Computational Complexity for Physicists

These lecture notes are an informal introduction to the theory of computational complexity and its links to quantum computing and statistical mechanics.Comment: references updated, reprint available from http://itp.nat.uni-magdeburg.de/~mertens/papers/complexity.shtm

Inductive queries for a drug designing robot scientist

It is increasingly clear that machine learning algorithms need to be integrated in an iterative scientific discovery loop, in which data is queried repeatedly by means of inductive queries and where the computer provides guidance to the experiments that are being performed. In this chapter, we summarise several key challenges in achieving this integration of machine learning and data mining algorithms in methods for the discovery of Quantitative Structure Activity Relationships (QSARs). We introduce the concept of a robot scientist, in which all steps of the discovery process are automated; we discuss the representation of molecular data such that knowledge discovery tools can analyse it, and we discuss the adaptation of machine learning and data mining algorithms to guide QSAR experiments

Improved Memory-Bounded Dynamic Programming for Decentralized POMDPs

Memory-Bounded Dynamic Programming (MBDP) has proved extremely effective in solving decentralized POMDPs with large horizons. We generalize the algorithm and improve its scalability by reducing the complexity with respect to the number of observations from exponential to polynomial. We derive error bounds on solution quality with respect to this new approximation and analyze the convergence behavior. To evaluate the effectiveness of the improvements, we introduce a new, larger benchmark problem. Experimental results show that despite the high complexity of decentralized POMDPs, scalable solution techniques such as MBDP perform surprisingly well.Comment: Appears in Proceedings of the Twenty-Third Conference on Uncertainty in Artificial Intelligence (UAI2007

Network correlated data gathering with explicit communication: NP-completeness and algorithms

We consider the problem of correlated data gathering by a network with a sink node and a tree-based communication structure, where the goal is to minimize the total transmission cost of transporting the information collected by the nodes, to the sink node. For source coding of correlated data, we consider a joint entropy-based coding model with explicit communication where coding is simple and the transmission structure optimization is difficult. We first formulate the optimization problem definition in the general case and then we study further a network setting where the entropy conditioning at nodes does not depend on the amount of side information, but only on its availability. We prove that even in this simple case, the optimization problem is NP-hard. We propose some efficient, scalable, and distributed heuristic approximation algorithms for solving this problem and show by numerical simulations that the total transmission cost can be significantly improved over direct transmission or the shortest path tree. We also present an approximation algorithm that provides a tree transmission structure with total cost within a constant factor from the optimal