A Process Model for the Integrated Reasoning about Quantitative IT Infrastructure Attributes

IT infrastructures can be quantitatively described by attributes, like performance or energy efficiency. Ever-changing user demands and economic attempts require varying short-term and long-term decisions regarding the alignment of an IT infrastructure and particularly its attributes to this dynamic surrounding. Potentially conflicting attribute goals and the central role of IT infrastructures presuppose decision making based upon reasoning, the process of forming inferences from facts or premises. The focus on specific IT infrastructure parts or a fixed (small) attribute set disqualify existing reasoning approaches for this intent, as they neither cover the (complex) interplay of all IT infrastructure components simultaneously, nor do they address inter- and intra-attribute correlations sufficiently. This thesis presents a process model for the integrated reasoning about quantitative IT infrastructure attributes. The process model’s main idea is to formalize the compilation of an individual reasoning function, a mathematical mapping of parametric influencing factors and modifications on an attribute vector. Compilation bases upon model integration to benefit from the multitude of existing specialized, elaborated, and well-established attribute models. The achieved reasoning function consumes an individual tuple of IT infrastructure components, attributes, and external influencing factors to expose a broad applicability. The process model formalizes a reasoning intent in three phases. First, reasoning goals and parameters are collected in a reasoning suite, and formalized in a reasoning function skeleton. Second, the skeleton is iteratively refined, guided by the reasoning suite. Third, the achieved reasoning function is employed for What-if analyses, optimization, or descriptive statistics to conduct the concrete reasoning. The process model provides five template classes that collectively formalize all phases in order to foster reproducibility and to reduce error-proneness. Process model validation is threefold. A controlled experiment reasons about a Raspberry Pi cluster’s performance and energy efficiency to illustrate feasibility. Besides, a requirements analysis on a world-class supercomputer and on the European-wide execution of hydro meteorology simulations as well as a related work examination disclose the process model’s level of innovation. Potential future work employs prepared automation capabilities, integrates human factors, and uses reasoning results for the automatic generation of modification recommendations.IT-Infrastrukturen können mit Attributen, wie Leistung und Energieeffizienz, quantitativ beschrieben werden. Nutzungsbedarfsänderungen und ökonomische Bestrebungen erfordern Kurz- und Langfristentscheidungen zur Anpassung einer IT-Infrastruktur und insbesondere ihre Attribute an dieses dynamische Umfeld. Potentielle Attribut-Zielkonflikte sowie die zentrale Rolle von IT-Infrastrukturen erfordern eine Entscheidungsfindung mittels Reasoning, einem Prozess, der Rückschlüsse (rein) aus Fakten und Prämissen zieht. Die Fokussierung auf spezifische Teile einer IT-Infrastruktur sowie die Beschränkung auf (sehr) wenige Attribute disqualifizieren bestehende Reasoning-Ansätze für dieses Vorhaben, da sie weder das komplexe Zusammenspiel von IT-Infrastruktur-Komponenten, noch Abhängigkeiten zwischen und innerhalb einzelner Attribute ausreichend berücksichtigen können. Diese Arbeit präsentiert ein Prozessmodell für das integrierte Reasoning über quantitative IT-Infrastruktur-Attribute. Die grundlegende Idee des Prozessmodells ist die Herleitung einer individuellen Reasoning-Funktion, einer mathematischen Abbildung von Einfluss- und Modifikationsparametern auf einen Attributvektor. Die Herleitung basiert auf der Integration bestehender (Attribut-)Modelle, um von deren Spezialisierung, Reife und Verbreitung profitieren zu können. Die erzielte Reasoning-Funktion verarbeitet ein individuelles Tupel aus IT-Infrastruktur-Komponenten, Attributen und externen Einflussfaktoren, um eine breite Anwendbarkeit zu gewährleisten. Das Prozessmodell formalisiert ein Reasoning-Vorhaben in drei Phasen. Zunächst werden die Reasoning-Ziele und -Parameter in einer Reasoning-Suite gesammelt und in einem Reasoning-Funktions-Gerüst formalisiert. Anschließend wird das Gerüst entsprechend den Vorgaben der Reasoning-Suite iterativ verfeinert. Abschließend wird die hergeleitete Reasoning-Funktion verwendet, um mittels “What-if”–Analysen, Optimierungsverfahren oder deskriptiver Statistik das Reasoning durchzuführen. Das Prozessmodell enthält fünf Template-Klassen, die den Prozess formalisieren, um Reproduzierbarkeit zu gewährleisten und Fehleranfälligkeit zu reduzieren. Das Prozessmodell wird auf drei Arten validiert. Ein kontrolliertes Experiment zeigt die Durchführbarkeit des Prozessmodells anhand des Reasonings zur Leistung und Energieeffizienz eines Raspberry Pi Clusters. Eine Anforderungsanalyse an einem Superrechner und an der europaweiten Ausführung von Hydro-Meteorologie-Modellen erläutert gemeinsam mit der Betrachtung verwandter Arbeiten den Innovationsgrad des Prozessmodells. Potentielle Erweiterungen nutzen die vorbereiteten Automatisierungsansätze, integrieren menschliche Faktoren, und generieren Modifikationsempfehlungen basierend auf Reasoning-Ergebnissen

Computer Aided Synthesis Prediction to Enable Augmented Chemical Discovery and Chemical Space Exploration

The drug-like chemical space is estimated to be 10 to the power of 60 molecules, and the largest generated database (GDB) obtained by the Reymond group is 165 billion molecules with up to 17 heavy atoms. Furthermore, deep learning techniques to explore regions of chemical space are becoming more popular. However, the key to realizing the generated structures experimentally lies in chemical synthesis. The application of which was previously limited to manual planning or slow computer assisted synthesis planning (CASP) models. Despite the 60-year history of CASP few synthesis planning tools have been open-sourced to the community. In this thesis I co-led the development of and investigated one of the only fully open-source synthesis planning tools called AiZynthFinder, trained on both public and proprietary datasets consisting of up to 17.5 million reactions. This enables synthesis guided exploration of the chemical space in a high throughput manner, to bridge the gap between compound generation and experimental realisation. I firstly investigate both public and proprietary reaction data, and their influence on route finding capability. Furthermore, I develop metrics for assessment of retrosynthetic prediction, single-step retrosynthesis models, and automated template extraction workflows. This is supplemented by a comparison of the underlying datasets and their corresponding models. Given the prevalence of ring systems in the GDB and wider medicinal chemistry domain, I developed ‘Ring Breaker’ - a data-driven approach to enable the prediction of ring-forming reactions. I demonstrate its utility on frequently found and unprecedented ring systems, in agreement with literature syntheses. Additionally, I highlight its potential for incorporation into CASP tools, and outline methodological improvements that result in the improvement of route-finding capability. To tackle the challenge of model throughput, I report a machine learning (ML) based classifier called the retrosynthetic accessibility score (RAscore), to assess the likelihood of finding a synthetic route using AiZynthFinder. The RAscore computes at least 4,500 times faster than AiZynthFinder. Thus, opens the possibility of pre-screening millions of virtual molecules from enumerated databases or generative models for synthesis informed compound prioritization. Finally, I combine chemical library visualization with synthetic route prediction to facilitate experimental engagement with synthetic chemists. I enable the navigation of chemical property space by using interactive visualization to deliver associated synthetic data as endpoints. This aids in the prioritization of compounds. The ability to view synthetic route information alongside structural descriptors facilitates a feedback mechanism for the improvement of CASP tools and enables rapid hypothesis testing. I demonstrate the workflow as applied to the GDB databases to augment compound prioritization and synthetic route design

Advanced Threat Intelligence: Interpretation of Anomalous Behavior in Ubiquitous Kernel Processes

Targeted attacks on digital infrastructures are a rising threat against the confidentiality, integrity, and availability of both IT systems and sensitive data. With the emergence of advanced persistent threats (APTs), identifying and understanding such attacks has become an increasingly difficult task. Current signature-based systems are heavily reliant on fixed patterns that struggle with unknown or evasive applications, while behavior-based solutions usually leave most of the interpretative work to a human analyst. This thesis presents a multi-stage system able to detect and classify anomalous behavior within a user session by observing and analyzing ubiquitous kernel processes. Application candidates suitable for monitoring are initially selected through an adapted sentiment mining process using a score based on the log likelihood ratio (LLR). For transparent anomaly detection within a corpus of associated events, the author utilizes star structures, a bipartite representation designed to approximate the edit distance between graphs. Templates describing nominal behavior are generated automatically and are used for the computation of both an anomaly score and a report containing all deviating events. The extracted anomalies are classified using the Random Forest (RF) and Support Vector Machine (SVM) algorithms. Ultimately, the newly labeled patterns are mapped to a dedicated APT attacker–defender model that considers objectives, actions, actors, as well as assets, thereby bridging the gap between attack indicators and detailed threat semantics. This enables both risk assessment and decision support for mitigating targeted attacks. Results show that the prototype system is capable of identifying 99.8% of all star structure anomalies as benign or malicious. In multi-class scenarios that seek to associate each anomaly with a distinct attack pattern belonging to a particular APT stage we achieve a solid accuracy of 95.7%. Furthermore, we demonstrate that 88.3% of observed attacks could be identified by analyzing and classifying a single ubiquitous Windows process for a mere 10 seconds, thereby eliminating the necessity to monitor each and every (unknown) application running on a system. With its semantic take on threat detection and classification, the proposed system offers a formal as well as technical solution to an information security challenge of great significance.The financial support by the Christian Doppler Research Association, the Austrian Federal Ministry for Digital and Economic Affairs, and the National Foundation for Research, Technology and Development is gratefully acknowledged

A Process Model for the Integrated Reasoning about Quantitative IT Infrastructure Attributes

IT infrastructures can be quantitatively described by attributes, like performance or energy efficiency. Ever-changing user demands and economic attempts require varying short-term and long-term decisions regarding the alignment of an IT infrastructure and particularly its attributes to this dynamic surrounding. Potentially conflicting attribute goals and the central role of IT infrastructures presuppose decision making based upon reasoning, the process of forming inferences from facts or premises. The focus on specific IT infrastructure parts or a fixed (small) attribute set disqualify existing reasoning approaches for this intent, as they neither cover the (complex) interplay of all IT infrastructure components simultaneously, nor do they address inter- and intra-attribute correlations sufficiently. This thesis presents a process model for the integrated reasoning about quantitative IT infrastructure attributes. The process model’s main idea is to formalize the compilation of an individual reasoning function, a mathematical mapping of parametric influencing factors and modifications on an attribute vector. Compilation bases upon model integration to benefit from the multitude of existing specialized, elaborated, and well-established attribute models. The achieved reasoning function consumes an individual tuple of IT infrastructure components, attributes, and external influencing factors to expose a broad applicability. The process model formalizes a reasoning intent in three phases. First, reasoning goals and parameters are collected in a reasoning suite, and formalized in a reasoning function skeleton. Second, the skeleton is iteratively refined, guided by the reasoning suite. Third, the achieved reasoning function is employed for What-if analyses, optimization, or descriptive statistics to conduct the concrete reasoning. The process model provides five template classes that collectively formalize all phases in order to foster reproducibility and to reduce error-proneness. Process model validation is threefold. A controlled experiment reasons about a Raspberry Pi cluster’s performance and energy efficiency to illustrate feasibility. Besides, a requirements analysis on a world-class supercomputer and on the European-wide execution of hydro meteorology simulations as well as a related work examination disclose the process model’s level of innovation. Potential future work employs prepared automation capabilities, integrates human factors, and uses reasoning results for the automatic generation of modification recommendations.IT-Infrastrukturen können mit Attributen, wie Leistung und Energieeffizienz, quantitativ beschrieben werden. Nutzungsbedarfsänderungen und ökonomische Bestrebungen erfordern Kurz- und Langfristentscheidungen zur Anpassung einer IT-Infrastruktur und insbesondere ihre Attribute an dieses dynamische Umfeld. Potentielle Attribut-Zielkonflikte sowie die zentrale Rolle von IT-Infrastrukturen erfordern eine Entscheidungsfindung mittels Reasoning, einem Prozess, der Rückschlüsse (rein) aus Fakten und Prämissen zieht. Die Fokussierung auf spezifische Teile einer IT-Infrastruktur sowie die Beschränkung auf (sehr) wenige Attribute disqualifizieren bestehende Reasoning-Ansätze für dieses Vorhaben, da sie weder das komplexe Zusammenspiel von IT-Infrastruktur-Komponenten, noch Abhängigkeiten zwischen und innerhalb einzelner Attribute ausreichend berücksichtigen können. Diese Arbeit präsentiert ein Prozessmodell für das integrierte Reasoning über quantitative IT-Infrastruktur-Attribute. Die grundlegende Idee des Prozessmodells ist die Herleitung einer individuellen Reasoning-Funktion, einer mathematischen Abbildung von Einfluss- und Modifikationsparametern auf einen Attributvektor. Die Herleitung basiert auf der Integration bestehender (Attribut-)Modelle, um von deren Spezialisierung, Reife und Verbreitung profitieren zu können. Die erzielte Reasoning-Funktion verarbeitet ein individuelles Tupel aus IT-Infrastruktur-Komponenten, Attributen und externen Einflussfaktoren, um eine breite Anwendbarkeit zu gewährleisten. Das Prozessmodell formalisiert ein Reasoning-Vorhaben in drei Phasen. Zunächst werden die Reasoning-Ziele und -Parameter in einer Reasoning-Suite gesammelt und in einem Reasoning-Funktions-Gerüst formalisiert. Anschließend wird das Gerüst entsprechend den Vorgaben der Reasoning-Suite iterativ verfeinert. Abschließend wird die hergeleitete Reasoning-Funktion verwendet, um mittels “What-if”–Analysen, Optimierungsverfahren oder deskriptiver Statistik das Reasoning durchzuführen. Das Prozessmodell enthält fünf Template-Klassen, die den Prozess formalisieren, um Reproduzierbarkeit zu gewährleisten und Fehleranfälligkeit zu reduzieren. Das Prozessmodell wird auf drei Arten validiert. Ein kontrolliertes Experiment zeigt die Durchführbarkeit des Prozessmodells anhand des Reasonings zur Leistung und Energieeffizienz eines Raspberry Pi Clusters. Eine Anforderungsanalyse an einem Superrechner und an der europaweiten Ausführung von Hydro-Meteorologie-Modellen erläutert gemeinsam mit der Betrachtung verwandter Arbeiten den Innovationsgrad des Prozessmodells. Potentielle Erweiterungen nutzen die vorbereiteten Automatisierungsansätze, integrieren menschliche Faktoren, und generieren Modifikationsempfehlungen basierend auf Reasoning-Ergebnissen

ICSEA 2022: the seventeenth international conference on software engineering advances

The Seventeenth International Conference on Software Engineering Advances (ICSEA 2022), held between October 16th and October 20th, 2022, continued a series of events covering a broad spectrum of software-related topics. The conference covered fundamentals on designing, implementing, testing, validating and maintaining various kinds of software. Several tracks were proposed to treat the topics from theory to practice, in terms of methodologies, design, implementation, testing, use cases, tools, and lessons learned. The conference topics covered classical and advanced methodologies, open source, agile software, as well as software deployment and software economics and education. Other advanced aspects are related to on-time practical aspects, such as run-time vulnerability checking, rejuvenation process, updates partial or temporary feature deprecation, software deployment and configuration, and on-line software updates. These aspects trigger implications related to patenting, licensing, engineering education, new ways for software adoption and improvement, and ultimately, to software knowledge management. There are many advanced applications requiring robust, safe, and secure software: disaster recovery applications, vehicular systems, biomedical-related software, biometrics related software, mission critical software, E-health related software, crisis-situation software. These applications require appropriate software engineering techniques, metrics and formalisms, such as, software reuse, appropriate software quality metrics, composition and integration, consistency checking, model checking, provers and reasoning. The nature of research in software varies slightly with the specific discipline researchers work in, yet there is much common ground and room for a sharing of best practice, frameworks, tools, languages and methodologies. Despite the number of experts we have available, little work is done at the meta level, that is examining how we go about our research, and how this process can be improved. There are questions related to the choice of programming language, IDEs and documentation styles and standard. Reuse can be of great benefit to research projects yet reuse of prior research projects introduces special problems that need to be mitigated. The research environment is a mix of creativity and systematic approach which leads to a creative tension that needs to be managed or at least monitored. Much of the coding in any university is undertaken by research students or young researchers. Issues of skills training, development and quality control can have significant effects on an entire department. In an industrial research setting, the environment is not quite that of industry as a whole, nor does it follow the pattern set by the university. The unique approaches and issues of industrial research may hold lessons for researchers in other domains. We take here the opportunity to warmly thank all the members of the ICSEA 2022 technical program committee, as well as all the reviewers. The creation of such a high-quality conference program would not have been possible without their involvement. We also kindly thank all the authors who dedicated much of their time and effort to contribute to ICSEA 2022. We truly believe that, thanks to all these efforts, the final conference program consisted of top-quality contributions. We also thank the members of the ICSEA 2022 organizing committee for their help in handling the logistics of this event. We hope that ICSEA 2022 was a successful international forum for the exchange of ideas and results between academia and industry and for the promotion of progress in software engineering advances

Efficiency and Automation in Threat Analysis of Software Systems

Context: Security is a growing concern in many organizations. Industries developing software systems plan for security early-on to minimize expensive code refactorings after deployment. In the design phase, teams of experts routinely analyze the system architecture and design to find potential security threats and flaws. After the system is implemented, the source code is often inspected to determine its compliance with the intended functionalities. Objective: The goal of this thesis is to improve on the performance of security design analysis techniques (in the design and implementation phases) and support practitioners with automation and tool support.Method: We conducted empirical studies for building an in-depth understanding of existing threat analysis techniques (Systematic Literature Review, controlled experiments). We also conducted empirical case studies with industrial participants to validate our attempt at improving the performance of one technique. Further, we validated our proposal for automating the inspection of security design flaws by organizing workshops with participants (under controlled conditions) and subsequent performance analysis. Finally, we relied on a series of experimental evaluations for assessing the quality of the proposed approach for automating security compliance checks. Findings: We found that the eSTRIDE approach can help focus the analysis and produce twice as many high-priority threats in the same time frame. We also found that reasoning about security in an automated fashion requires extending the existing notations with more precise security information. In a formal setting, minimal model extensions for doing so include security contracts for system nodes handling sensitive information. The formally-based analysis can to some extent provide completeness guarantees. For a graph-based detection of flaws, minimal required model extensions include data types and security solutions. In such a setting, the automated analysis can help in reducing the number of overlooked security flaws. Finally, we suggested to define a correspondence mapping between the design model elements and implemented constructs. We found that such a mapping is a key enabler for automatically checking the security compliance of the implemented system with the intended design. The key for achieving this is two-fold. First, a heuristics-based search is paramount to limit the manual effort that is required to define the mapping. Second, it is important to analyze implemented data flows and compare them to the data flows stipulated by the design

Elixir: synthesis of parallel irregular algorithms

Algorithms in new application areas like machine learning and data analytics usually operate on unstructured sparse graphs. Writing efficient parallel code to implement these algorithms is very challenging for a number of reasons. First, there may be many algorithms to solve a problem and each algorithm may have many implementations. Second, synchronization, which is necessary for correct parallel execution, introduces potential problems such as data-races and deadlocks. These issues interact in subtle ways, making the best solution dependent both on the parallel platform and on properties of the input graph. Consequently, implementing and selecting the best parallel solution can be a daunting task for non-experts, since we have few performance models for predicting the performance of parallel sparse graph programs on parallel hardware. This dissertation presents a synthesis methodology and a system, Elixir, that addresses these problems by (i) allowing programmers to specify solutions at a high level of abstraction, and (ii) generating many parallel implementations automatically and using search to find the best one. An Elixir specification consists of a set of operators capturing the main algorithm logic and a schedule specifying how to efficiently apply the operators. Elixir employs sophisticated automated reasoning to merge these two components, and uses techniques based on automated planning to insert synchronization and synthesize efficient parallel code. Experimental evaluation of our approach demonstrates that the performance of the Elixir generated code is competitive to, and can even outperform, hand-optimized code written by expert programmers for many interesting graph benchmarks.Computer Science

Conformance Checking and Simulation-based Evolutionary Optimization for Deployment and Reconfiguration of Software in the Cloud

Many SaaS providers nowadays want to leverage the cloud's capabilities also for their existing applications, for example, to enable sound scalability and cost-effectiveness. This thesis provides the approach CloudMIG that supports SaaS providers to migrate those applications to IaaS and PaaS-based cloud environments. CloudMIG consists of a step-by-step process and focuses on two core components. (1) Restrictions imposed by specific cloud environments (so-called cloud environment constraints (CECs)), such as a limited file system access or forbidden method calls, can be validated by an automatic conformance checking approach. (2) A cloud deployment option (CDO) determines which cloud environment, cloud resource types, deployment architecture, and runtime reconfiguration rules for exploiting a cloud's elasticity should be used. The implied performance and costs can differ in orders of magnitude. CDOs can be automatically optimized with the help of our simulation-based genetic algorithm CDOXplorer. Extensive lab experiments and an experiment in an industrial context show CloudMIG's applicability and the excellent performance of its two core components