## Institut für Informatik und Computational Science

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Recent evidence suggests that metabolic changes play a pivotal role in the biology of cancer and in particular renal cell carcinoma (RCC). Here, a global metabolite profiling approach was applied to characterize the metabolite pool of RCC and normal renal tissue. Advanced decision tree models were applied to characterize the metabolic signature of RCC and to explore features of metastasized tumours. The findings were validated in a second independent dataset. Vitamin E derivates and metabolites of glucose, fatty acid, and inositol phosphate metabolism determined the metabolic profile of RCC. alpha-tocopherol, hippuric acid, myoinositol, fructose-1-phosphate and glucose-1-phosphate contributed most to the tumour/normal discrimination and all showed pronounced concentration changes in RCC. The identified metabolic profile was characterized by a low recognition error of only 5% for tumour versus normal samples. Data on metastasized tumours suggested a key role for metabolic pathways involving arachidonic acid, free fatty acids, proline, uracil and the tricarboxylic acid cycle. These results illustrate the potential of mass spectroscopy based metabolomics in conjunction with sophisticated data analysis methods to uncover the metabolic phenotype of cancer. Differentially regulated metabolites, such as vitamin E compounds, hippuric acid and myoinositol, provide leads for the characterization of novel pathways in RCC.

We introduce hierarchical kFOIL as a simple extension of the multitask kFOIL learning algorithm. The algorithm first learns a core logic representation common to all tasks, and then refines it by specialization on a per-task basis. The approach can be easily generalized to a deeper hierarchy of tasks. A task clustering algorithm is also proposed in order to automatically generate the task hierarchy. The approach is validated on problems of drug-resistance mutation prediction and protein structural classification. Experimental results show the advantage of the hierarchical version over both single and multi task alternatives and its potential usefulness in providing explanatory features for the domain. Task clustering allows to further improve performance when a deeper hierarchy is considered.

We address the problem of Finite Model Computation (FMC) of first-order theories and show that FMC can efficiently and transparently be solved by taking advantage of a recent extension of Answer Set Programming (ASP), called incremental Answer Set Programming (iASP). The idea is to use the incremental parameter in iASP programs to account for the domain size of a model. The FMC problem is then successively addressed for increasing domain sizes until an answer set, representing a finite model of the original first-order theory, is found. We implemented a system based on the iASP solver iClingo and demonstrate its competitiveness by showing that it slightly outperforms the winner of the FNT division of CADE's 2009 Automated Theorem Proving (ATP) competition on the respective benchmark collection.

Autonomy is an emerging paradigm for the design and implementation of managed services and systems. Self-managed aspects frequently concern the communication of systems with their environment. Self-management subsystems are critical, they should thus be designed and implemented as high-assurance components. Here, we propose to use GEAR, a game-based model checker for the full modal mu-calculus, and derived, more user-oriented logics, as a user friendly tool that can offer automatic proofs of critical properties of such systems. Designers and engineers can interactively investigate automatically generated winning strategies resulting from the games, this way exploring the connection between the property, the system, and the proof. The benefits of the approach are illustrated on a case study that concerns the ExoMars Rover.

We define and study quantum cellular automata (QCA). We show that they are reversible and that the neighborhood of the inverse is the opposite of the neighborhood. We also show that QCA always admit, modulo shifts, a two-layered block representation. Note that the same two-layered block representation result applies also over infinite configurations, as was previously shown for one-dimensional systems in the more elaborate formalism of operators algebras [18]. Here the proof is simpler and self-contained, moreover we discuss a counterexample QCA in higher dimensions.

One of the goals of artificial intelligence is to develop agents that learn and act in complex environments. Realistic environments typically feature a variable number of objects, relations amongst them, and non-deterministic transition behavior. While standard probabilistic sequence models provide efficient inference and learning techniques for sequential data, they typically cannot fully capture the relational complexity. On the other hand, statistical relational learning techniques are often too inefficient to cope with complex sequential data. In this paper, we introduce a simple model that occupies an intermediate position in this expressiveness/efficiency trade-off. It is based on CP-logic (Causal Probabilistic Logic), an expressive probabilistic logic for modeling causality. However, by specializing CP-logic to represent a probability distribution over sequences of relational state descriptions and employing a Markov assumption, inference and learning become more tractable and effective. Specifically, we show how to solve part of the inference and learning problems directly at the first-order level, while transforming the remaining part into the problem of computing all satisfying assignments for a Boolean formula in a binary decision diagram. We experimentally validate that the resulting technique is able to handle probabilistic relational domains with a substantial number of objects and relations.

In this paper we consider masking of unknowns (X-values) for VLSI circuits. We present a new hierarchical method of X-masking which is a major improvement of the method proposed in [4], called WIDE1. By the method proposed, the number of observable scan cells is optimized and data volume for X-masking can be significantly reduced in comparison to WIDEL This is demonstrated for three industrial designs. In cases where all X-values have to be masked the novel approach is especially efficient.

We investigate the decidability of the operation problem for TOL languages and subclasses. Fix an operation on formal languages. Given languages from the family considered (OL languages, TOL languages, or their propagating variants), is the application of this operation to the given languages still a language that belongs to the same language family? Observe, that all the Lindenmayer language families in question are anti-AFLs, that is, they are not closed under homomorphisms, inverse homomorphisms, intersection with regular languages, union, concatenation, and Kleene closure. Besides these classical operations we also consider intersection and substitution, since the language families under consideration are not closed under these operations, too. We show that for all of the above mentioned language operations, except for the Kleene closure, the corresponding operation problems of OL and TOL languages and their propagating variants are not even semidecidable. The situation changes for unary OL languages. In this case we prove that the operation problems with respect to Kleene star, complementation, and intersection with regular sets are decidable.