Graph Modelling and Transformation: Theory meets Practice

In this paper, we focus on the role of graphs and graph transformation for four practical application areas from software system development. We present the typical problems in these areas and investigate how the respective systems are modelled by graphs and graph transformation. In particular, we are interested in the usefulness of theoretical graph transformation results and graph transformation tools in order to solve these problems. Finally, we characterize concepts and tool features which are still missing in practice to solve the presented and related problems even better. Keywords: graph modelling, graph transformation, graph transformation tool

Structural basis for DNMT3A-mediated de novo DNA methylation.

DNA methylation by de novo DNA methyltransferases 3A (DNMT3A) and 3B (DNMT3B) at cytosines is essential for genome regulation and development. Dysregulation of this process is implicated in various diseases, notably cancer. However, the mechanisms underlying DNMT3 substrate recognition and enzymatic specificity remain elusive. Here we report a 2.65-ångström crystal structure of the DNMT3A-DNMT3L-DNA complex in which two DNMT3A monomers simultaneously attack two cytosine-phosphate-guanine (CpG) dinucleotides, with the target sites separated by 14 base pairs within the same DNA duplex. The DNMT3A-DNA interaction involves a target recognition domain, a catalytic loop, and DNMT3A homodimeric interface. Arg836 of the target recognition domain makes crucial contacts with CpG, ensuring DNMT3A enzymatic preference towards CpG sites in cells. Haematological cancer-associated somatic mutations of the substrate-binding residues decrease DNMT3A activity, induce CpG hypomethylation, and promote transformation of haematopoietic cells. Together, our study reveals the mechanistic basis for DNMT3A-mediated DNA methylation and establishes its aetiological link to human disease

A heuristic-based approach to code-smell detection

Encapsulation and data hiding are central tenets of the object oriented paradigm. Deciding what data and behaviour to form into a class and where to draw the line between its public and private details can make the difference between a class that is an understandable, flexible and reusable abstraction and one which is not. This decision is a difficult one and may easily result in poor encapsulation which can then have serious implications for a number of system qualities. It is often hard to identify such encapsulation problems within large software systems until they cause a maintenance problem (which is usually too late) and attempting to perform such analysis manually can also be tedious and error prone. Two of the common encapsulation problems that can arise as a consequence of this decomposition process are data classes and god classes. Typically, these two problems occur together – data classes are lacking in functionality that has typically been sucked into an over-complicated and domineering god class. This paper describes the architecture of a tool which automatically detects data and god classes that has been developed as a plug-in for the Eclipse IDE. The technique has been evaluated in a controlled study on two large open source systems which compare the tool results to similar work by Marinescu, who employs a metrics-based approach to detecting such features. The study provides some valuable insights into the strengths and weaknesses of the two approache

Automated database design for document stores with multicriteria optimization

Document stores have gained popularity among NoSQL systems mainly due to the semi-structured data storage structure and the enhanced query capabilities. The database design in document stores expands beyond the first normal form by encouraging de-normalization through nesting. This hinders the process, as the number of alternatives grows exponentially with multiple choices in nesting (including different levels) and referencing (including the direction of the reference). Due to this complexity, document store data design is mostly carried out in trial-and-error or ad-hoc rule-based approaches. However, the choices affect multiple, often conflicting, aspects such as query performance, storage space, and complexity of the documents. To overcome these issues, in this paper, we apply multicriteria optimization. Our approach is driven by a query workload and a set of optimization objectives. First, we formalize a canonical model to represent alternative designs and introduce an algebra of transformations that can systematically modify a design. Then, using these transformations, we implement a local search algorithm driven by a loss function that can propose near-optimal designs with high probability. Finally, we compare our prototype against an existing document store data design solution purely driven by query cost, where our proposed designs have better performance and are more compact with less redundancy.Open Access funding provided thanks to the CRUE-CSIC agreement with Springer Nature. This research has been funded by the European Commission through the Erasmus Mundus Joint Doctorate "Information Technologies for Business Intelligence—Doctoral College" (IT4BI-DC). Sergi Nadal is partly supported by the Spanish Ministerio de Ciencia e Innovación, as well as the European Union—NextGenerationEU, under project FJC2020-045809-I / AEI/10.13039/501100011033.Peer ReviewedPostprint (published version

PTL: A Model Transformation Language based on Logic Programming

In this paper we present a model transformation language based on logic programming. The language, called PTL (Prolog based Transformation Language), can be considered as a hybrid language in which ATL (Atlas Transformation Language)-style rules are combined with logic rules for defining transformations. ATL-style rules are used to define mappings from source models to target models while logic rules are used as helpers. The implementation of PTL is based on the encoding of the ATL-style rules by Prolog rules. Thus, PTL makes use of Prolog as a transformation engine. We have provided a declarative semantics to PTL and proved the semantics equivalent to the encoded program. We have studied an encoding of OCL (Object Constraint Language) with Prolog goals in order to map ATL to PTL. Thus a subset of PTL can be considered equivalent to a subset of ATL. The proposed language can be also used for model validation, that is, for checking constraints on models and transformations. We have equipped our language with debugging and tracing capabilities which help developers to detect programming errors in PTL rules. Additionally, we have developed an Eclipse plugin for editing PTL programs, as well as for debugging, tracing and validation. Finally, we have evaluated the language with several transformation examples as well as tested the performance with large models

Automated inference of likely metamorphic relations for model transformations

Model transformations play a cornerstone role in Model-Driven Engineering (MDE) as they provide the essential mechanisms for manipulating and transforming models. Checking whether the output of a model transformation is correct is a manual and errorprone task, referred to as the oracle problem. Metamorphic testing alleviates the oracle problem by exploiting the relations among di erent inputs and outputs of the program under test, so-called metamorphic relations (MRs). One of the main challenges in metamorphic testing is the automated inference of likely MRs. This paper proposes an approach to automatically infer likely MRs for ATL model transformations, where the tester does not need to have any knowledge of the transformation. The inferred MRs aim at detecting faults in model transformations in three application scenarios, namely regression testing, incremental transformations and migrations among transformation languages. In the experiments performed, the inferred likely MRs have proved to be quite accurate, with a precision of 96.4% from a total of 4101 true positives out of 4254 MRs inferred. Furthermore, they have been useful for identifying mutants in regression testing scenarios, with a mutation score of 93.3%. Finally, our approach can be used in conjunction with current approaches for the automatic generation of test cases.Comisión Interministerial de Ciencia y Tecnología TIN2015-70560-RJunta de Andalucía P12-TIC-186

Semantically defined Analytics for Industrial Equipment Diagnostics

In this age of digitalization, industries everywhere accumulate massive amount of data such that it has become the lifeblood of the global economy. This data may come from various heterogeneous systems, equipment, components, sensors, systems and applications in many varieties (diversity of sources), velocities (high rate of changes) and volumes (sheer data size). Despite significant advances in the ability to collect, store, manage and filter data, the real value lies in the analytics. Raw data is meaningless, unless it is properly processed to actionable (business) insights. Those that know how to harness data effectively, have a decisive competitive advantage, through raising performance by making faster and smart decisions, improving short and long-term strategic planning, offering more user-centric products and services and fostering innovation. Two distinct paradigms in practice can be discerned within the field of analytics: semantic-driven (deductive) and data-driven (inductive). The first emphasizes logic as a way of representing the domain knowledge encoded in rules or ontologies and are often carefully curated and maintained. However, these models are often highly complex, and require intensive knowledge processing capabilities. Data-driven analytics employ machine learning (ML) to directly learn a model from the data with minimal human intervention. However, these models are tuned to trained data and context, making it difficult to adapt. Industries today that want to create value from data must master these paradigms in combination. However, there is great need in data analytics to seamlessly combine semantic-driven and data-driven processing techniques in an efficient and scalable architecture that allows extracting actionable insights from an extreme variety of data. In this thesis, we address these needs by providing: • A unified representation of domain-specific and analytical semantics, in form of ontology models called TechOnto Ontology Stack. It is highly expressive, platform-independent formalism to capture conceptual semantics of industrial systems such as technical system hierarchies, component partonomies etc and its analytical functional semantics. • A new ontology language Semantically defined Analytical Language (SAL) on top of the ontology model that extends existing DatalogMTL (a Horn fragment of Metric Temporal Logic) with analytical functions as first class citizens. • A method to generate semantic workflows using our SAL language. It helps in authoring, reusing and maintaining complex analytical tasks and workflows in an abstract fashion. • A multi-layer architecture that fuses knowledge- and data-driven analytics into a federated and distributed solution. To our knowledge, the work in this thesis is one of the first works to introduce and investigate the use of the semantically defined analytics in an ontology-based data access setting for industrial analytical applications. The reason behind focusing our work and evaluation on industrial data is due to (i) the adoption of semantic technology by the industries in general, and (ii) the common need in literature and in practice to allow domain expertise to drive the data analytics on semantically interoperable sources, while still harnessing the power of analytics to enable real-time data insights. Given the evaluation results of three use-case studies, our approach surpass state-of-the-art approaches for most application scenarios.Im Zeitalter der Digitalisierung sammeln die Industrien überall massive Daten-mengen, die zum Lebenselixier der Weltwirtschaft geworden sind. Diese Daten können aus verschiedenen heterogenen Systemen, Geräten, Komponenten, Sensoren, Systemen und Anwendungen in vielen Varianten (Vielfalt der Quellen), Geschwindigkeiten (hohe Änderungsrate) und Volumina (reine Datengröße) stammen. Trotz erheblicher Fortschritte in der Fähigkeit, Daten zu sammeln, zu speichern, zu verwalten und zu filtern, liegt der eigentliche Wert in der Analytik. Rohdaten sind bedeutungslos, es sei denn, sie werden ordnungsgemäß zu verwertbaren (Geschäfts-)Erkenntnissen verarbeitet. Wer weiß, wie man Daten effektiv nutzt, hat einen entscheidenden Wettbewerbsvorteil, indem er die Leistung steigert, indem er schnellere und intelligentere Entscheidungen trifft, die kurz- und langfristige strategische Planung verbessert, mehr benutzerorientierte Produkte und Dienstleistungen anbietet und Innovationen fördert. In der Praxis lassen sich im Bereich der Analytik zwei unterschiedliche Paradigmen unterscheiden: semantisch (deduktiv) und Daten getrieben (induktiv). Die erste betont die Logik als eine Möglichkeit, das in Regeln oder Ontologien kodierte Domänen-wissen darzustellen, und wird oft sorgfältig kuratiert und gepflegt. Diese Modelle sind jedoch oft sehr komplex und erfordern eine intensive Wissensverarbeitung. Datengesteuerte Analysen verwenden maschinelles Lernen (ML), um mit minimalem menschlichen Eingriff direkt ein Modell aus den Daten zu lernen. Diese Modelle sind jedoch auf trainierte Daten und Kontext abgestimmt, was die Anpassung erschwert. Branchen, die heute Wert aus Daten schaffen wollen, müssen diese Paradigmen in Kombination meistern. Es besteht jedoch ein großer Bedarf in der Daten-analytik, semantisch und datengesteuerte Verarbeitungstechniken nahtlos in einer effizienten und skalierbaren Architektur zu kombinieren, die es ermöglicht, aus einer extremen Datenvielfalt verwertbare Erkenntnisse zu gewinnen. In dieser Arbeit, die wir auf diese Bedürfnisse durch die Bereitstellung: • Eine einheitliche Darstellung der Domänen-spezifischen und analytischen Semantik in Form von Ontologie Modellen, genannt TechOnto Ontology Stack. Es ist ein hoch-expressiver, plattformunabhängiger Formalismus, die konzeptionelle Semantik industrieller Systeme wie technischer Systemhierarchien, Komponenten-partonomien usw. und deren analytische funktionale Semantik zu erfassen. • Eine neue Ontologie-Sprache Semantically defined Analytical Language (SAL) auf Basis des Ontologie-Modells das bestehende DatalogMTL (ein Horn fragment der metrischen temporären Logik) um analytische Funktionen als erstklassige Bürger erweitert. • Eine Methode zur Erzeugung semantischer workflows mit unserer SAL-Sprache. Es hilft bei der Erstellung, Wiederverwendung und Wartung komplexer analytischer Aufgaben und workflows auf abstrakte Weise. • Eine mehrschichtige Architektur, die Wissens- und datengesteuerte Analysen zu einer föderierten und verteilten Lösung verschmilzt. Nach unserem Wissen, die Arbeit in dieser Arbeit ist eines der ersten Werke zur Einführung und Untersuchung der Verwendung der semantisch definierten Analytik in einer Ontologie-basierten Datenzugriff Einstellung für industrielle analytische Anwendungen. Der Grund für die Fokussierung unserer Arbeit und Evaluierung auf industrielle Daten ist auf (i) die Übernahme semantischer Technologien durch die Industrie im Allgemeinen und (ii) den gemeinsamen Bedarf in der Literatur und in der Praxis zurückzuführen, der es der Fachkompetenz ermöglicht, die Datenanalyse auf semantisch inter-operablen Quellen voranzutreiben, und nutzen gleichzeitig die Leistungsfähigkeit der Analytik, um Echtzeit-Daten-einblicke zu ermöglichen. Aufgrund der Evaluierungsergebnisse von drei Anwendungsfällen Übertritt unser Ansatz für die meisten Anwendungsszenarien Modernste Ansätze