Embedding Knowledge Graphs in Degenerate Clifford Algebras

Clifford algebras are a natural generalization of the real numbers, the complex numbers, and the quaternions. So far, solely Clifford algebras of the form $Cl_{p,q}$ (i.e., algebras without nilpotent base vectors) have been studied in the context of knowledge graph embeddings. We propose to consider nilpotent base vectors with a nilpotency index of two. In these spaces, denoted $Cl_{p,q,r}$, allows generalizing over approaches based on dual numbers (which cannot be modelled using $Cl_{p,q}$) and capturing patterns that emanate from the absence of higher-order interactions between real and complex parts of entity embeddings. We design two new models for the discovery of the parameters $p$, $q$, and $r$. The first model uses a greedy search to optimize $p$, $q$, and $r$. The second predicts $(p, q,r)$ based on an embedding of the input knowledge graph computed using neural networks. The results of our evaluation on seven benchmark datasets suggest that nilpotent vectors can help capture embeddings better. Our comparison against the state of the art suggests that our approach generalizes better than other approaches on all datasets w.r.t. the MRR it achieves on validation data. We also show that a greedy search suffices to discover values of $p$, $q$ and $r$ that are close to optimal.

Universal Knowledge Graph Embeddings

A variety of knowledge graph embedding approaches have been developed. Most of them obtain embeddings by learning the structure of the knowledge graph within a link prediction setting. As a result, the embeddings reflect only the semantics of a single knowledge graph, and embeddings for different knowledge graphs are not aligned, e.g., they cannot be used to find similar entities across knowledge graphs via nearest neighbor search. However, knowledge graph embedding applications such as entity disambiguation require a more global representation, i.e., a representation that is valid across multiple sources. We propose to learn universal knowledge graph embeddings from large-scale interlinked knowledge sources. To this end, we fuse large knowledge graphs based on the owl:sameAs relation such that every entity is represented by a unique identity. We instantiate our idea by computing universal embeddings based on DBpedia and Wikidata yielding embeddings for about 180 million entities, 15 thousand relations, and 1.2 billion triples. Moreover, we develop a convenient API to provide embeddings as a service. Experiments on link prediction show that universal knowledge graph embeddings encode better semantics compared to embeddings computed on a single knowledge graph. For reproducibility purposes, we provide our source code and datasets open access at https://github.com/dice-group/Universal_Embeddings

LitCQD: Multi-Hop Reasoning in Incomplete Knowledge Graphs with Numeric Literals

Most real-world knowledge graphs, including Wikidata, DBpedia, and Yago are incomplete. Answering queries on such incomplete graphs is an important, but challenging problem. Recently, a number of approaches, including complex query decomposition (CQD), have been proposed to answer complex, multi-hop queries with conjunctions and disjunctions on such graphs. However, all state-of-the-art approaches only consider graphs consisting of entities and relations, neglecting literal values. In this paper, we propose LitCQD -- an approach to answer complex, multi-hop queries where both the query and the knowledge graph can contain numeric literal values: LitCQD can answer queries having numerical answers or having entity answers satisfying numerical constraints. For example, it allows to query (1)~persons living in New York having a certain age, and (2)~the average age of persons living in New York. We evaluate LitCQD on query types with and without literal values. To evaluate LitCQD, we generate complex, multi-hop queries and their expected answers on a version of the FB15k-237 dataset that was extended by literal values.

Learning Permutation-Invariant Embeddings for Description Logic Concepts

Concept learning deals with learning description logic concepts from a background knowledge and input examples. The goal is to learn a concept that covers all positive examples, while not covering any negative examples. This non-trivial task is often formulated as a search problem within an infinite quasi-ordered concept space. Although state-of-the-art models have been successfully applied to tackle this problem, their large-scale applications have been severely hindered due to their excessive exploration incurring impractical runtimes. Here, we propose a remedy for this limitation. We reformulate the learning problem as a multi-label classification problem and propose a neural embedding model (NERO) that learns permutation-invariant embeddings for sets of examples tailored towards predicting $F_1$ scores of pre-selected description logic concepts. By ranking such concepts in descending order of predicted scores, a possible goal concept can be detected within few retrieval operations, i.e., no excessive exploration. Importantly, top-ranked concepts can be used to start the search procedure of state-of-the-art symbolic models in multiple advantageous regions of a concept space, rather than starting it in the most general concept $\top$. Our experiments on 5 benchmark datasets with 770 learning problems firmly suggest that NERO significantly (p-value <1%) outperforms the state-of-the-art models in terms of $F_1$ score, the number of explored concepts, and the total runtime. We provide an open-source implementation of our approach.

Hardware-agnostic Computation for Large-scale Knowledge Graph Embeddings

Knowledge graph embedding research has mainly focused on learning continuous representations of knowledge graphs towards the link prediction problem. Recently developed frameworks can be effectively applied in research related applications. Yet, these frameworks do not fulfill many requirements of real-world applications. As the size of the knowledge graph grows, moving computation from a commodity computer to a cluster of computers in these frameworks becomes more challenging. Finding suitable hyperparameter settings w.r.t. time and computational budgets are left to practitioners. In addition, the continual learning aspect in knowledge graph embedding frameworks is often ignored, although continual learning plays an important role in many real-world (deep) learning-driven applications. Arguably, these limitations explain the lack of publicly available knowledge graph embedding models for large knowledge graphs. We developed a framework based on the frameworks DASK, Pytorch Lightning and Hugging Face to compute embeddings for large-scale knowledge graphs in a hardware-agnostic manner, which is able to address real-world challenges pertaining to the scale of real application. We provide an open-source version of our framework along with a hub of pre-trained models having more than 11.4 B parameters.

Conformal Credal Self-Supervised Learning

In semi-supervised learning, the paradigm of self-training refers to the idea of learning from pseudo-labels suggested by the learner itself. Across various domains, corresponding methods have proven effective and achieve state-of-the-art performance. However, pseudo-labels typically stem from ad-hoc heuristics, relying on the quality of the predictions though without guaranteeing their validity. One such method, so-called credal self-supervised learning, maintains pseudo-supervision in the form of sets of (instead of single) probability distributions over labels, thereby allowing for a flexible yet uncertainty-aware labeling. Again, however, there is no justification beyond empirical effectiveness. To address this deficiency, we make use of conformal prediction, an approach that comes with guarantees on the validity of set-valued predictions. As a result, the construction of credal sets of labels is supported by a rigorous theoretical foundation, leading to better calibrated and less error-prone supervision for unlabeled data. Along with this, we present effective algorithms for learning from credal self-supervision. An empirical study demonstrates excellent calibration properties of the pseudo-supervision, as well as the competitiveness of our method on several benchmark datasets.

Kronecker Decomposition for Knowledge Graph Embeddings

Knowledge graph embedding research has mainly focused on learning continuous representations of entities and relations tailored towards the link prediction problem. Recent results indicate an ever increasing predictive ability of current approaches on benchmark datasets. However, this effectiveness often comes with the cost of over-parameterization and increased computationally complexity. The former induces extensive hyperparameter optimization to mitigate malicious overfitting. The latter magnifies the importance of winning the hardware lottery. Here, we investigate a remedy for the first problem. We propose a technique based on Kronecker decomposition to reduce the number of parameters in a knowledge graph embedding model, while retaining its expressiveness. Through Kronecker decomposition, large embedding matrices are split into smaller embedding matrices during the training process. Hence, embeddings of knowledge graphs are not plainly retrieved but reconstructed on the fly. The decomposition ensures that elementwise interactions between three embedding vectors are extended with interactions within each embedding vector. This implicitly reduces redundancy in embedding vectors and encourages feature reuse. To quantify the impact of applying Kronecker decomposition on embedding matrices, we conduct a series of experiments on benchmark datasets. Our experiments suggest that applying Kronecker decomposition on embedding matrices leads to an improved parameter efficiency on all benchmark datasets. Moreover, empirical evidence suggests that reconstructed embeddings entail robustness against noise in the input knowledge graph. To foster reproducible research, we provide an open-source implementation of our approach, including training and evaluation scripts as well as pre-trained models in our knowledge graph embedding framework (https://github.com/dice-group/dice-embeddings).

Neural Class Expression Synthesis

Class expression learning is a branch of explainable supervised machine learning of increasing importance. Most existing approaches for class expression learning in description logics are search algorithms or hard-rule-based. In particular, approaches based on refinement operators suffer from scalability issues as they rely on heuristic functions to explore a large search space for each learning problem. We propose a new family of approaches, which we dub synthesis approaches. Instances of this family compute class expressions directly from the examples provided. Consequently, they are not subject to the runtime limitations of search-based approaches nor the lack of flexibility of hard-rule-based approaches. We study three instances of this novel family of approaches that use lightweight neural network architectures to synthesize class expressions from sets of positive examples. The results of their evaluation on four benchmark datasets suggest that they can effectively synthesize high-quality class expressions with respect to the input examples in under a second on average. Moreover, a comparison with the state-of-the-art approaches CELOE and ELTL suggests that we achieve significantly better F-measures on large ontologies. For reproducibility purposes, we provide our implementation as well as pre-trained models in the public GitHub repository at https://github.com/ConceptLengthLearner/NCES

EvoLearner: Learning Description Logics with Evolutionary Algorithms

Classifying nodes in knowledge graphs is an important task, e.g., predicting missing types of entities, predicting which molecules cause cancer, or predicting which drugs are promising treatment candidates. While black-box models often achieve high predictive performance, they are only post-hoc and locally explainable and do not allow the learned model to be easily enriched with domain knowledge. Towards this end, learning description logic concepts from positive and negative examples has been proposed. However, learning such concepts often takes a long time and state-of-the-art approaches provide limited support for literal data values, although they are crucial for many applications. In this paper, we propose EvoLearner - an evolutionary approach to learn ALCQ(D), which is the attributive language with complement (ALC) paired with qualified cardinality restrictions (Q) and data properties (D). We contribute a novel initialization method for the initial population: starting from positive examples (nodes in the knowledge graph), we perform biased random walks and translate them to description logic concepts. Moreover, we improve support for data properties by maximizing information gain when deciding where to split the data. We show that our approach significantly outperforms the state of the art on the benchmarking framework SML-Bench for structured machine learning. Our ablation study confirms that this is due to our novel initialization method and support for data properties.

Prediction of concept lengths for fast concept learning in description logics

Concept learning approaches based on refinement operators explore partially ordered solution spaces to compute concepts, which are used as binary classification models for individuals. However, the refinement trees spanned by these approaches can easily grow to millions of nodes for complex learning problems. This leads to refinement-based approaches often failing to detect optimal concepts efficiently. In this paper, we propose a supervised machine learning approach for learning concept lengths, which allows predicting the length of the target concept and therefore facilitates the reduction of the search space during concept learning. To achieve this goal, we compare four neural architectures and evaluate them on four benchmark knowledge graphs--Carcinogenesis, Mutagenesis, Semantic Bible, Family Benchmark. Our evaluation results suggest that recurrent neural network architectures perform best at concept length prediction with an F-measure of up to 92%. We show that integrating our concept length predictor into the CELOE (Class Expression Learner for Ontology Engineering) algorithm improves CELOE's runtime by a factor of up to 13.4 without any significant changes to the quality of the results it generates. For reproducibility, we provide our implementation in the public GitHub repository at https://github.com/ConceptLengthLearner/ReproducibilityRepo