DAGE: DAG Query Answering via Relational Combinator with Logical Constraints

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.

Predictive Multiplicity of Knowledge Graph Embeddings in Link Prediction

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 suggest conflicting predictions for certain queries, termed \textit{predictive multiplicity} in literature. This behavior poses substantial risks for KGE-based applications in high-stake domains but has been overlooked in KGE research. In this paper, we define predictive multiplicity in link prediction. We 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. To address this issue, we propose leveraging voting methods from social choice theory, significantly mitigating conflicts by $66\%$ to $78\%$ according to our experiments.

Conformalized Answer Set Prediction for Knowledge Graph Embedding

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 distinguish plausible from implausible answers, 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.

Alleviating Over-Smoothing via Aggregation over Compact Manifolds

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.

Pre-Training and Prompting for Few-Shot Node Classification on Text-Attributed Graphs

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.

Approximating Probabilistic Inference in Statistical EL with Knowledge Graph Embeddings

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.

Generating SROI^{-} Ontologies via Knowledge Graph Query Embedding Learning

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.

Robust Knowledge Extraction from Large Language Models using Social Choice Theory

Large-language models (LLMs) have the potential to support a wide range of applications like conversational agents, creative writing, text improvement, and general query answering. However, they are ill-suited for query answering in high-stake domains like medicine because they generate answers at random and their answers 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.

Literal-Aware Knowledge Graph Embedding for Welding Quality Monitoring: A Bosch Case

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.

Scaling Data Science Solutions with Semantics and Machine Learning: Bosch Case

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.