Spectral algorithms are classic approaches to clustering and community detection in networks. However, for sparse networks the standard versions of these algorithms are suboptimal, in some cases completely failing to detect communities even when other algorithms such as belief propagation can do so. Here we introduce a new class of spectral algorithms based on a non-backtracking walk on the directed edges of the graph. The spectrum of this operator is much better-behaved than that of the adjacency matrix or other commonly used matrices, maintaining a strong separation between the bulk eigenvalues and the eigenvalues relevant to community structure even in the sparse case. We show that our algorithm is optimal for graphs generated by the stochastic block model, detecting communities all the way down to the theoretical limit. We also show the spectrum of the non-backtracking operator for some real-world networks, illustrating its advantages over traditional spectral clustering.

Optimization on manifolds is a rapidly developing branch of nonlinear optimization. Its focus is on problems where the smooth geometry of the search space can be leveraged to design efficient numerical algorithms. In particular, optimization on manifolds is well-suited to deal with rank and orthogonality constraints. Such structured constraints appear pervasively in machine learning applications, including low-rank matrix completion, sensor network localization, camera network registration, independent component analysis, metric learning, dimensionality reduction and so on. The Manopt toolbox, available at www.manopt.org, is a user-friendly, documented piece of software dedicated to simplify experimenting with state of the art Riemannian optimization algorithms. We aim particularly at reaching practitioners outside our field.

The measure of distance between two fuzzy sets is a fundamental tool within fuzzy set theory. However, current distance measures within the literature do not account for the direction of change between fuzzy sets; a useful concept in a variety of applications, such as Computing With Words. In this paper, we highlight this utility and introduce a distance measure which takes the direction between sets into account. We provide details of its application for normal and non-normal, as well as convex and non-convex fuzzy sets. We demonstrate the new distance measure using real data from the MovieLens dataset and establish the benefits of measuring the direction between fuzzy sets.

We use partial class memberships in soft classification to model uncertain labelling and mixtures of classes. Partial class memberships are not restricted to predictions, but may also occur in reference labels (ground truth, gold standard diagnosis) for training and validation data. Classifier performance is usually expressed as fractions of the confusion matrix, such as sensitivity, specificity, negative and positive predictive values. We extend this concept to soft classification and discuss the bias and variance properties of the extended performance measures. Ambiguity in reference labels translates to differences between best-case, expected and worst-case performance. We show a second set of measures comparing expected and ideal performance which is closely related to regression performance, namely the root mean squared error RMSE and the mean absolute error MAE. All calculations apply to classical crisp classification as well as to soft classification (partial class memberships and/or one-class classifiers). The proposed performance measures allow to test classifiers with actual borderline cases. In addition, hardening of e.g. posterior probabilities into class labels is not necessary, avoiding the corresponding information loss and increase in variance. We implement the proposed performance measures in the R package "softclassval", which is available from CRAN and at http://softclassval.r-forge.r-project.org. Our reasoning as well as the importance of partial memberships for chemometric classification is illustrated by a real-word application: astrocytoma brain tumor tissue grading (80 patients, 37000 spectra) for finding surgical excision borders. As borderline cases are the actual target of the analytical technique, samples which are diagnosed to be borderline cases must be included in the validation.

This paper summarizes efforts to computationally model two transitions in the evolution of human creativity: its origins about two million years ago, and the 'big bang' of creativity about 50,000 years ago. Using a computational model of cultural evolution in which neural network based agents evolve ideas for actions through invention and imitation, we tested the hypothesis that human creativity began with onset of the capacity for recursive recall. We compared runs in which agents were limited to single-step actions to runs in which they used recursive recall to chain simple actions into complex ones. Chaining resulted in higher diversity, open-ended novelty, no ceiling on the mean fitness of actions, and greater ability to make use of learning. Using a computational model of portrait painting, we tested the hypothesis that the explosion of creativity in the Middle/Upper Paleolithic was due to onset of con-textual focus: the capacity to shift between associative and analytic thought. This resulted in faster convergence on portraits that resembled the sitter, employed painterly techniques, and were rated as preferable. We conclude that recursive recall and contextual focus provide a computationally plausible explanation of how humans evolved the means to transform this planet.

Recent work has suggested reducing electricity generation cost by cutting the peak to average ratio (PAR) without reducing the total amount of the loads. However, most of these proposals rely on consumer's willingness to act. In this paper, we propose an approach to cut PAR explicitly from the supply side. The resulting cut loads are then distributed among consumers by the means of a multiunit auction which is done by an intelligent agent on behalf of the consumer. This approach is also in line with the future vision of the smart grid to have the demand side matched with the supply side. Experiments suggest that our approach reduces overall system cost and gives benefit to both consumers and the energy provider.

Two different definitions of the Artificial Intelligence concept have been proposed in papers [1] and [2]. The first definition is informal. It says that any program that is cleverer than a human being, is acknowledged as Artificial Intelligence. The second definition is formal because it avoids reference to the concept of human being. The readers of papers [1] and [2] might be left with the impression that both definitions are equivalent and the definition in [2] is simply a formal version of that in [1]. This paper will compare both definitions of Artificial Intelligence and, hopefully, will bring a better understanding of the concept.

Motivation. Protein contact map describes the pairwise spatial and functional relationship of residues in a protein and contains key information for protein 3D structure prediction. Although studied extensively, it remains very challenging to predict contact map using only sequence information. Most existing methods predict the contact map matrix element-by-element, ignoring correlation among contacts and physical feasibility of the whole contact map. A couple of recent methods predict contact map based upon residue co-evolution, taking into consideration contact correlation and enforcing a sparsity restraint, but these methods require a very large number of sequence homologs for the protein under consideration and the resultant contact map may be still physically unfavorable. Results. This paper presents a novel method PhyCMAP for contact map prediction, integrating both evolutionary and physical restraints by machine learning and integer linear programming (ILP). The evolutionary restraints include sequence profile, residue co-evolution and context-specific statistical potential. The physical restraints specify more concrete relationship among contacts than the sparsity restraint. As such, our method greatly reduces the solution space of the contact map matrix and thus, significantly improves prediction accuracy. Experimental results confirm that PhyCMAP outperforms currently popular methods no matter how many sequence homologs are available for the protein under consideration. PhyCMAP can predict contacts within minutes after PSIBLAST search for sequence homologs is done, much faster than the two recent methods PSICOV and EvFold. See http://raptorx.uchicago.edu for the web server.

The Classification Literature Automated Search Service, an annual bibliography based on citation of one or more of a set of around 80 book or journal publications, ran from 1972 to 2012. We analyze here the years 1994 to 2011. The Classification Society's Service, as it was termed, has been produced by the Classification Society. In earlier decades it was distributed as a diskette or CD with the Journal of Classification. Among our findings are the following: an enormous increase in scholarly production post approximately 2000; a very major increase in quantity, coupled with work in different disciplines, from approximately 2004; and a major shift also from cluster analysis in earlier times having mathematics and psychology as disciplines of the journals published in, and affiliations of authors, contrasted with, in more recent times, a "centre of gravity" in management and engineering.

Inspired by the type of coincidence experiments done in physics on compound quantum systems, giving rise to the identification of entanglement in such compound quantum systems, our investigation of The Animal Acts employed similar coincidence experiments. In the statistics of the experimental data we collected, we identified a violation of Bell's inequalities, very resembling to the violations of this inequality found in quantum physics [2], and announced this finding as'the identification of entanglement in concept combinations' [1]. In the present article we put forward additional elements of this cognitive entanglement that we have investigated meanwhile in great detail, and construct a full quantum mechanical representation in complex Hilbert space of the experimental data. As we will make clear in the following, our experimental cognitive violation of Bell's inequality made us gain quite some new insights into the nature and understanding of entanglement situations violating Bell's inequality, also relevant for their interpretation in micro-physics. We mention shortly the scientific context in which this research takes place.