Spatial Aggregation: Theory and Applications

Visual thinking plays an important role in scientific reasoning. Based on the research in automating diverse reasoning tasks about dynamical systems, nonlinear controllers, kinematic mechanisms, and fluid motion, we have identified a style of visual thinking, imagistic reasoning. Imagistic reasoning organizes computations around image-like, analogue representations so that perceptual and symbolic operations can be brought to bear to infer structure and behavior. Programs incorporating imagistic reasoning have been shown to perform at an expert level in domains that defy current analytic or numerical methods. We have developed a computational paradigm, spatial aggregation, to unify the description of a class of imagistic problem solvers. A program written in this paradigm has the following properties. It takes a continuous field and optional objective functions as input, and produces high-level descriptions of structure, behavior, or control actions. It computes a multi-layer of intermediate representations, called spatial aggregates, by forming equivalence classes and adjacency relations. It employs a small set of generic operators such as aggregation, classification, and localization to perform bidirectional mapping between the information-rich field and successively more abstract spatial aggregates. It uses a data structure, the neighborhood graph, as a common interface to modularize computations. To illustrate our theory, we describe the computational structure of three implemented problem solvers -- KAM, MAPS, and HIPAIR --- in terms of the spatial aggregation generic operators by mixing and matching a library of commonly used routines.Comment: See http://www.jair.org/ for any accompanying file

Characteristic exponents of complex networks

We present a novel way to characterize the structure of complex networks by studying the statistical properties of the trajectories of random walks over them. We consider time series corresponding to different properties of the nodes visited by the walkers. We show that the analysis of the fluctuations of these time series allows to define a set of characteristic exponents which capture the local and global organization of a network. This approach provides a way of solving two classical problems in network science, namely the systematic classification of networks, and the identification of the salient properties of growing networks. The results contribute to the construction of a unifying framework for the investigation of the structure and dynamics of complex systems.Comment: 6 pages, 5 figures, 1 tabl

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

Four Degrees of Separation, Really

We recently measured the average distance of users in the Facebook graph, spurring comments in the scientific community as well as in the general press ("Four Degrees of Separation"). A number of interesting criticisms have been made about the meaningfulness, methods and consequences of the experiment we performed. In this paper we want to discuss some methodological aspects that we deem important to underline in the form of answers to the questions we have read in newspapers, magazines, blogs, or heard from colleagues. We indulge in some reflections on the actual meaning of "average distance" and make a number of side observations showing that, yes, 3.74 "degrees of separation" are really few