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This work summarizes how catalysts informatics plays a role in catalyst design.

Unique 30 types of multi-component La2O3-based catalysts for oxidative coupling of methane were discovered in 75 types of selected catalysts based on high-throughput screening and literature datasets with multi-output machine learning approaches.

Reaction networks of hydrocarbons are explored using first principles calculations, data science, and experiments.

Reaction networks of hydrocarbons are explored using first principles calculations, data science, and experiments. Transforming hydrocarbon data into networks reveals the prevalence of the formation and reaction of various molecules. Graph theory is implemented to extract knowledge from the reaction network. In particular, centralities analysis reveals that H

Identification of catalysts is a difficult matter as catalytic activities involve a vast number of complex features that each catalyst possesses. Here, catalysis gene expression profiling is proposed from unique features discovered in catalyst data collected by high-throughput experiments as an alternative way of representing the catalysts. Combining constructed catalyst gene sequences with hierarchical clustering results in catalyst gene expression profiling where natural language processing is used to identify similar catalysts based on edit distance. In addition, catalysts with similar properties are designed by modifying catalyst genes where the designed catalysts are experimentally confirmed to have catalytic activities that are associated with their catalyst gene sequences. Thus, the proposed method of catalyst gene expressions allows for a novel way of describing catalysts that allows for similarities in catalysts and catalytic activity to be easily recognized while enabling the ability to design new catalysts based on manipulating chemical elements of catalysts with similar catalyst gene sequences.

Direct design of low temperature oxidative coupling of methane (OCM) catalysts is proposed via machine learning and data mining. 58 OCM catalysts are experimentally synthesized and evaluated. The collected 58 sets of data are then classified by unsupervised machine learning in a multi-dimensional space where an active catalyst group for low temperature OCM is identified. Data mining then identifies the physical rule within the group. Catalysts satisfying such a physical rule are designed where 2 undiscovered low temperature OCM catalysts are found and experimentally validated. Thus, machine learning and data mining reveal the hidden physical rule behind the catalysis leading to the direct design of catalysts. Hence, machine learning and data mining open up the insight on a powerful strategy for designing catalysts.

An innovative web-based integrated catalyst informatics platform, Catalyst Acquisition by Data Science (CADS), is developed for use towards the discovery and design of catalysts. The platform provides three main functionalities: a repository for data sharing and publishing, an analytic workspace for exploratory visual analysis, and catalyst property prediction tools with pretrained machine learning models. Access to such a platform helps decrease barriers to entry faced by researchers in catalytic chemistry when attempting to apply catalyst informatics towards data by providing analytical and visualization tools that can be simultaneously applied and easily accessed within a central space, thereby helping the advancement of catalyst informatics. The developed platform allows researchers to upload and collect data onto the platform and conduct data analysis using a system of linked workspaces consisting of interactive visualization tools and machine learning tools that simultaneously update according to the researchers' actions in real time. The platform also provides a space for collaboration where researchers can choose to publish their uploaded data and resulting analyses to the platform for collaborations with other users and groups. As an example, CADS is applied towards oxidative coupling of methane (OCM) data where use of the platform tools reveals underlying patterns and trends that are otherwise hidden within the original data. Thus, the proposed platform contributes towards the advancement of catalyst informatics for both specialists and non-specialists.

Catalysis research is on the verge of experiencing a paradigm shift regarding how catalysts are designed and characterized due to the rise of catalyst informatics. The details of catalyst informatics are reviewed where the following three key concepts are proposed: catalyst data, catalyst data to catalyst design via data science, and catalyst platform. Additionally, progress and opportunities within catalyst informatics are explored and introduced. If the field of catalyst informatics grows in the appropriate manner, the methods and approaches taken for catalyst design would be fundamentally altered, leading towards great advancement within catalysis research.

There is not much doubt that the progress of information and communication technologies, the computerization of all areas of life, and the engagement of increasingly more human beings in the usage of computerized gadgets results in an enormous growth of data available. The data available bear potential for solving urgent problems such as, e.g., forecasting of the spreading of diseases and related prevention, the estimation of the impact of forthcoming disasters like sinkholes, earthquakes, and tsunamies and the preparation of adequate measures, or the development of more precise weather forecasts, to name just a few. Data need to be analyzed. There is a manifold of methodologies and tools to support human exploration. How to do this is treated as an art. But scenarios of data analysis, visualization, and exploration are not yet considered. The present work is intended to fill the gap and to contribute to a paradigmatic shift from the art to a science.

The publication and reuse of intellectual resources using the Web technologies provide no support for us to clip out any portion of Web pages, to combine them together for their local reuse, nor to publish the newly composed object as a new Web page for its reuse by other people. This paper shows how the meme-media architecture is applied to the Web to provide such support for us. This makes the Web work as a shared repository not only for publishing intellectual resources, but also for their collaborative reediting. We will propose a general framework for clipping arbitrary Web contents as live objects, for defining IO ports on such a clip, and for the recombination and linkage of such clips based on both the original and some user-defined relationships among them. In our previous works, we proposed two separate frameworks for these three purposes; one works for the first two, and the other for the last. Here we will propose a unified framework for these three purposes, as well as its detailed internal mechanisms. Then we show how it can be easily applied to various legacy Web applications to develop innovative services.

Many vendors or producers of consumer electronics provide web services for collecting data from consumer devices or accessing it from web applications. In this paper, we develop an approach for supporting users of consumer devices in building customized applications on demand. We use Webble technology, a component-based middleware system, as a base technology for distribution of visual components. Users can reuse web services that are connected to data or devices by wrapping those web services as visual components. We demonstrate the potential of the approach with an application example with real world consumer web services.

Game-based learning has a certain potential in the domain of the technological enhanced learning. On the other hand, the advantages of an adaptive system is obvious especially in the educational domain. The process of learning can be improved if a serious game can adapt to the needs, preferences and behavior of the players or the needs of educational experts. However, it is hard to realize highly effective adaptive game because it is difficult for educational experts to realize their didactic ideas directly in the system. In the design phase of the serious game development, storyboards are used as specifications of player experience. In this paper, we describe how adaptive behaviors are implemented in a serious game with the storyboard interpretation technology, with which non-programmers can modify the game system behaviors. To make a system adaptive, the system must learn about the users, build up a user model, and then react or change the system behavior according to the user model. To realize these functionalities in a serious game, we use the Inventory of Learning Styles (LSI) as a user model and the storyboarding to describe different system behaviors depending on the modeled user profiles. Taking a large-scale training applications in the training of disaster management staff as an example, we show how different system behaviors are represented in a storyboard. Through the description of the example, we show that storyboard is an effective tool to change the learning environment for educational experts who are not familiar with programming language.

Storyboards are used as specifications of anticipated media experience. For the sake of performance or production of conventional media such as theater and film, storyboards are interpreted by actors who behave accordingly. Particular parts of the specification are technically implemented, for instance, by lighting technicians and cinematographers. Storyboards intended to anticipate technology enhanced experiences like in e-learning or game playing are interpreted by system developers aiming at implementations of systems allowing for the focused experiences. The implementation of storyboards is an ambiguous and error-prone process. If storyboards are directed graphs completely specifying the intended system behavior, one may drop the process of storyboard implementation and, instead, develop the game to become an interpreter running on the digital storyboard at playtime.

Meme media technology is developed for provoking and supporting the evolution of knowledge on computers and the Internet. With the development of World Wide Web, the Web comes to have elemental functionalities for realizing meme media-based knowledge evolution. Webble World, the latest meme media platform, was implemented for seamless integration of meme media technology into the modern Web technologies. However, because it works on a browser plugin, it is slightly getting detached from other Web-related technologies. To achieve more seamless integration, we explore the possibility of developing a meme media platform with pure Web technologies. First, we look back on the original meme media architecture to understand what is necessary to implement the platform. Then, we pick up a JavaScript framework for building structured Web applications, called AngularJS. Consequently, we develop a prototypical implementation of a meme media platform and some example meme media objects on the platform. Because the platform is implemented only with HTML and pure JavaScript, it works on modern Web browsers that support the latest HTML5 and JavaScript specifications.

Game-Based Learning is a modern field of technology-enhanced learning covering several sub-fields such as game-based training. Learning, in general, and training, in particular, may be enormously more effective, if the process adapts to the particular needs of the human learner or trainee. The crux is that an e-learning system, in general, or a game deployed for learning resp. training, in particular, for being able to adapt needs to learn about the needs and desires of the human addressee. Essentially, adaptive systems are learning systems. Consequently, the design of any adaptive training systems requires an anticipation, first, of when and how to learn about the human trainee and, second, of when and how to adapt to the human trainee’s particular needs and desires hypothesized. When game-based learning and/or training goals and tasks are ambitious, related systems are easily becoming complex. Storyboarding is the methodology of the systematic reliable design of involved game-based training applications. The work reported has been developed for and is deployed by a governmental agency in charge of training executive staff in disaster management.

Disaster management is a very important field of civil protection. For effective protection of the population, some governmental institutions or agencies provide training in crisis management teams. An important aspect of working in a crisis management team is managing and presenting information on the current situation. It is difficult to learn the practical implementation of the information representation only from such short term training opportunities. A preliminary Web-based practice of the workflow within a realistic situation will help to solve the problem and increase the quality of the training. This paper discusses the possibility of building such a Web-based training environment for teaching and learning the situation map which is powered by the Webble technology.

Webbles are the most recent form of IntelligentPad. Webbles are objects in a browser window that allow for direct manipulation by drag and drop. One may pick up any Webble and move it over any other one for operational combination. The new Webble is plugged into the previous one and data between them flow through predefined slots. Human users may freely reconfigure the slot connections of Webbles as necessary. Within the authors' adaptive interactive dynamic atlas project, historians have the historical data literally at their fingertips. Historical data have some visual appearance on the screen and may be directly manipulated by actions such as drag and drop. The professional research interface is accessible via any Web browser and, thus, allows for participation of a wide audience. Contemporary technologies are bringing science to private homes where families may playfully explore history in manifold ways.

Digital games are powerful learning tools with significant potential for providing new learning opportunities. Disasters and accidents are a part of life. Usually we get to know about them in the news, but sometimes we have to face them becoming part of our own lives. Trained and organized help and rescue services are prepared and ready, but those professionals need some time before they can start to work at the place of action. That gap needs to be be bridged using everyone's own knowledge and abilities. In this paper, we introduce the overview of the TraSt project, a digital game in development for which the authors of this paper see great potential to sensibilize the general public for the preparation of crisis and emergency management.

Webble Technology is the most recent form of Intelligent Pad. Webbles are objects in a browser window that allow for direct manipulation by drag and drop. One may pick up any Webble and move it over any other one for operational combination. The new Webble is plugged into the previous one and data between them flow through predefined slots. Human users may reconfigure the slot connections of Webbles as necessary. The technology is ready to deal with a great multiplicity of media ranging from text, audio, pictures and video through building blocks of interactive laboratories to highly abstract objects such as decision trees and partial recursive functions. This makes Webbles particularly appropriate for e-learning. The paper aims at an intense workshop discussion of the reach of the technology putting emphasis on the didactic potential of directly manipulating a manifold of digital media types.

Memetics is an approach to interpret, understand and possibly manage communication and knowledge evolution in a Darwinistic way. Meme Media are implementing Memetics. Intelligent Pad has been the earliest Meme Media middleware. Webble Technology is the most recent form of Intelligent Pad. Webbles are objects in a browser window that allow for direct manipulation by drag and drop. One may pick up any Webble and move it over any other one for operational combination. The new Webble is plugged into the previous one and data between them flow through predefined slots. Human users may reconfigure the slot connections of Webbles as desired. The concepts and the technology are setting the stage for new ways of human communication including playful learning. Webbles at the human users' fingertips allow for exploration and explanation by direct manipulation, for collaboration as well as for competition, and for trial and error investigation.

A spreadsheet is one of the most widely used applications by office workers. It provides an end user, with a programming environment. In this chapter, the authors propose a spreadsheet-based environment in which end users can orchestrate multiple Web applications. First, the authors provide a method for embedding various Web resources in spreadsheet cells as visual components that can be reused on the spreadsheet. Second, they propose a method by which these embedded components can be accessed by using special functions via the formula language. Third, they present these special functions to describe loop structures. Their approach enables users to define the complex coordination of multiple Web applications on the spreadsheet using its formula language. Further, they describe their prototype implementation, which uses Microsoft Excel and its user interface support to utilize the embedded Web applications.

Publisher Summary This chapter introduces C3W, a prototype that supports users in creating custom interfaces for accessing information through Web applications. Many applications provide a form-like interface for requesting information: the user fills in some fields, submits the form, and the application presents corresponding results. Such a procedure becomes burdensome if the user must submit many different requests, for example, in pursuing a trial-and-error search; results from one application are to be used as inputs for another, requiring the user to transfer them by hand, or the user wants to compare results, but only the results from one request can be seen at a time. We describe how users can reduce this burden by creating custom interfaces using three mechanisms: clipping of input and result elements from existing applications to form cells on a spreadsheet; connecting these cells using formulas, thus enabling result transfer between applications; and cloning cells so that multiple requests can be handled side by side. Discussion also demonstrates a prototype of these mechanisms, initially specialized for handling Web applications, and show how it lets users to build new interfaces to suit their individual needs. All the previously mentioned development directions will naturally need to be backed up with user evaluations.

Note taking is known to be an essential activity in human learning and the skill of note taking has been identified as a key prerequisite to successful learning. However, in all contemporary systems of technology enhanced learning, the note taking is only marginal. Technological support is usually insufficient and it is not uncommon that learners at a computer take notes with pen and paper. Hypermedia Note Taking is changing e-learning. The technological interaction quality enabled by meme media implementations is offering sufficient advantages to leverage note taking in the future of technology enhanced learning.

The RecipeSheet is a spreadsheet-inspired environment for building applications that support the parallel, side-by-side exploration of alternative processing results. Our early investigations suggest that such an environment can be valuable for educational activities in which a student's understanding of some topic would be improved by being able to explore and compare many alternative cases. In this paper, oriented towards readers who are familiar with the Squeak environment on which the RecipeSheet has been built, we explain and illustrate the facilities available to end users for building their own applications. This is a step towards a release of the RecipeSheet to the community of educators who are excited by the general promise of Squeak, and the various kinds of tool that can be built with it.

This paper first clarifies two major difficulties that prevents our maximum utilization of web resources; the difficulty to find appropriate ones, and the difficulty to make them work together. It focuses on the latter problem, and proposes ad hocknowledge federation technologies as key technologies for its solution. Then it reviews our group's 15 year research on meme media, as well as his 6 year research on their application to ad hocknowledge federation of web resources. Then it proposes an extension of the Web to the memetic Web. This extension is brought by the recent significant revision of the 2D meme media architecture. Finally it shows some new applications of these technologies.

We propose a spreadsheet-based visualization framework for end-users to generate and modify multiple 3D visualizations of data-sets from various Web resources. In this paper, first, we provide a 3D component-based access mechanism to Web resources. It allows users to access various Web resources using only 3D visual components interactively. Second, we provide an interactive 3D visualization mechanism. It enables users to construct multiple 3D visualizations of data-sets from various Web resources just by combining 3D visual components. Third, we provide 2D components for communicating between a spreadsheet and 3D components. Users can export necessary functions of 3D components and define synchronization between these components and cells on a spreadsheet. A spreadsheet environment allows us to define relationships among cells, and copy these relationships through a copy and paste manipulation. By using these mechanisms, users can create multiple visualizations in parallel in order to compare different visualization results simultaneously for different visualization parameters just through a user's direct manipulation.

This paper proposes a new framework for organizing and accessing Web resources using loci defined on arbitrary Web documents. Our framework allows users to store Web resources in user-specified loci on a Web document to define a relation among them. This relation is retained as a set of tuples in a table called a Topica table. When users access such a locus, the resources associated with this locus are presented on the display screen. Each locus is associated with an attribute of the Topica table associated with this document. Our framework enables users to dynamically define such loci, called topoi, on arbitrary Web documents, and to input and/or output tuples of Web resources to and from a set of topoi defined on each of these Web documents. In addition, we propose a mechanism to access multiple related resources using a history of users' navigation through such documents.

E-learning deals with knowledge management, for sure, and knowledge management very frequently results in learning. So far, there is an obviously close relationship between the two disciplines. However, deeper insights do not arise easily. Here we investigate how one approach to enhancing information-access interfaces may inspire an improvement in knowledge management for e-learning. Subjunctive interfaces support users in investigating and visualizing information obtained in parallel through multiple enquiries. A wide spectrum of exploratory e-learning approaches may benefit from adopting and adapting the subjunctive interface concept.

Although Web technologies enabled us to publish and to browse intellectual resources, they do not enable people to reedit and redistribute intellectual resources, including not only documents but also tools and services, published in the Web. Meme media technologies were proposed to solve this problem, and to accelerate the evolution of intellectual resources accumulated over the Web. Meme media technologies will make the Web work as a pervasive computing environment, i.e., an open system of computing resources in which users can dynamically select and interoperate some of these computing resources to perform their jobs satisfying their dynamically changing demands. Federation denotes ad hoc definition and/or execution of interoperation among computing resources that are not a priori assumed to interoperate with each other. We define knowledge federation as federation of computing resources published in the form of documents. This paper reviews and reinterprets meme media technologies from a new view point of knowledge federation over the Web and pervasive computing environments. It focuses on the following four aspects of meme media technologies: (1) media architectures for reediting and redistributing intellectual resources, (2) client-side middleware technologies for application frameworks, (3) view integration technologies for the interoperation and graphical integration of legacy applications, and (4) knowledge federation technologies for pervasive computing environments.

While the current Web technologies have allowed us to publish intellectual assets in world-wide repositories, to browse their huge accumulation, and to download some assets, we have no good tools yet to flexibly re-edit and redistribute such intellectual assets for their reuse in different contexts. This paper reviews the IntelligentPad and Intelligent-Box meme media architectures together with their potential applications, proposes both the use of XML/XSL or XHTML to define pads, and a world-wide web of meme pools. When applied to Web documents and services, meme media and meme pool technologies allow us to annotate Web pages with any types of meme media objects, and to extract and make any portions of them work as meme media objects. We can functionally combine such extracted meme media objects with each other or with other application meme media objects, and redistribute composite meme media objects for their further reuses by other people.

Many of today's Web applications support just simple trial-and error retrievals: supply one set of parameters, obtain one set of results. For a user who wants to examine a number of alternative retrievals, this form of interaction is inconvenient and frustrating. It can be hard work to keep finding and adjusting the parameter specification widgets buried in a Web page, and to remember or record each result set. Moreover, when using diverse Web applicationsin combination - transferring result data from one into the parameters for another - the lack of an easy way to automate that transfer merely increases the frustration. Our solution is to integrate techniques for each of three key activities: clipping elements from Web pages to wrap an application; connecting wrapped applications using spreadsheet-like formulas; and cloning the interfaceelements so that several sets of parameters and results may behandled in parallel. We describe a prototype that implements this solution, showing how it enables rapid and flexible exploration ofthe resources accessible through user-chosen combinations of Web applications. Our aim in this work is to contribute to research on making optimal use of the wealth of information on the Web, by providing interaction techniques that address very practical needs.