A MULTI-FUNCTIONAL PROVENANCE ARCHITECTURE: CHALLENGES AND SOLUTIONS

In service-oriented environments, services are put together in the form of a workflow with the aim of distributed problem solving. Capturing the execution details of the services' transformations is a significant advantage of using workflows. These execution details, referred to as provenance information, are usually traced automatically and stored in provenance stores. Provenance data contains the data recorded by a workflow engine during a workflow execution. It identifies what data is passed between services, which services are involved, and how results are eventually generated for particular sets of input values. Provenance information is of great importance and has found its way through areas in computer science such as: Bioinformatics, database, social, sensor networks, etc. Current exploitation and application of provenance data is very limited as provenance systems started being developed for specific applications. Thus, applying learning and knowledge discovery methods to provenance data can provide rich and useful information on workflows and services. Therefore, in this work, the challenges with workflows and services are studied to discover the possibilities and benefits of providing solutions by using provenance data. A multifunctional architecture is presented which addresses the workflow and service issues by exploiting provenance data. These challenges include workflow composition, abstract workflow selection, refinement, evaluation, and graph model extraction. The specific contribution of the proposed architecture is its novelty in providing a basis for taking advantage of the previous execution details of services and workflows along with artificial intelligence and knowledge management techniques to resolve the major challenges regarding workflows. The presented architecture is application-independent and could be deployed in any area. The requirements for such an architecture along with its building components are discussed. Furthermore, the responsibility of the components, related works and the implementation details of the architecture along with each component are presented

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Chemistry and materials science are complex. Recently, there have been great successes in addressing this complexity using data-driven or computational techniques. Yet, the necessity of input structured in very specific forms and the fact that there is an ever-growing number of tools creates usability and accessibility challenges. Coupled with the reality that much data in these disciplines is unstructured, the effectiveness of these tools is limited. Motivated by recent works that indicated that large language models (LLMs) might help address some of these issues, we organized a hackathon event on the applications of LLMs in chemistry, materials science, and beyond. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines

Emerging multidisciplinary research across database management systems

The database community is exploring more and more multidisciplinary avenues: Data semantics overlaps with ontology management; reasoning tasks venture into the domain of artificial intelligence; and data stream management and information retrieval shake hands, e.g., when processing Web click-streams. These new research avenues become evident, for example, in the topics that doctoral students choose for their dissertations. This paper surveys the emerging multidisciplinary research by doctoral students in database systems and related areas. It is based on the PIKM 2010, which is the 3rd Ph.D. workshop at the International Conference on Information and Knowledge Management (CIKM). The topics addressed include ontology development, data streams, natural language processing, medical databases, green energy, cloud computing, and exploratory search. In addition to core ideas from the workshop, we list some open research questions in these multidisciplinary areas

Work flows in life science

The introduction of computer science technology in the life science domain has resulted in a new life science discipline called bioinformatics. Bioinformaticians are biologists who know how to apply computer science technology to perform computer based experiments, also known as in-silico or dry lab experiments. Various tools, such as databases, web applications and scripting languages, are used to design and run in-silico experiments. As the size and complexity of these experiments grow, new types of tools are required to design and execute the experiments and to analyse the results. Workflow systems promise to fulfill this role. The bioinformatician composes an experiment by using tools and web services as building blocks, and connecting them, often through a graphical user interface. Workflow systems, such as Taverna, provide access to up to a few thousand resources in a uniform way. Although workflow systems are intended to make the bioinformaticians' work easier, bioinformaticians experience difficulties in using them. This thesis is devoted to find out which problems bioinformaticians experience using workflow systems and to provide solutions for these problems.\u

Emerging multidisciplinary research across database management systems

The database community is exploring more and more multidisciplinary avenues: Data semantics overlaps with ontology management; reasoning tasks venture into the domain of artificial intelligence; and data stream management and information retrieval shake hands, e.g., when processing Web click-streams. These new research avenues become evident, for example, in the topics that doctoral students choose for their dissertations. This paper surveys the emerging multidisciplinary research by doctoral students in database systems and related areas. It is based on the PIKM 2010, which is the 3rd Ph.D. workshop at the International Conference on Information and Knowledge Management (CIKM). The topics addressed include ontology development, data streams, natural language processing, medical databases, green energy, cloud computing, and exploratory search. In addition to core ideas from the workshop, we list some open research questions in these multidisciplinary areas

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines

Intelligent monitoring of business processes using case-based reasoning

The work in this thesis presents an approach towards the effective monitoring of business processes using Case-Based Reasoning (CBR). The rationale behind this research was that business processes constitute a fundamental concept of the modern world and there is a constantly emerging need for their efficient control. They can be efficiently represented but not necessarily monitored and diagnosed effectively via an appropriate platform. Motivated by the above observation this research pursued to which extent there can be efficient monitoring, diagnosis and explanation of the workflows. Workflows and their effective representation in terms of CBR were investigated as well as how similarity measures among them could be established appropriately. The monitoring results and their following explanation to users were questioned as well as which should be an appropriate software architecture to allow monitoring of workflow executions. Throughout the progress of this research, several sets of experiments have been conducted using existing enterprise systems which are coordinated via a predefined workflow business process. Past data produced over several years have been used for the needs of the conducted experiments. Based on those the necessary knowledge repositories were built and used afterwards in order to evaluate the suggesting approach towards the effective monitoring and diagnosis of business processes. The produced results show to which extent a business process can be monitored and diagnosed effectively. The results also provide hints on possible changes that would maximize the accuracy of the actual monitoring, diagnosis and explanation. Moreover the presented approach can be generalised and expanded further to enterprise systems that have as common characteristics a possible workflow representation and the presence of uncertainty. Further work motivated by this thesis could investigate how the knowledge acquisition can be transferred over workflow systems and be of benefit to large-scale multidimensional enterprises. Additionally the temporal uncertainty could be investigated further, in an attempt to address it while reasoning. Finally the provenance of cases and their solutions could be explored further, identifying correlations with the process of reasoning