Inference in particle tracking experiments by passing messages between images

Methods to extract information from the tracking of mobile objects/particles have broad interest in biological and physical sciences. Techniques based on simple criteria of proximity in time-consecutive snapshots are useful to identify the trajectories of the particles. However, they become problematic as the motility and/or the density of the particles increases due to uncertainties on the trajectories that particles followed during the images' acquisition time. Here, we report an efficient method for learning parameters of the dynamics of the particles from their positions in time-consecutive images. Our algorithm belongs to the class of message-passing algorithms, known in computer science, information theory and statistical physics as Belief Propagation (BP). The algorithm is distributed, thus allowing parallel implementation suitable for computations on multiple machines without significant inter-machine overhead. We test our method on the model example of particle tracking in turbulent flows, which is particularly challenging due to the strong transport that those flows produce. Our numerical experiments show that the BP algorithm compares in quality with exact Markov Chain Monte-Carlo algorithms, yet BP is far superior in speed. We also suggest and analyze a random-distance model that provides theoretical justification for BP accuracy. Methods developed here systematically formulate the problem of particle tracking and provide fast and reliable tools for its extensive range of applications.Comment: 18 pages, 9 figure

Complex networks in climate dynamics - Comparing linear and nonlinear network construction methods

Complex network theory provides a powerful framework to statistically investigate the topology of local and non-local statistical interrelationships, i.e. teleconnections, in the climate system. Climate networks constructed from the same global climatological data set using the linear Pearson correlation coefficient or the nonlinear mutual information as a measure of dynamical similarity between regions, are compared systematically on local, mesoscopic and global topological scales. A high degree of similarity is observed on the local and mesoscopic topological scales for surface air temperature fields taken from AOGCM and reanalysis data sets. We find larger differences on the global scale, particularly in the betweenness centrality field. The global scale view on climate networks obtained using mutual information offers promising new perspectives for detecting network structures based on nonlinear physical processes in the climate system.Comment: 24 pages, 10 figure

Chance and Necessity in Evolution: Lessons from RNA

The relationship between sequences and secondary structures or shapes in RNA exhibits robust statistical properties summarized by three notions: (1) the notion of a typical shape (that among all sequences of fixed length certain shapes are realized much more frequently than others), (2) the notion of shape space covering (that all typical shapes are realized in a small neighborhood of any random sequence), and (3) the notion of a neutral network (that sequences folding into the same typical shape form networks that percolate through sequence space). Neutral networks loosen the requirements on the mutation rate for selection to remain effective. The original (genotypic) error threshold has to be reformulated in terms of a phenotypic error threshold. With regard to adaptation, neutrality has two seemingly contradictory effects: It acts as a buffer against mutations ensuring that a phenotype is preserved. Yet it is deeply enabling, because it permits evolutionary change to occur by allowing the sequence context to vary silently until a single point mutation can become phenotypically consequential. Neutrality also influences predictability of adaptive trajectories in seemingly contradictory ways. On the one hand it increases the uncertainty of their genotypic trace. At the same time neutrality structures the access from one shape to another, thereby inducing a topology among RNA shapes which permits a distinction between continuous and discontinuous shape transformations. To the extent that adaptive trajectories must undergo such transformations, their phenotypic trace becomes more predictable.Comment: 37 pages, 14 figures; 1998 CNLS conference; high quality figures at http://www.santafe.edu/~walte

Penalized Likelihood Methods for Estimation of Sparse High Dimensional Directed Acyclic Graphs

Directed acyclic graphs (DAGs) are commonly used to represent causal relationships among random variables in graphical models. Applications of these models arise in the study of physical, as well as biological systems, where directed edges between nodes represent the influence of components of the system on each other. The general problem of estimating DAGs from observed data is computationally NP-hard, Moreover two directed graphs may be observationally equivalent. When the nodes exhibit a natural ordering, the problem of estimating directed graphs reduces to the problem of estimating the structure of the network. In this paper, we propose a penalized likelihood approach that directly estimates the adjacency matrix of DAGs. Both lasso and adaptive lasso penalties are considered and an efficient algorithm is proposed for estimation of high dimensional DAGs. We study variable selection consistency of the two penalties when the number of variables grows to infinity with the sample size. We show that although lasso can only consistently estimate the true network under stringent assumptions, adaptive lasso achieves this task under mild regularity conditions. The performance of the proposed methods is compared to alternative methods in simulated, as well as real, data examples.Comment: 19 pages, 8 figure

Contractors for flows

We answer a question raised by Lov\'asz and B. Szegedy [Contractors and connectors in graph algebras, J. Graph Theory 60:1 (2009)] asking for a contractor for the graph parameter counting the number of B-flows of a graph, where B is a subset of a finite Abelian group closed under inverses. We prove our main result using the duality between flows and tensions and finite Fourier analysis. We exhibit several examples of contractors for B-flows, which are of interest in relation to the family of B-flow conjectures formulated by Tutte, Fulkerson, Jaeger, and others.Comment: 22 pages, 1 figur

Estimating toner usage with laser electrophotographic printers, and object map generation from raster input image

Accurate estimation of toner usage is an area of on-going importance for laser, electrophotographic (EP) printers. In Part 1, we propose a new two-stage approach in which we first predict on a pixel-by-pixel basis, the absorptance from printed and scanned pages. We then form a weighted sum of these pixel values to predict overall toner usage on the printed page. The weights are chosen by least-squares regression to toner usage measured with a set of printed test pages. Our two-stage predictor significantly outperforms existing methods that are based on a simple pixel counting strategy in terms of both accuracy and robustness of the predictions.^ In Part 2, we describe a raster-input-based object map generation algorithm (OMGA) for laser, electrophotographic (EP) printers. The object map is utilized in the object-oriented halftoning approach, where different halftone screens and color maps are applied to different types of objects on the page in order to improve the overall printing quality. The OMGA generates object map from the raster input directly. It solves problems such as the object map obtained from the page description language (PDL) is incorrect, and an initial object map is unavailable from the processing pipeline. A new imaging pipeline for the laser EP printer incorporating both the OMGA and the object-oriented halftoning approach is proposed. The OMGA is a segmentation-based classification approach. It first detects objects according to the edge information, and then classifies the objects by analyzing the feature values extracted from the contour and the interior of each object. The OMGA is designed to be hardware-friendly, and can be implemented within two passes through the input document

From RNA folding to inverse folding: a computational study: Folding and design of RNA molecules

Since the discovery of the structure of DNA in the early 1953s and its double-chained complement of information hinting at its means of replication, biologists have recognized the strong connection between molecular structure and function. In the past two decades, there has been a surge of research on an ever-growing class of RNA molecules that are non-coding but whose various folded structures allow a diverse array of vital functions. From the well-known splicing and modification of ribosomal RNA, non-coding RNAs (ncRNAs) are now known to be intimately involved in possibly every stage of DNA translation and protein transcription, as well as RNA signalling and gene regulation processes. Despite the rapid development and declining cost of modern molecular methods, they typically can only describe ncRNA's structural conformations in vitro, which differ from their in vivo counterparts. Moreover, it is estimated that only a tiny fraction of known ncRNAs has been documented experimentally, often at a high cost. There is thus a growing realization that computational methods must play a central role in the analysis of ncRNAs. Not only do computational approaches hold the promise of rapidly characterizing many ncRNAs yet to be described, but there is also the hope that by understanding the rules that determine their structure, we will gain better insight into their function and design. Many studies revealed that the ncRNA functions are performed by high-level structures that often depend on their low-level structures, such as the secondary structure. This thesis studies the computational folding mechanism and inverse folding of ncRNAs at the secondary level. In this thesis, we describe the development of two bioinformatic tools that have the potential to improve our understanding of RNA secondary structure. These tools are as follows: (1) RAFFT for efficient prediction of pseudoknot-free RNA folding pathways using the fast Fourier transform (FFT)}; (2) aRNAque, an evolutionary algorithm inspired by Lévy flights for RNA inverse folding with or without pseudoknot (A secondary structure that often poses difficulties for bio-computational detection). The first tool, RAFFT, implements a novel heuristic to predict RNA secondary structure formation pathways that has two components: (i) a folding algorithm and (ii) a kinetic ansatz. When considering the best prediction in the ensemble of 50 secondary structures predicted by RAFFT, its performance matches the recent deep-learning-based structure prediction methods. RAFFT also acts as a folding kinetic ansatz, which we tested on two RNAs: the CFSE and a classic bi-stable sequence. In both test cases, fewer structures were required to reproduce the full kinetics, whereas known methods (such as Treekin) required a sample of 20,000 structures and more. The second tool, aRNAque, implements an evolutionary algorithm (EA) inspired by the Lévy flight, allowing both local global search and which supports pseudoknotted target structures. The number of point mutations at every step of aRNAque's EA is drawn from a Zipf distribution. Therefore, our proposed method increases the diversity of designed RNA sequences and reduces the average number of evaluations of the evolutionary algorithm. The overall performance showed improved empirical results compared to existing tools through intensive benchmarks on both pseudoknotted and pseudoknot-free datasets. In conclusion, we highlight some promising extensions of the versatile RAFFT method to RNA-RNA interaction studies. We also provide an outlook on both tools' implications in studying evolutionary dynamics