Proceedings of JAC 2010. Journées Automates Cellulaires

The second Symposium on Cellular Automata “Journ´ees Automates Cellulaires” (JAC 2010) took place in Turku, Finland, on December 15-17, 2010. The first two conference days were held in the Educarium building of the University of Turku, while the talks of the third day were given onboard passenger ferry boats in the beautiful Turku archipelago, along the route Turku–Mariehamn–Turku. The conference was organized by FUNDIM, the Fundamentals of Computing and Discrete Mathematics research center at the mathematics department of the University of Turku. The program of the conference included 17 submitted papers that were selected by the international program committee, based on three peer reviews of each paper. These papers form the core of these proceedings. I want to thank the members of the program committee and the external referees for the excellent work that have done in choosing the papers to be presented in the conference. In addition to the submitted papers, the program of JAC 2010 included four distinguished invited speakers: Michel Coornaert (Universit´e de Strasbourg, France), Bruno Durand (Universit´e de Provence, Marseille, France), Dora Giammarresi (Universit` a di Roma Tor Vergata, Italy) and Martin Kutrib (Universit¨at Gie_en, Germany). I sincerely thank the invited speakers for accepting our invitation to come and give a plenary talk in the conference. The invited talk by Bruno Durand was eventually given by his co-author Alexander Shen, and I thank him for accepting to make the presentation with a short notice. Abstracts or extended abstracts of the invited presentations appear in the first part of this volume. The program also included several informal presentations describing very recent developments and ongoing research projects. I wish to thank all the speakers for their contribution to the success of the symposium. I also would like to thank the sponsors and our collaborators: the Finnish Academy of Science and Letters, the French National Research Agency project EMC (ANR-09-BLAN-0164), Turku Centre for Computer Science, the University of Turku, and Centro Hotel. Finally, I sincerely thank the members of the local organizing committee for making the conference possible. These proceedings are published both in an electronic format and in print. The electronic proceedings are available on the electronic repository HAL, managed by several French research agencies. The printed version is published in the general publications series of TUCS, Turku Centre for Computer Science. We thank both HAL and TUCS for accepting to publish the proceedings.Siirretty Doriast

Predicting Flavonoid UGT Regioselectivity with Graphical Residue Models and Machine Learning.

Machine learning is applied to a challenging and biologically significant protein classification problem: the prediction of flavonoid UGT acceptor regioselectivity from primary protein sequence. Novel indices characterizing graphical models of protein residues are introduced. The indices are compared with existing amino acid indices and found to cluster residues appropriately. A variety of models employing the indices are then investigated by examining their performance when analyzed using nearest neighbor, support vector machine, and Bayesian neural network classifiers. Improvements over nearest neighbor classifications relying on standard alignment similarity scores are reported

Complexity, Language, and Life: Mathematical Approaches

In May 1984 the Swedish Council for Scientific Research convened a small group of investigators at the scientific research station at Abisko, Sweden, for the purpose of examining various conceptual and mathematical views of the evolution of complex systems. The stated theme of the meeting was deliberately kept vague, with only the purpose of discussing alternative mathematically based approaches to the modeling of evolving processes being given as a guideline to the participants. In order to limit the scope to some degree, it was decided to emphasize living rather than nonliving processes and to invite participants from a range of disciplinary specialities spanning the spectrum from pure and applied mathematics to geography and analytic philosophy. The results of the meeting were quite extraordinary; while there was no intent to focus the papers and discussion into predefined channels, an immediate self-organizing effect took place and the deliberations quickly oriented themselves into three main streams: conceptual and formal structures for characterizing system complexity; evolutionary processes in biology and ecology; the emergence of complexity through evolution in natural languages. The chapters presented in this volume are not the proceedings of the meeting. Following the meeting, the organizers felt that the ideas and spirit of the gathering should be preserved in some written form, so the participants were each requested to produce a chapter, explicating the views they presented at Abisko, written specifically for this volume. The results of this exercise are contained in this book

Visualisation of bioinformatics datasets

Analysing the molecular polymorphism and interactions of DNA, RNA and proteins is of fundamental importance in biology. Predicting functions of polymorphic molecules is important in order to design more effective medicines. Analysing major histocompatibility complex (MHC) polymorphism is important for mate choice, epitope-based vaccine design and transplantation rejection etc. Most of the existing exploratory approaches cannot analyse these datasets because of the large number of molecules with a high number of descriptors per molecule. This thesis develops novel methods for data projection in order to explore high dimensional biological dataset by visualising them in a low-dimensional space. With increasing dimensionality, some existing data visualisation methods such as generative topographic mapping (GTM) become computationally intractable. We propose variants of these methods, where we use log-transformations at certain steps of expectation maximisation (EM) based parameter learning process, to make them tractable for high-dimensional datasets. We demonstrate these proposed variants both for synthetic and electrostatic potential dataset of MHC class-I. We also propose to extend a latent trait model (LTM), suitable for visualising high dimensional discrete data, to simultaneously estimate feature saliency as an integrated part of the parameter learning process of a visualisation model. This LTM variant not only gives better visualisation by modifying the project map based on feature relevance, but also helps users to assess the significance of each feature. Another problem which is not addressed much in the literature is the visualisation of mixed-type data. We propose to combine GTM and LTM in a principled way where appropriate noise models are used for each type of data in order to visualise mixed-type data in a single plot. We call this model a generalised GTM (GGTM). We also propose to extend GGTM model to estimate feature saliencies while training a visualisation model and this is called GGTM with feature saliency (GGTM-FS). We demonstrate effectiveness of these proposed models both for synthetic and real datasets. We evaluate visualisation quality using quality metrics such as distance distortion measure and rank based measures: trustworthiness, continuity, mean relative rank errors with respect to data space and latent space. In cases where the labels are known we also use quality metrics of KL divergence and nearest neighbour classifications error in order to determine the separation between classes. We demonstrate the efficacy of these proposed models both for synthetic and real biological datasets with a main focus on the MHC class-I dataset