Institut für Informatik und Computational Science
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Institute
Large-scale databases that report the inhibitory capacities of many combinations of candidate drug compounds and cultivated cancer cell lines have driven the development of preclinical drug-sensitivity models based on machine learning. However, cultivated cell lines have devolved from human cancer cells over years or even decades under selective pressure in culture conditions. Moreover, models that have been trained on in vitro data cannot account for interactions with other types of cells. Drug-response data that are based on patient-derived cell cultures, xenografts, and organoids, on the other hand, are not available in the quantities that are needed to train high-capacity machine-learning models. We found that pre-training deep neural network models of drug sensitivity on in vitro drug-sensitivity databases before fine-tuning the model parameters on patient-derived data improves the models’ accuracy and improves the biological plausibility of the features, compared to training only on patient-derived data. From our experiments, we can conclude that pre-trained models outperform models that have been trained on the target domains in the vast majority of cases.
Answer Set Programming (ASP) is a paradigm for modeling and solving problems for knowledge representation and reasoning. There are plenty of results dedicated to studying the hardness of (fragments of) ASP. So far, these studies resulted in characterizations in terms of computational complexity as well as in fine-grained insights presented in form of dichotomy-style results, lower bounds when translating to other formalisms like propositional satisfiability (SAT), and even detailed parameterized complexity landscapes. A generic parameter in parameterized complexity originating from graph theory is the socalled treewidth, which in a sense captures structural density of a program. Recently, there was an increase in the number of treewidth-based solvers related to SAT. While there are translations from (normal) ASP to SAT, no reduction that preserves treewidth or at least keeps track of the treewidth increase is known. In this paper we propose a novel reduction from normal ASP to SAT that is aware of the treewidth, and guarantees that a slight increase of treewidth is indeed sufficient. Further, we show a new result establishing that, when considering treewidth, already the fragment of normal ASP is slightly harder than SAT (under reasonable assumptions in computational complexity). This also confirms that our reduction probably cannot be significantly improved and that the slight increase of treewidth is unavoidable. Finally, we present an empirical study of our novel reduction from normal ASP to SAT, where we compare treewidth upper bounds that are obtained via known decomposition heuristics. Overall, our reduction works better with these heuristics than existing translations. (c) 2021 Elsevier B.V. All rights reserved.
The highly structured nature of the educational sector demands effective policy mechanisms close to the needs of the field. That is why evidence-based policy making, endorsed by the European Commission under Erasmus+ Key Action 3, aims to make an alignment between the domains of policy and practice. Against this background, this article addresses two issues: First, that there is a vertical gap in the translation of higher-level policies to local strategies and regulations. Second, that there is a horizontal gap between educational domains regarding the policy awareness of individual players. This was analyzed in quantitative and qualitative studies with domain experts from the fields of virtual mobility and teacher training. From our findings, we argue that the combination of both gaps puts the academic bridge from secondary to tertiary education at risk, including the associated knowledge proficiency levels. We discuss the role of digitalization in the academic bridge by asking the question: which value does the involved stakeholders expect from educational policies? As a theoretical basis, we rely on the model of value co-creation for and by stakeholders. We describe the used instruments along with the obtained results and proposed benefits. Moreover, we reflect on the methodology applied, and we finally derive recommendations for future academic bridge policies.
Accurately solving classification problems nowadays is likely to be the most relevant machine learning task. Binary classification separating two classes only is algorithmically simpler but has fewer potential applications as many real-world problems are multi-class. On the reverse, separating only a subset of classes simplifies the classification task. Even though existing multi-class machine learning algorithms are very flexible regarding the number of classes, they assume that the target set Y is fixed and cannot be restricted once the training is finished. On the other hand, existing state-of-the-art production environments are becoming increasingly interconnected with the advance of Industry 4.0 and related technologies such that additional information can simplify the respective classification problems. In light of this, the main aim of this thesis is to introduce dynamic classification that generalizes multi-class classification such that the target class set can be restricted arbitrarily to a non-empty class subset M of Y at any time between two consecutive predictions.
This task is solved by a combination of two algorithmic approaches. First, classifier calibration, which transforms predictions into posterior probability estimates that are intended to be well calibrated. The analysis provided focuses on monotonic calibration and in particular corrects wrong statements that appeared in the literature. It also reveals that bin-based evaluation metrics, which became popular in recent years, are unjustified and should not be used at all. Next, the validity of Platt scaling, which is the most relevant parametric calibration approach, is analyzed in depth. In particular, its optimality for classifier predictions distributed according to four different families of probability distributions as well its equivalence with Beta calibration up to a sigmoidal preprocessing are proven. For non-monotonic calibration, extended variants on kernel density estimation and the ensemble method EKDE are introduced. Finally, the calibration techniques are evaluated using a simulation study with complete information as well as on a selection of 46 real-world data sets.
Building on this, classifier calibration is applied as part of decomposition-based classification that aims to reduce multi-class problems to simpler (usually binary) prediction tasks. For the involved fusing step performed at prediction time, a new approach based on evidence theory is presented that uses classifier calibration to model mass functions. This allows the analysis of decomposition-based classification against a strictly formal background and to prove closed-form equations for the overall combinations. Furthermore, the same formalism leads to a consistent integration of dynamic class information, yielding a theoretically justified and computationally tractable dynamic classification model. The insights gained from this modeling are combined with pairwise coupling, which is one of the most relevant reduction-based classification approaches, such that all individual predictions are combined with a weight. This not only generalizes existing works on pairwise coupling but also enables the integration of dynamic class information.
Lastly, a thorough empirical study is performed that compares all newly introduced approaches to existing state-of-the-art techniques. For this, evaluation metrics for dynamic classification are introduced that depend on corresponding sampling strategies. Thereafter, these are applied during a three-part evaluation. First, support vector machines and random forests are applied on 26 data sets from the UCI Machine Learning Repository. Second, two state-of-the-art deep neural networks are evaluated on five benchmark data sets from a relatively recent reference work. Here, computationally feasible strategies to apply the presented algorithms in combination with large-scale models are particularly relevant because a naive application is computationally intractable. Finally, reference data from a real-world process allowing the inclusion of dynamic class information are collected and evaluated. The results show that in combination with support vector machines and random forests, pairwise coupling approaches yield the best results, while in combination with deep neural networks, differences between the different approaches are mostly small to negligible. Most importantly, all results empirically confirm that dynamic classification succeeds in improving the respective prediction accuracies. Therefore, it is crucial to pass dynamic class information in respective applications, which requires an appropriate digital infrastructure.
Large-scale databases that report the inhibitory capacities of many combinations of candidate drug compounds and cultivated cancer cell lines have driven the development of preclinical drug-sensitivity models based on machine learning. However, cultivated cell lines have devolved from human cancer cells over years or even decades under selective pressure in culture conditions. Moreover, models that have been trained on in vitro data cannot account for interactions with other types of cells. Drug-response data that are based on patient-derived cell cultures, xenografts, and organoids, on the other hand, are not available in the quantities that are needed to train high-capacity machine-learning models. We found that pre-training deep neural network models of drug sensitivity on in vitro drug-sensitivity databases before fine-tuning the model parameters on patient-derived data improves the models’ accuracy and improves the biological plausibility of the features, compared to training only on patient-derived data. From our experiments, we can conclude that pre-trained models outperform models that have been trained on the target domains in the vast majority of cases.
The highly structured nature of the educational sector demands effective policy mechanisms close to the needs of the field. That is why evidence-based policy making, endorsed by the European Commission under Erasmus+ Key Action 3, aims to make an alignment between the domains of policy and practice. Against this background, this article addresses two issues: First, that there is a vertical gap in the translation of higher-level policies to local strategies and regulations. Second, that there is a horizontal gap between educational domains regarding the policy awareness of individual players. This was analyzed in quantitative and qualitative studies with domain experts from the fields of virtual mobility and teacher training. From our findings, we argue that the combination of both gaps puts the academic bridge from secondary to tertiary education at risk, including the associated knowledge proficiency levels. We discuss the role of digitalization in the academic bridge by asking the question: which value does the involved stakeholders expect from educational policies? As a theoretical basis, we rely on the model of value co-creation for and by stakeholders. We describe the used instruments along with the obtained results and proposed benefits. Moreover, we reflect on the methodology applied, and we finally derive recommendations for future academic bridge policies.
Lehrende in der Lehrkräfteausbildung sind stets damit konfrontiert, dass sie den Studierenden innovative Methoden modernen Schulunterrichts traditionell rezipierend vorstellen. In Deutschland gibt es circa 40 Universitäten, die Informatik mit Lehramtsbezug ausbilden. Allerdings gibt es nur wenige Konzepte, die sich mit der Verbindung von Bildungswissenschaften und der Informatik mit ihrer Didaktik beschäftigen und keine Konzepte, die eine konstruktivistische Lehre in der Informatik verfolgen.
Daher zielt diese Masterarbeit darauf ab, diese Lücke aufgreifen und anhand des „Didaktik der Informatik I“ Moduls der Universität Potsdam ein Modell zur konstruktivistischen Hochschullehre zu entwickeln. Dabei soll ein bestehendes konstruktivistisches Lehrmodell auf die Informatikdidaktik übertragen und Elemente zur Verbindung von Bildungswissenschaften, Fachwissenschaften und Fachdidaktiken mit einbezogen werden. Dies kann eine Grundlage für die Planung von Informatikdidaktischen Modulen bieten, aber auch als Inspiration zur Übertragung bestehender innovativer Lehrkonzepte auf andere Fachdidaktiken dienen.
Um ein solches konstruktivistisches Lehr-Lern-Modell zu erstellen, wird zunächst der Zusammenhang von Bildungswissenschaften, Fachwissenschaften und Fachdidaktiken erläutert und anschließend die Notwendigkeit einer Vernetzung hervorgehoben. Hieran folgt eine Darstellung zu relevanten Lerntheorien und bereits entwickelten innovativen Lernkonzepten. Anknüpfend wird darauf eingegangen, welche Anforderungen die Kultusminister- Konferenz an die Ausbildung von Lehrkräften stellt und wie diese Ausbildung für die Informatik momentan an der Universität Potsdam erfolgt. Aus allen Erkenntnissen heraus werden Anforderungen an ein konstruktivistisches Lehrmodell festgelegt. Unter Berücksichtigung der Voraussetzungen der Studienordnung für das Lehramt Informatik wird anschließend ein Modell für konstruktivistische Informatikdidaktik vorgestellt.
Weiterführende Forschung könnte sich damit auseinandersetzen, inwiefern sich die Motivation und Leistung im vergleich zum ursprünglichen Modul ändert und ob die Kompetenzen zur Unterrichtsplanung und Unterrichtsgestaltung durch das neue Modulkonzept stärker ausgebaut werden können.
Continuous verification of network security compliance is an accepted need. Especially, the analysis of stateful packet filters plays a central role for network security in practice. But the few existing tools which support the analysis of stateful packet filters are based on general applicable formal methods like Satifiability Modulo Theories (SMT) or theorem prover and show runtimes in the order of minutes to hours making them unsuitable for continuous compliance verification. In this work, we address these challenges and present the concept of state shell interweaving to transform a stateful firewall rule set into a stateless rule set. This allows us to reuse any fast domain specific engine from the field of data plane verification tools leveraging smart, very fast, and domain specialized data structures and algorithms including Header Space Analysis (HSA). First, we introduce the formal language FPL that enables a high-level human-understandable specification of the desired state of network security. Second, we demonstrate the instantiation of a compliance process using a verification framework that analyzes the configuration of complex networks and devices - including stateful firewalls - for compliance with FPL policies. Our evaluation results show the scalability of the presented approach for the well known Internet2 and Stanford benchmarks as well as for large firewall rule sets where it outscales state-of-the-art tools by a factor of over 41.
Computational drug sensitivity models have the potential to improve therapeutic outcomes by identifying targeted drug components that are likely to achieve the highest efficacy for a cancer cell line at hand at a therapeutic dose. State of the art drug sensitivity models use regression techniques to predict the inhibitory concentration of a drug for a tumor cell line. This regression objective is not directly aligned with either of these principal goals of drug sensitivity models: We argue that drug sensitivity modeling should be seen as a ranking problem with an optimization criterion that quantifies a drug's inhibitory capacity for the cancer cell line at hand relative to its toxicity for healthy cells. We derive an extension to the well-established drug sensitivity regression model PaccMann that employs a ranking loss and focuses on the ratio of inhibitory concentration and therapeutic dosage range. We find that the ranking extension significantly enhances the model's capability to identify the most effective anticancer drugs for unseen tumor cell profiles based in on in-vitro data.