask decoding is to introduce randomness into reconstruction in the feature space, while the latent representation prediction is to enforce the reconstruction in the embedding space. Extensive experiments show that GraphMAE2 can consistently generate top results on various public datasets, including at least 2.45% improvements over state-of-the-art baselines on ogbn-Papers100M with 111M nodes and 1.6B edges.

Huanjing Zhao, Beining Yang, Yukuo Cen et al. · tsinghua

The text-attributed graph (TAG) is one kind of important real-world graph-structured data with each node associated with raw texts. For TAGs, traditional few-shot node classification methods directly conduct training on the pre-processed node features and do not consider the raw texts. The performance is highly dependent on the choice of the feature pre-processing method. In this paper, we propose P2TAG, a framework designed for few-shot node classification on TAGs with graph pre-training and prompting. P2TAG first pre-trains the language model (LM) and graph neural network (GNN) on TAGs with self-supervised loss. To fully utilize the ability of language models, we adapt the masked language modeling objective for our framework. The pre-trained model is then used for the few-shot node classification with a mixed prompt method, which simultaneously considers both text and graph information. We conduct experiments on six real-world TAGs, including paper citation networks and product co-purchasing networks. Experimental results demonstrate that our proposed framework outperforms existing graph few-shot learning methods on these datasets with +18.98% ~ +35.98% improvements.

Dongzhuoran Zhou, Baifan Zhou, Jieying Chen et al. · oxford

Knowledge graphs (KG) are used in a wide range of applications. The automation of KG generation is very desired due to the data volume and variety in industries. One important approach of KG generation is to map the raw data to a given KG schema, namely a domain ontology, and construct the entities and properties according to the ontology. However, the automatic generation of such ontology is demanding and existing solutions are often not satisfactory. An important challenge is a trade-off between two principles of ontology engineering: knowledge-orientation and data-orientation. The former one prescribes that an ontology should model the general knowledge of a domain, while the latter one emphasises on reflecting the data specificities to ensure good usability. We address this challenge by our method of ontology reshaping, which automates the process of converting a given domain ontology to a smaller ontology that serves as the KG schema. The domain ontology can be designed to be knowledge-oriented and the KG schema covers the data specificities. In addition, our approach allows the option of including user preferences in the loop. We demonstrate our on-going research on ontology reshaping and present an evaluation using real industrial data, with promising results.

Wenzheng Feng, Yuxiao Dong, Tinglin Huang et al.

Graph neural networks (GNNs) have been widely adopted for semi-supervised learning on graphs. A recent study shows that the graph random neural network (GRAND) model can generate state-of-the-art performance for this problem. However, it is difficult for GRAND to handle large-scale graphs since its effectiveness relies on computationally expensive data augmentation procedures. In this work, we present a scalable and high-performance GNN framework GRAND+ for semi-supervised graph learning. To address the above issue, we develop a generalized forward push (GFPush) algorithm in GRAND+ to pre-compute a general propagation matrix and employ it to perform graph data augmentation in a mini-batch manner. We show that both the low time and space complexities of GFPush enable GRAND+ to efficiently scale to large graphs. Furthermore, we introduce a confidence-aware consistency loss into the model optimization of GRAND+, facilitating GRAND+'s generalization superiority. We conduct extensive experiments on seven public datasets of different sizes. The results demonstrate that GRAND+ 1) is able to scale to large graphs and costs less running time than existing scalable GNNs, and 2) can offer consistent accuracy improvements over both full-batch and scalable GNNs across all datasets.

Dongzhuoran Zhou, Hui Yang, Bo Xiong et al.

Graph neural networks (GNNs) have achieved significant success in various applications. Most GNNs learn the node features with information aggregation of its neighbors and feature transformation in each layer. However, the node features become indistinguishable after many layers, leading to performance deterioration: a significant limitation known as over-smoothing. Past work adopted various techniques for addressing this issue, such as normalization and skip-connection of layer-wise output. After the study, we found that the information aggregations in existing work are all contracted aggregations, with the intrinsic property that features will inevitably converge to the same single point after many layers. To this end, we propose the aggregation over compacted manifolds method (ACM) that replaces the existing information aggregation with aggregation over compact manifolds, a special type of manifold, which avoids contracted aggregations. In this work, we theoretically analyze contracted aggregation and its properties. We also provide an extensive empirical evaluation that shows ACM can effectively alleviate over-smoothing and outperforms the state-of-the-art. The code can be found in https://github.com/DongzhuoranZhou/ACM.git.

Zhipeng Tan, Baifan Zhou, Zhuoxun Zheng et al.

Recently there has been a series of studies in knowledge graph embedding (KGE), which attempts to learn the embeddings of the entities and relations as numerical vectors and mathematical mappings via machine learning (ML). However, there has been limited research that applies KGE for industrial problems in manufacturing. This paper investigates whether and to what extent KGE can be used for an important problem: quality monitoring for welding in manufacturing industry, which is an impactful process accounting for production of millions of cars annually. The work is in line with Bosch research of data-driven solutions that intends to replace the traditional way of destroying cars, which is extremely costly and produces waste. The paper tackles two very challenging questions simultaneously: how large the welding spot diameter is; and to which car body the welded spot belongs to. The problem setting is difficult for traditional ML because there exist a high number of car bodies that should be assigned as class labels. We formulate the problem as link prediction, and experimented popular KGE methods on real industry data, with consideration of literals. Our results reveal both limitations and promising aspects of adapted KGE methods.

Baifan Zhou, Nikolay Nikolov, Zhuoxun Zheng et al.

Industry 4.0 and Internet of Things (IoT) technologies unlock unprecedented amount of data from factory production, posing big data challenges in volume and variety. In that context, distributed computing solutions such as cloud systems are leveraged to parallelise the data processing and reduce computation time. As the cloud systems become increasingly popular, there is increased demand that more users that were originally not cloud experts (such as data scientists, domain experts) deploy their solutions on the cloud systems. However, it is non-trivial to address both the high demand for cloud system users and the excessive time required to train them. To this end, we propose SemCloud, a semantics-enhanced cloud system, that couples cloud system with semantic technologies and machine learning. SemCloud relies on domain ontologies and mappings for data integration, and parallelises the semantic data integration and data analysis on distributed computing nodes. Furthermore, SemCloud adopts adaptive Datalog rules and machine learning for automated resource configuration, allowing non-cloud experts to use the cloud system. The system has been evaluated in industrial use case with millions of data, thousands of repeated runs, and domain users, showing promising results.

Yunjie He, Mojtaba Nayyeri, Bo Xiong et al.

Answering first-order logical (FOL) queries over knowledge graphs (KG) remains a challenging task mainly due to KG incompleteness. Query embedding approaches this problem by computing the low-dimensional vector representations of entities, relations, and logical queries. KGs exhibit relational patterns such as symmetry and composition and modeling the patterns can further enhance the performance of query embedding models. However, the role of such patterns in answering FOL queries by query embedding models has not been yet studied in the literature. In this paper, we fill in this research gap and empower FOL queries reasoning with pattern inference by introducing an inductive bias that allows for learning relation patterns. To this end, we develop a novel query embedding method, RoConE, that defines query regions as geometric cones and algebraic query operators by rotations in complex space. RoConE combines the advantages of Cone as a well-specified geometric representation for query embedding, and also the rotation operator as a powerful algebraic operation for pattern inference. Our experimental results on several benchmark datasets confirm the advantage of relational patterns for enhancing logical query answering task.

Yuqicheng Zhu, Nico Potyka, Mojtaba Nayyeri et al.

Knowledge graph embedding (KGE) models are often used to predict missing links for knowledge graphs (KGs). However, multiple KG embeddings can perform almost equally well for link prediction yet give conflicting predictions for unseen queries. This phenomenon is termed \textit{predictive multiplicity} in the literature. It poses substantial risks for KGE-based applications in high-stake domains but has been overlooked in KGE research. We define predictive multiplicity in link prediction, introduce evaluation metrics and measure predictive multiplicity for representative KGE methods on commonly used benchmark datasets. Our empirical study reveals significant predictive multiplicity in link prediction, with $8\%$ to $39\%$ testing queries exhibiting conflicting predictions. We address this issue by leveraging voting methods from social choice theory, significantly mitigating conflicts by $66\%$ to $78\%$ in our experiments.

Dongzhuoran Zhou, Yuqicheng Zhu, Xiaxia Wang et al. · oxford

Large language models (LLMs) achieve strong results on knowledge graph question answering (KGQA), but most benchmarks assume complete knowledge graphs (KGs) where direct supporting triples exist. This reduces evaluation to shallow retrieval and overlooks the reality of incomplete KGs, where many facts are missing and answers must be inferred from existing facts. We bridge this gap by proposing a methodology for constructing benchmarks under KG incompleteness, which removes direct supporting triples while ensuring that alternative reasoning paths required to infer the answer remain. Experiments on benchmarks constructed using our methodology show that existing methods suffer consistent performance degradation under incompleteness, highlighting their limited reasoning ability. To overcome this limitation, we present the Adaptive Graph Reasoning Agent (GR-Agent). It first constructs an interactive environment from the KG, and then formalizes KGQA as agent environment interaction within this environment. GR-Agent operates over an action space comprising graph reasoning tools and maintains a memory of potential supporting reasoning evidence, including relevant relations and reasoning paths. Extensive experiments demonstrate that GR-Agent outperforms non-training baselines and performs comparably to training-based methods under both complete and incomplete settings.

Yunjie He, Daniel Hernandez, Mojtaba Nayyeri et al.

Query embedding approaches answer complex logical queries over incomplete knowledge graphs (KGs) by computing and operating on low-dimensional vector representations of entities, relations, and queries. However, current query embedding models heavily rely on excessively parameterized neural networks and cannot explain the knowledge learned from the graph. We propose a novel query embedding method, AConE, which explains the knowledge learned from the graph in the form of $SROI^-$ description logic axioms while being more parameter-efficient than most existing approaches. AConE associates queries to a $SROI^-$ description logic concept. Every $SROI^-$ concept is embedded as a cone in complex vector space, and each $SROI^-$ relation is embedded as a transformation that rotates and scales cones. We show theoretically that AConE can learn $SROI^-$ axioms, and defines an algebra whose operations correspond one to one to $SROI^-$ description logic concept constructs. Our empirical study on multiple query datasets shows that AConE achieves superior results over previous baselines with fewer parameters. Notably on the WN18RR dataset, AConE achieves significant improvement over baseline models. We provide comprehensive analyses showing that the capability to represent axioms positively impacts the results of query answering.

Yuqicheng Zhu, Nico Potyka, Bo Xiong et al.

Statistical information is ubiquitous but drawing valid conclusions from it is prohibitively hard. We explain how knowledge graph embeddings can be used to approximate probabilistic inference efficiently using the example of Statistical EL (SEL), a statistical extension of the lightweight Description Logic EL. We provide proofs for runtime and soundness guarantees, and empirically evaluate the runtime and approximation quality of our approach.

Yuqicheng Zhu, Nico Potyka, Jiarong Pan et al.

Knowledge graph embeddings (KGE) apply machine learning methods on knowledge graphs (KGs) to provide non-classical reasoning capabilities based on similarities and analogies. The learned KG embeddings are typically used to answer queries by ranking all potential answers, but rankings often lack a meaningful probabilistic interpretation - lower-ranked answers do not necessarily have a lower probability of being true. This limitation makes it difficult to quantify uncertainty of model's predictions, posing challenges for the application of KGE methods in high-stakes domains like medicine. We address this issue by applying the theory of conformal prediction that allows generating answer sets, which contain the correct answer with probabilistic guarantees. We explain how conformal prediction can be used to generate such answer sets for link prediction tasks. Our empirical evaluation on four benchmark datasets using six representative KGE methods validates that the generated answer sets satisfy the probabilistic guarantees given by the theory of conformal prediction. We also demonstrate that the generated answer sets often have a sensible size and that the size adapts well with respect to the difficulty of the query.

Luu Huu Phuc, Ratan Bahadur Thapa, Mojtaba Nayyeri et al.

We introduce Graph-Augmented Sequence-to-Sequence (GA-S2S), a novel framework that integrates a T5-small encoder-decoder with a Relational Graph Attention Network (RGAT) to improve link prediction in knowledge graphs. While existing Seq2Seq models rely solely on surface-level textual descriptions of entities and relations and at best, flatten the neighborhoods of a query entity into a single linear sequence, thereby discarding the inherent graph structure, GA-S2S jointly encodes both textual features and the full $k$-hop subgraph topology surrounding the query entity. By integrating raw encoder outputs with RGAT's relation-aware embeddings, our model captures and leverages richer multi-hop relational patterns and textual information. Our preliminary experiments on the CoDEx dataset demonstrate that GA-S2S outperforms competitive Seq2Seq-based baseline models, achieving up to a 19\% relative gain in link prediction accuracy.

Antonis Klironomos, Ioannis Dasoulas, Francesco Periti et al.

The vast collection of machine learning records available on the web presents a significant opportunity for meta-learning, where past experiments are leveraged to improve performance. Two crucial meta-learning tasks are pipeline performance estimation (PPE), which predicts pipeline performance on target datasets, and dataset performance-based similarity estimation (DPSE), which identifies datasets with similar performance patterns. Existing approaches primarily rely on dataset meta-features (e.g., number of instances, class entropy, etc.) to represent datasets numerically and approximate these meta-learning tasks. However, these approaches often overlook the wealth of past experimental results and pipeline metadata available. This limits their ability to capture dataset - pipeline interactions that reveal performance similarity patterns. In this work, we propose KGmetaSP, a knowledge-graph-embeddings approach that leverages existing experiment data to capture these interactions and improve both PPE and DPSE. We represent datasets and pipelines within a unified knowledge graph (KG) and derive embeddings that support pipeline-agnostic meta-models for PPE and distance-based retrieval for DPSE. To validate our approach, we construct a large-scale benchmark comprising 144,177 OpenML experiments, enabling a rich cross-dataset evaluation. KGmetaSP enables accurate PPE using a single pipeline-agnostic meta-model and improves DPSE over baselines. The proposed KGmetaSP, KG, and benchmark are released, establishing a new reference point for meta-learning and demonstrating how consolidating open experiment data into a unified KG advances the field.

Wei Wang, Fuqing Bie, Junzhe Chen et al.

Complex games have long been an important benchmark for testing the progress of artificial intelligence algorithms. AlphaGo, AlphaZero, and MuZero have defeated top human players in Go and Chess, garnering widespread societal attention towards artificial intelligence. Concurrently, large language models (LLMs) have exhibited remarkable capabilities across various tasks, raising the question of whether LLMs can achieve similar success in complex games. In this paper, we explore the potential of LLMs in mastering complex card games. We systematically assess the learning capabilities of LLMs across eight diverse card games, evaluating the impact of fine-tuning on high-quality gameplay data, and examining the models' ability to retain general capabilities while mastering these games. Our findings indicate that: (1) LLMs can approach the performance of strong game AIs through supervised fine-tuning on high-quality data, (2) LLMs can achieve a certain level of proficiency in multiple complex card games simultaneously, with performance augmentation for games with similar rules and conflicts for dissimilar ones, and (3) LLMs experience a decline in general capabilities when mastering complex games, but this decline can be mitigated by integrating a certain amount of general instruction data. The evaluation results demonstrate strong learning ability and versatility of LLMs. The code is available at https://github.com/THUDM/LLM4CardGame

Wenzheng Feng, Jie Zhang, Yuxiao Dong et al.

We study the problem of semi-supervised learning on graphs, for which graph neural networks (GNNs) have been extensively explored. However, most existing GNNs inherently suffer from the limitations of over-smoothing, non-robustness, and weak-generalization when labeled nodes are scarce. In this paper, we propose a simple yet effective framework -- GRAPH RANDOM NEURAL NETWORKS (GRAND) -- to address these issues. In GRAND, we first design a random propagation strategy to perform graph data augmentation. Then we leverage consistency regularization to optimize the prediction consistency of unlabeled nodes across different data augmentations. Extensive experiments on graph benchmark datasets suggest that GRAND significantly outperforms state-of-the-art GNN baselines on semi-supervised node classification. Finally, we show that GRAND mitigates the issues of over-smoothing and non-robustness, exhibiting better generalization behavior than existing GNNs. The source code of GRAND is publicly available at https://github.com/Grand20/grand.

Nico Potyka, Yuqicheng Zhu, Yunjie He et al.

Large-language models (LLMs) can support a wide range of applications like conversational agents, creative writing or general query answering. However, they are ill-suited for query answering in high-stake domains like medicine because they are typically not robust - even the same query can result in different answers when prompted multiple times. In order to improve the robustness of LLM queries, we propose using ranking queries repeatedly and to aggregate the queries using methods from social choice theory. We study ranking queries in diagnostic settings like medical and fault diagnosis and discuss how the Partial Borda Choice function from the literature can be applied to merge multiple query results. We discuss some additional interesting properties in our setting and evaluate the robustness of our approach empirically.

Yunjie He, Bo Xiong, Daniel Hernández et al.

Predicting answers to queries over knowledge graphs is called a complex reasoning task because answering a query requires subdividing it into subqueries. Existing query embedding methods use this decomposition to compute the embedding of a query as the combination of the embedding of the subqueries. This requirement limits the answerable queries to queries having a single free variable and being decomposable, which are called tree-form queries and correspond to the $\mathcal{SROI}^-$ description logic. In this paper, we define a more general set of queries, called DAG queries and formulated in the $\mathcal{ALCOIR}$ description logic, propose a query embedding method for them, called DAGE, and a new benchmark to evaluate query embeddings on them. Given the computational graph of a DAG query, DAGE combines the possibly multiple paths between two nodes into a single path with a trainable operator that represents the intersection of relations and learns DAG-DL from tautologies. We show that it is possible to implement DAGE on top of existing query embedding methods, and we empirically measure the improvement of our method over the results of vanilla methods evaluated in tree-form queries that approximate the DAG queries of our proposed benchmark.

Dongzhuoran Zhou, Yuqicheng Zhu, Xiaxia Wang et al. · oxford

Knowledge Graph based Retrieval-Augmented Generation (KG-RAG) is a technique that enhances Large Language Model (LLM) inference in tasks like Question Answering (QA) by retrieving relevant information from knowledge graphs (KGs). However, real-world KGs are often incomplete, meaning that essential information for answering questions may be missing. Existing benchmarks do not adequately capture the impact of KG incompleteness on KG-RAG performance. In this paper, we systematically evaluate KG-RAG methods under incomplete KGs by removing triples using different methods and analyzing the resulting effects. We demonstrate that KG-RAG methods are sensitive to KG incompleteness, highlighting the need for more robust approaches in realistic settings.

Yuqicheng Zhu, Nico Potyka, Daniel Hernández et al.

Retrieval-Augmented Generation (RAG) enhances large language models by incorporating external knowledge, yet suffers from critical limitations in high-stakes domains -- namely, sensitivity to noisy or contradictory evidence and opaque, stochastic decision-making. We propose ArgRAG, an explainable, and contestable alternative that replaces black-box reasoning with structured inference using a Quantitative Bipolar Argumentation Framework (QBAF). ArgRAG constructs a QBAF from retrieved documents and performs deterministic reasoning under gradual semantics. This allows faithfully explaining and contesting decisions. Evaluated on two fact verification benchmarks, PubHealth and RAGuard, ArgRAG achieves strong accuracy while significantly improving transparency.

Dongzhuoran Zhou, Yuqicheng Zhu, Xiaxia Wang et al. · oxford

Knowledge Graph-based Retrieval-Augmented Generation (KG-RAG) is an increasingly explored approach for combining the reasoning capabilities of large language models with the structured evidence of knowledge graphs. However, current evaluation practices fall short: existing benchmarks often include questions that can be directly answered using existing triples in KG, making it unclear whether models perform reasoning or simply retrieve answers directly. Moreover, inconsistent evaluation metrics and lenient answer matching criteria further obscure meaningful comparisons. In this work, we introduce a general method for constructing benchmarks, together with an evaluation protocol, to systematically assess KG-RAG methods under knowledge incompleteness. Our empirical results show that current KG-RAG methods have limited reasoning ability under missing knowledge, often rely on internal memorization, and exhibit varying degrees of generalization depending on their design.

Yuqicheng Zhu, Daniel Hernández, Yuan He et al.

Uncertainty quantification in Knowledge Graph Embedding (KGE) methods is crucial for ensuring the reliability of downstream applications. A recent work applies conformal prediction to KGE methods, providing uncertainty estimates by generating a set of answers that is guaranteed to include the true answer with a predefined confidence level. However, existing methods provide probabilistic guarantees averaged over a reference set of queries and answers (marginal coverage guarantee). In high-stakes applications such as medical diagnosis, a stronger guarantee is often required: the predicted sets must provide consistent coverage per query (conditional coverage guarantee). We propose CondKGCP, a novel method that approximates predicate-conditional coverage guarantees while maintaining compact prediction sets. CondKGCP merges predicates with similar vector representations and augments calibration with rank information. We prove the theoretical guarantees and demonstrate empirical effectiveness of CondKGCP by comprehensive evaluations.

Yuqicheng Zhu, Jingcheng Wu, Yizhen Wang et al.

Uncertain knowledge graph embedding (UnKGE) methods learn vector representations that capture both structural and uncertainty information to predict scores of unseen triples. However, existing methods produce only point estimates, without quantifying predictive uncertainty-limiting their reliability in high-stakes applications where understanding confidence in predictions is crucial. To address this limitation, we propose \textsc{UnKGCP}, a framework that generates prediction intervals guaranteed to contain the true score with a user-specified level of confidence. The length of the intervals reflects the model's predictive uncertainty. \textsc{UnKGCP} builds on the conformal prediction framework but introduces a novel nonconformity measure tailored to UnKGE methods and an efficient procedure for interval construction. We provide theoretical guarantees for the intervals and empirically verify these guarantees. Extensive experiments on standard benchmarks across diverse UnKGE methods further demonstrate that the intervals are sharp and effectively capture predictive uncertainty.

Antonis Klironomos, Baifan Zhou, Zhipeng Tan et al.

Nowadays machine learning (ML) practitioners have access to numerous ML libraries available online. Such libraries can be used to create ML pipelines that consist of a series of steps where each step may invoke up to several ML libraries that are used for various data-driven analytical tasks. Development of high-quality ML pipelines is non-trivial; it requires training, ML expertise, and careful development of each step. At the same time, domain experts in science and engineering may not possess such ML expertise and training while they are in pressing need of ML-based analytics. In this paper, we present our ExeKGLib, a Python library enhanced with a graphical interface layer that allows users with minimal ML knowledge to build ML pipelines. This is achieved by relying on knowledge graphs that encode ML knowledge in simple terms accessible to non-ML experts. ExeKGLib also allows improving the transparency and reusability of the built ML workflows and ensures that they are executable. We show the usability and usefulness of ExeKGLib by presenting real use cases.

Antonis Klironomos, Baifan Zhou, Zhuoxun Zheng et al.

Most knowledge graph embedding (KGE) methods tailored for link prediction focus on the entities and relations in the graph, giving little attention to other literal values, which might encode important information. Therefore, some literal-aware KGE models attempt to either integrate numerical values into the embeddings of the entities or convert these numerics into entities during preprocessing, leading to information loss. Other methods concerned with creating relation-specific numerical features assume completeness of numerical data, which does not apply to real-world graphs. In this work, we propose ReaLitE, a novel relation-centric KGE model that dynamically aggregates and merges entities' numerical attributes with the embeddings of the connecting relations. ReaLitE is designed to complement existing conventional KGE methods while supporting multiple variations for numerical aggregations, including a learnable method. We comprehensively evaluated the proposed relation-centric embedding using several benchmarks for link prediction and node classification tasks. The results showed the superiority of ReaLitE over the state of the art in both tasks.

Yunhe Pang, Bo Chen, Fanjin Zhang et al.

Anomaly detection on text-rich graphs is widely prevalent in real life, such as detecting incorrectly assigned academic papers to authors and detecting bots in social networks. The remarkable capabilities of large language models (LLMs) pave a new revenue by utilizing rich-text information for effective anomaly detection. However, simply introducing rich texts into LLMs can obscure essential detection cues and introduce high fine-tuning costs. Moreover, LLMs often overlook the intrinsic structural bias of graphs which is vital for distinguishing normal from abnormal node patterns. To this end, this paper introduces GuARD, a text-rich and graph-informed language model that combines key structural features from graph-based methods with fine-grained semantic attributes extracted via small language models for effective anomaly detection on text-rich graphs. GuARD is optimized with the progressive multi-modal multi-turn instruction tuning framework in the task-guided instruction tuning regime tailed to incorporate both rich-text and structural modalities. Extensive experiments on four datasets reveal that GuARD outperforms graph-based and LLM-based anomaly detection methods, while offering up to 5$\times$ times speedup in training and 5$\times$ times speedup in inference over vanilla long-context LLMs on the large-scale WhoIsWho dataset.

Antonis Klironomos, Baifan Zhou, Zhipeng Tan et al.

Many machine learning (ML) libraries are accessible online for ML practitioners. Typical ML pipelines are complex and consist of a series of steps, each of them invoking several ML libraries. In this demo paper, we present ExeKGLib, a Python library that allows users with coding skills and minimal ML knowledge to build ML pipelines. ExeKGLib relies on knowledge graphs to improve the transparency and reusability of the built ML workflows, and to ensure that they are executable. We demonstrate the usage of ExeKGLib and compare it with conventional ML code to show its benefits.

Martin Ringsquandl, Evgeny Kharlamov, Daria Stepanova et al.

Smart factories are equipped with machines that can sense their manufacturing environments, interact with each other, and control production processes. Smooth operation of such factories requires that the machines and engineering personnel that conduct their monitoring and diagnostics share a detailed common industrial knowledge about the factory, e.g., in the form of knowledge graphs. Creation and maintenance of such knowledge is expensive and requires automation. In this work we show how machine learning that is specifically tailored towards industrial applications can help in knowledge graph completion. In particular, we show how knowledge completion can benefit from event logs that are common in smart factories. We evaluate this on the knowledge graph from a real world-inspired smart factory with encouraging results.

Bo Chen, Jing Zhang, Xiaokang Zhang et al.

Graph-based anomaly detection has been widely used for detecting malicious activities in real-world applications. Existing attempts to address this problem have thus far focused on structural feature engineering or learning in the binary classification regime. In this work, we propose to leverage graph contrastive coding and present the supervised GraphCAD model for contrasting abnormal nodes with normal ones in terms of their distances to the global context (e.g., the average of all nodes). To handle scenarios with scarce labels, we further enable GraphCAD as a self-supervised framework by designing a graph corrupting strategy for generating synthetic node labels. To achieve the contrastive objective, we design a graph neural network encoder that can infer and further remove suspicious links during message passing, as well as learn the global context of the input graph. We conduct extensive experiments on four public datasets, demonstrating that 1) GraphCAD significantly and consistently outperforms various advanced baselines and 2) its self-supervised version without fine-tuning can achieve comparable performance with its fully supervised version.

Xiao Liu, Haoyun Hong, Xinghao Wang et al.

Entity alignment, aiming to identify equivalent entities across different knowledge graphs (KGs), is a fundamental problem for constructing large-scale KGs. Over the course of its development, supervision has been considered necessary for accurate alignments. Inspired by the recent progress of self-supervised learning, we explore the extent to which we can get rid of supervision for entity alignment. Existing supervised methods for this task focus on pulling each pair of positive (labeled) entities close to each other. However, our analysis suggests that the learning of entity alignment can actually benefit more from pushing sampled (unlabeled) negatives far away than pulling positive aligned pairs close. We present SelfKG by leveraging this discovery to design a contrastive learning strategy across two KGs. Extensive experiments on benchmark datasets demonstrate that SelfKG without supervision can match or achieve comparable results with state-of-the-art supervised baselines. The performance of SelfKG demonstrates self-supervised learning offers great potential for entity alignment in KGs.

Xu Zou, Qinkai Zheng, Yuxiao Dong et al.

Graph Neural Networks (GNNs) have achieved promising performance in various real-world applications. However, recent studies have shown that GNNs are vulnerable to adversarial attacks. In this paper, we study a recently-introduced realistic attack scenario on graphs -- graph injection attack (GIA). In the GIA scenario, the adversary is not able to modify the existing link structure and node attributes of the input graph, instead the attack is performed by injecting adversarial nodes into it. We present an analysis on the topological vulnerability of GNNs under GIA setting, based on which we propose the Topological Defective Graph Injection Attack (TDGIA) for effective injection attacks. TDGIA first introduces the topological defective edge selection strategy to choose the original nodes for connecting with the injected ones. It then designs the smooth feature optimization objective to generate the features for the injected nodes. Extensive experiments on large-scale datasets show that TDGIA can consistently and significantly outperform various attack baselines in attacking dozens of defense GNN models. Notably, the performance drop on target GNNs resultant from TDGIA is more than double the damage brought by the best attack solution among hundreds of submissions on KDD-CUP 2020.

Shuxin Li, Zixian Huang, Gong Cheng et al.

A prominent application of knowledge graph (KG) is document enrichment. Existing methods identify mentions of entities in a background KG and enrich documents with entity types and direct relations. We compute an entity relation subgraph (ERG) that can more expressively represent indirect relations among a set of mentioned entities. To find compact, representative, and relevant ERGs for effective enrichment, we propose an efficient best-first search algorithm to solve a new combinatorial optimization problem that achieves a trade-off between representativeness and compactness, and then we exploit ontological knowledge to rank ERGs by entity-based document-KG and intra-KG relevance. Extensive experiments and user studies show the promising performance of our approach.

Junyou Li, Gong Cheng, Qingxia Liu et al.

In a large-scale knowledge graph (KG), an entity is often described by a large number of triple-structured facts. Many applications require abridged versions of entity descriptions, called entity summaries. Existing solutions to entity summarization are mainly unsupervised. In this paper, we present a supervised approach NEST that is based on our novel neural model to jointly encode graph structure and text in KGs and generate high-quality diversified summaries. Since it is costly to obtain manually labeled summaries for training, our supervision is weak as we train with programmatically labeled data which may contain noise but is free of manual work. Evaluation results show that our approach significantly outperforms the state of the art on two public benchmarks.

Dmitriy Zheleznyakov, Evgeny Kharlamov, Werner Nutt et al.

Knowledge bases (KBs) are not static entities: new information constantly appears and some of the previous knowledge becomes obsolete. In order to reflect this evolution of knowledge, KBs should be expanded with the new knowledge and contracted from the obsolete one. This problem is well-studied for propositional but much less for first-order KBs. In this work we investigate knowledge expansion and contraction for KBs expressed in DL-Lite, a family of description logics (DLs) that underlie the tractable fragment OWL 2 QL of the Web Ontology Language OWL 2. We start with a novel knowledge evolution framework and natural postulates that evolution should respect, and compare our postulates to the well-established AGM postulates. We then review well-known model and formula-based approaches for expansion and contraction for propositional theories and show how they can be adapted to the case of DL-Lite. In particular, we show intrinsic limitations of model-based approaches: besides the fact that some of them do not respect the postulates we have established, they ignore the structural properties of KBs. This leads to undesired properties of evolution results: evolution of DL-Lite KBs cannot be captured in DL-Lite. Moreover, we show that well-known formula-based approaches are also not appropriate for DL-Lite expansion and contraction: they either have a high complexity of computation, or they produce logical theories that cannot be expressed in DL-Lite. Thus, we propose a novel formula-based approach that respects our principles and for which evolution is expressible in DL-Lite. For this approach we also propose polynomial time deterministic algorithms to compute evolution of DL-Lite KBs when evolution affects only factual data.

Henrik Forssell, Evgeny Kharlamov, Evgenij Thorstensen

Data exchange heavily relies on the notion of incomplete database instances. Several semantics for such instances have been proposed and include open (OWA), closed (CWA), and open-closed (OCWA) world. For all these semantics important questions are: whether one incomplete instance semantically implies another; when two are semantically equivalent; and whether a smaller or smallest semantically equivalent instance exists. For OWA and CWA these questions are fully answered. For several variants of OCWA, however, they remain open. In this work we adress these questions for Closed Powerset semantics and the OCWA semantics of Libkin and Sirangelo, 2011. We define a new OCWA semantics, called OCWA*, in terms of homomorphic covers that subsumes both semantics, and characterize semantic implication and equivalence in terms of such covers. This characterization yields a guess-and-check algorithm to decide equivalence, and shows that the problem is NP-complete. For the minimization problem we show that for several common notions of minimality there is in general no unique minimal equivalent instance for Closed Powerset semantics, and consequently not for the more expressive OCWA* either. However, for Closed Powerset semantics we show that one can find, for any incomplete database, a unique finite set of its subinstances which are subinstances (up to renaming of nulls) of all instances semantically equivalent to the original incomplete one. We study properties of this set, and extend the analysis to OCWA*.

Jinchi Chen, Xiaxia Wang, Gong Cheng et al.

Reusing published datasets on the Web is of great interest to researchers and developers. Their data needs may be met by submitting queries to a dataset search engine to retrieve relevant datasets. In this ongoing work towards developing a more usable dataset search engine, we characterize real data needs by annotating the semantics of 1,947 queries using a novel fine-grained scheme, to provide implications for enhancing dataset search. Based on the findings, we present a query-centered framework for dataset search, and explore the implementation of snippet generation and evaluate it with a preliminary user study.

Xiaxia Wang, Jinchi Chen, Shuxin Li et al.

Reusing existing datasets is of considerable significance to researchers and developers. Dataset search engines help a user find relevant datasets for reuse. They can present a snippet for each retrieved dataset to explain its relevance to the user's data needs. This emerging problem of snippet generation for dataset search has not received much research attention. To provide a basis for future research, we introduce a framework for quantitatively evaluating the quality of a dataset snippet. The proposed metrics assess the extent to which a snippet matches the query intent and covers the main content of the dataset. To establish a baseline, we adapt four state-of-the-art methods from related fields to our problem, and perform an empirical evaluation based on real-world datasets and queries. We also conduct a user study to verify our findings. The results demonstrate the effectiveness of our evaluation framework, and suggest directions for future research.

Evgeny Kharlamov, Yannis Kotidis, Theofilos Mailis et al.

Real-time analytics that requires integration and aggregation of heterogeneous and distributed streaming and static data is a typical task in many industrial scenarios such as diagnostics of turbines in Siemens. OBDA approach has a great potential to facilitate such tasks; however, it has a number of limitations in dealing with analytics that restrict its use in important industrial applications. Based on our experience with Siemens, we argue that in order to overcome those limitations OBDA should be extended and become analytics, source, and cost aware. In this work we propose such an extension. In particular, we propose an ontology, mapping, and query language for OBDA, where aggregate and other analytical functions are first class citizens. Moreover, we develop query optimisation techniques that allow to efficiently process analytical tasks over static and streaming data. We implement our approach in a system and evaluate our system with Siemens turbine data.

Bernardo Cuenca Grau, Evgeny Kharlamov, Egor V. Kostylev et al.

We study confidentiality enforcement in ontologies under the Controlled Query Evaluation framework, where a policy specifies the sensitive information and a censor ensures that query answers that may compromise the policy are not returned. We focus on censors that ensure confidentiality while maximising information access, and consider both Datalog and the OWL 2 profiles as ontology languages.

Diego Calvanese, Evgeny Kharlamov, Marco Montali et al.

Description Logic Knowledge and Action Bases (KABs) have been recently introduced as a mechanism that provides a semantically rich representation of the information on the domain of interest in terms of a DL KB and a set of actions to change such information over time, possibly introducing new objects. In this setting, decidability of verification of sophisticated temporal properties over KABs, expressed in a variant of first-order mu-calculus, has been shown. However, the established framework treats inconsistency in a simplistic way, by rejecting inconsistent states produced through action execution. We address this problem by showing how inconsistency handling based on the notion of repairs can be integrated into KABs, resorting to inconsistency-tolerant semantics. In this setting, we establish decidability and complexity of verification.