Exploration of Reaction Pathways and Chemical Transformation Networks

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

Interpassivity and the joy of delegated play in idle games

This paper examines the youngest video games genre, the so called idle (incremental) game, also referred to as the passive, self-playing or clicker game, which seems to challenge the current understanding of digital games as systems, based on a human-machine interaction where it is the human who actively engages with the system through meaningful choices. Idle games, on the other hand, tend to play themselves, making the player’s participation optional or, in some cases, entirely redundant. Interactivity and agency – qualities extensively theorised with reference to digital games – are questioned in the context of idling. In this paper the author will investigate the self-contradictory genre through the lens of interpassivity, a concept developed by Robert Pfaller and Slavoj Žižek to describe the aesthetics of delegated enjoyment. This contribution aims at introducing interpassivity to a wider Game Studies community, and offers an alternative perspective to reflect upon digital games in general and self-playing games in particular

Open-standards rich media mobile platform & rapid deployment service creation tool

This paper builds upon the work carried out by Brunel University in the field of "Fast Prototyping And Semi-automated User Interface And Application Generation for Converged Broadcast and Cellular Terminals" [1]. This work involved the development of a service creation application for interactive services on mobile devices and methodologies and tools to speed up and deskill the deployment process. This paper aims at further enhancing these tools and presents an enhanced open standards reference platform for mobile digital TV and rich media services. By using a Scalar Vector Graphics (SVG)-driven Java MIDP application (as opposed to bitmapped raster graphics-driven MHP), rich media services can be broadcast to mobile devices running various Java-supported platforms with a user interface scalable to any screen size. Moreover, the Rich Media Mobile Browser is integrated into a service creation tool, therefore enabling rapid testing and deployment of rich mobile media services. The following sections detail the motivation behind the need for a platform which allows for rich media play-out on mobile devices, along with the rich media mobile viewing application and the tools used to create and test rich media with speed and ease

Critical Success Factors for Positive User Experience in Hotel Websites: Applying Herzberg's Two Factor Theory for User Experience Modeling

This research presents the development of a critical success factor matrix for increasing positive user experience of hotel websites based upon user ratings. Firstly, a number of critical success factors for web usability have been identified through the initial literature review. Secondly, hotel websites were surveyed in terms of critical success factors identified through the literature review. Thirdly, Herzberg's motivation theory has been applied to the user rating and the critical success factors were categorized into two areas. Finally, the critical success factor matrix has been developed using the two main sets of data.Comment: Journal articl

From Method Fragments to Method Services

In Method Engineering (ME) science, the key issue is the consideration of information system development methods as fragments. Numerous ME approaches have produced several definitions of method parts. Different in nature, these fragments have nevertheless some common disadvantages: lack of implementation tools, insufficient standardization effort, and so on. On the whole, the observed drawbacks are related to the shortage of usage orientation. We have proceeded to an in-depth analysis of existing method fragments within a comparison framework in order to identify their drawbacks. We suggest overcoming them by an improvement of the ?method service? concept. In this paper, the method service is defined through the service paradigm applied to a specific method fragment ? chunk. A discussion on the possibility to develop a unique representation of method fragment completes our contribution

Techniques for augmenting the visualisation of dynamic raster surfaces

Despite their aesthetic appeal and condensed nature, dynamic raster surface representations such as a temporal series of a landform and an attribute series of a socio-economic attribute of an area, are often criticised for the lack of an effective information delivery and interactivity.In this work, we readdress some of the earlier raised reasons for these limitations -information-laden quality of surface datasets, lack of spatial and temporal continuity in the original data, and a limited scope for a real-time interactivity. We demonstrate with examples that the use of four techniques namely the re-expression of the surfaces as a framework of morphometric features, spatial generalisation, morphing, graphic lag and brushing can augment the visualisation of dynamic raster surfaces in temporal and attribute series

A hybrid method for the analysis of learner behaviour in active learning environments

Software-mediated learning requires adjustments in the teaching and learning process. In particular active learning facilitated through interactive learning software differs from traditional instructor-oriented, classroom-based teaching. We present behaviour analysis techniques for Web-mediated learning. Motivation, acceptance of the learning approach and technology, learning organisation and actual tool usage are aspects of behaviour that require different analysis techniques to be used. A hybrid method based on a combination of survey methods and Web usage mining techniques can provide accurate and comprehensive analysis results. These techniques allow us to evaluate active learning approaches implemented in form of Web tutorials

The Grammar of Interactive Explanatory Model Analysis

The growing need for in-depth analysis of predictive models leads to a series of new methods for explaining their local and global properties. Which of these methods is the best? It turns out that this is an ill-posed question. One cannot sufficiently explain a black-box machine learning model using a single method that gives only one perspective. Isolated explanations are prone to misunderstanding, which inevitably leads to wrong or simplistic reasoning. This problem is known as the Rashomon effect and refers to diverse, even contradictory interpretations of the same phenomenon. Surprisingly, the majority of methods developed for explainable machine learning focus on a single aspect of the model behavior. In contrast, we showcase the problem of explainability as an interactive and sequential analysis of a model. This paper presents how different Explanatory Model Analysis (EMA) methods complement each other and why it is essential to juxtapose them together. The introduced process of Interactive EMA (IEMA) derives from the algorithmic side of explainable machine learning and aims to embrace ideas developed in cognitive sciences. We formalize the grammar of IEMA to describe potential human-model dialogues. IEMA is implemented in the human-centered framework that adopts interactivity, customizability and automation as its main traits. Combined, these methods enhance the responsible approach to predictive modeling.Comment: 17 pages, 10 figures, 3 table