Knowledge Graph Embedding for Ecotoxicological Effect Prediction

Exploring the effects a chemical compound has on a species takes a considerable experimental effort. Appropriate methods for estimating and suggesting new effects can dramatically reduce the work needed to be done by a laboratory. In this paper we explore the suitability of using a knowledge graph embedding approach for ecotoxicological effect prediction. A knowledge graph has been constructed from publicly available data sets, including a species taxonomy and chemical classification and similarity. The publicly available effect data is integrated to the knowledge graph using ontology alignment techniques. Our experimental results show that the knowledge graph based approach improves the selected baselines

Knowledge graph embedding for ecotoxicological effect prediction

Exploring the effects of a chemical compound on a species takes a considerable experimental effort. Appropriate methods for estimating and suggesting new effects can dramatically reduce the work needed to be done by a laboratory. Here, we explore the suitability of using a knowledge graph embedding approach for ecotoxicological effect prediction. A knowledge graph has been constructed from publicly available data sets, including a species taxonomy and chemical knowledge. These knowledge sources are integrated by ontology alignment techniques. Our experimental results show that the knowledge graph and its embeddings augment the baseline models.publishedVersio

Correcting Knowledge Base Assertions

The usefulness and usability of knowledge bases (KBs) is often limited by quality issues. One common issue is the presence of erroneous assertions, often caused by lexical or semantic confusion. We study the problem of correcting such assertions, and present a general correction framework which combines lexical matching, semantic embedding, soft constraint mining and semantic consistency checking. The framework is evaluated using DBpedia and an enterprise medical KB

Enabling Semantic Data Access for Toxicological Risk Assessment

Experimental effort and animal welfare are concerns when exploring the effects a compound has on an organism. Appropriate methods for extrapolating chemical effects can further mitigate these challenges. In this paper we present the efforts to (i) (pre)process and gather data from public and private sources, varying from tabular files to SPARQL endpoints, (ii) integrate the data and represent them as a knowledge graph with richer semantics. This knowledge graph is further applied to facilitate the retrieval of the relevant data for a ecological risk assessment task, extrapolation of effect data, where two prediction techniques are developed

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.Comment: Paper accepted at ISWC2023 In-Use trac

The potential of a data centred approach & knowledge graph data representation in chemical safety and drug design

Big Data pervades nearly all areas of life sciences, yet the analysis of large integrated data sets remains a major challenge. Moreover, the field of life sciences is highly fragmented and, consequently, so is its data, knowledge, and standards. This, in turn, makes integrated data analysis and knowledge gathering across sub-fields a demanding task. At the same time, the integration of various research angles and data types is crucial for modelling the complexity of organisms and biological processes in a holistic manner. This is especially valid in the context of drug development and chemical safety assessment where computational methods can provide solutions for the urgent need of fast, effective, and sustainable approaches. At the same time, such computational methods require the development of methodologies suitable for an inte-grated and data centred Big Data view. Here we discuss Knowledge Graphs (KG) as a solution to a data centred analysis approach for drug and chemical development and safety assessment. KGs are knowledge bases, data analysis engines, and knowledge discovery systems all in one, allowing them to be used from simple data retrieval, over meta-analysis to complex predictive and knowledge discovery systems. Therefore, KGs have immense potential to advance the data centred approach, the re-usability, and infor-mativity of data. Furthermore, they can improve the power of analysis, and the complexity of modelled processes, all while providing knowledge in a natively human understandable network data model. (c) 2022 The Author(s). Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology. This is an open access article under the CC BY-NC-ND license (http://creative-commons.org/licenses/by-nc-nd/4.0/).Peer reviewe

Embedding OWL ontologies with OWL2Vec

In this paper, we present a preliminary study to compute embeddings for OWL 2 ontologies by projecting the ontology axioms into a graph and performing (random) walks over the ontology graph to create a corpus of sentences. This corpus is then given to a neural language model to create concept embeddings. The conducted preliminary evaluation shows promising results