Semantic model-driven development of service-centric software architectures

Service-oriented architecture (SOA) is a recent architectural paradigm that has received much attention. The prevalent focus on platforms such as Web services, however, needs to be complemented by appropriate software engineering methods. We propose the model-driven development of service-centric software systems. We present in particular an investigation into the role of enriched semantic modelling for a modeldriven development framework for service-centric software systems. Ontologies as the foundations of semantic modelling and its enhancement through architectural pattern modelling are at the core of the proposed approach. We introduce foundations and discuss the benefits and also the challenges in this context

Molecular Force Fields with Gradient-Domain Machine Learning: Construction and Application to Dynamics of Small Molecules with Coupled Cluster Forces

We present the construction of molecular force fields for small molecules (less than 25 atoms) using the recently developed symmetrized gradient-domain machine learning (sGDML) approach [Chmiela et al., Nat. Commun. 9, 3887 (2018); Sci. Adv. 3, e1603015 (2017)]. This approach is able to accurately reconstruct complex high-dimensional potential-energy surfaces from just a few 100s of molecular conformations extracted from ab initio molecular dynamics trajectories. The data efficiency of the sGDML approach implies that atomic forces for these conformations can be computed with high-level wavefunction-based approaches, such as the "gold standard" CCSD(T) method. We demonstrate that the flexible nature of the sGDML model recovers local and non-local electronic interactions (e.g. H-bonding, proton transfer, lone pairs, changes in hybridization states, steric repulsion and $n\to\pi^*$ interactions) without imposing any restriction on the nature of interatomic potentials. The analysis of sGDML molecular dynamics trajectories yields new qualitative insights into dynamics and spectroscopy of small molecules close to spectroscopic accuracy

Quality-aware model-driven service engineering

Service engineering and service-oriented architecture as an integration and platform technology is a recent approach to software systems integration. Quality aspects ranging from interoperability to maintainability to performance are of central importance for the integration of heterogeneous, distributed service-based systems. Architecture models can substantially influence quality attributes of the implemented software systems. Besides the benefits of explicit architectures on maintainability and reuse, architectural constraints such as styles, reference architectures and architectural patterns can influence observable software properties such as performance. Empirical performance evaluation is a process of measuring and evaluating the performance of implemented software. We present an approach for addressing the quality of services and service-based systems at the model-level in the context of model-driven service engineering. The focus on architecture-level models is a consequence of the black-box character of services

Dealing with non-functional requirements in model-driven development

The impact of non-functional requirements (NFRs) over software systems has been widely documented. Consequently, cost-effective software production method shall provide means to integrate this type of requirements into the development process. In this vision paper we analyze this assumption over a particular type of software production paradigm: model-driven development (MDD). We report first the current state of MDD approaches with respect to NFRs and remark that, in general, NFRs are not addressed in MDD methods and processes, and we discuss the effects of this situation. Next, we outline a general framework that integrates NFRs into the core of the MDD process and provide a detailed comparison among all the MDD approaches considered. Last, we identify some research issues related to this framework.Preprin

Improving Requirements Specification in WebREd-Tool by Using a NFR's Classification

In Software Engineering (SE), a system has properties that emerge from the combination of its parts, these emergent properties will surely be a matter of system failure if the Non-Fuctional Requirements (NFRs), or system qualities, are not specified in advance. In Web Engineering (WE) field occurs very similar, but with some other issues related to special characteristics of the Web applications such as the navigation (with the application of the security). In this paper, we improve our Model-Driven tool, named WebREd-Tool, extending the requirements metamodel with a NFRs classification, the main idea is to help the Web application designer with the NFRs specification to make better design decisions and also to be used to validate the quality of the final Web application

Distribution pattern-driven development of service architectures

Distributed systems are being constructed by composing a number of discrete components. This practice is particularly prevalent within the Web service domain in the form of service process orchestration and choreography. Often, enterprise systems are built from many existing discrete applications such as legacy applications exposed using Web service interfaces. There are a number of architectural configurations or distribution patterns, which express how a composed system is to be deployed in a distributed environment. However, the amount of code required to realise these distribution patterns is considerable. In this paper, we propose a distribution pattern-driven approach to service composition and architecting. We develop, based on a catalog of patterns, a UML-compliant framework, which takes existing Web service interfaces as its input and generates executable Web service compositions based on a distribution pattern chosen by the software architect

Modeling the linkage between systems interoperability and security engineering

Industry, finance, and other business activities are increasingly reliant on computer networks and systems, which demand effective interoperability of systems. But this also demands effective systems security, which poses a major challenge to the socio-technical interactions enabled by interoperable tools. This paper addresses modeling of the linkages between interoperability and security in the model design stage of systems development. It considers current interoperability frameworks and the manner in which they may be combined with security standards and desirable characteristics to create trusted, robust systems that are central to the operation of network enabled large scale applications. An holistic approach for interoperability and security is presented based on systems requirements modeling and model based architecting principles

A UML Profile for Security and Code Generation

Recently, many research studies have suggested the integration of safety engineering at an early stage of modeling and system development using Model-Driven Architecture (MDA). This concept consists in deploying the UML (Unified Modeling Language) standard as aprincipal metamodel for the abstractions of different systems. To our knowledge, most of this work has focused on integrating security requirements after the implementation phase without taking them into account when designing systems. In this work, we focused our efforts on non-functional aspects such as the business logic layer, data flow monitoring, and high-quality service delivery. Practically, we have proposed a new UML profile for security integration and code generation for the Java platform. Therefore, the security properties will be described by a UML profile and the OCL language to verify the requirements of confidentiality, authorization, availability, data integrity, and data encryption. Finally, the source code such as the application security configuration, the method signatures and their bodies, the persistent entities and the security controllers generated from sequence diagram of system’s internal behavior after its extension with this profile and applying a set of transformations