A connection between microscopic structure and macroscopic properties is expected for almost all material systems. High-resolution transmission electron microscopy is a technique offering insight into the atomic structure, but the analysis of large image series can be time consuming. The present work describes a method to automatically estimate the atomic structure in two-dimensional materials. As an example graphene is chosen, in which the positions of the carbon atoms are reconstructed. Lattice parameters are extracted in the frequency domain and an initial atom positioning is estimated. Next, a plausible neighborhood structure is estimated. Finally, atom positions are adjusted by simulation of a Markov random field model, integrating image evidence and the strong geometric prior. A pristine sample with high regularity and a sample with an induced hole are analyzed. False discovery rate-controlled large-scale simultaneous hypothesis testing is used as a statistical framework for interpretation of results. The first sample yields, as expected, a homogeneous distribution of carbon–carbon (C–C) bond lengths. The second sample exhibits regions of shorter C–C bond lengths with a preferred orientation, suggesting either strain in the structure or a buckling of the graphene sheet. The precision of the method is demonstrated on simulated model structures and by its application to multiple exposures of the two graphene samples.

One of the classical optimization models for image segmentation is the well known Markov Random Fields (MRF) model. This model is a discrete optimization problem, which is shown here to formulate many continuous models used in image segmentation. In spite of the presence of MRF in the literature, the dominant perception has been that the model is not effective for image segmentation. We show here that the reason for the non-effectiveness is due to the lack of access to the optimal solution. Instead of solving optimally, heuristics have been engaged. Those heuristic methods cannot guarantee the quality of the solution nor the running time of the algorithm. Worse still, heuristics do not link directly the input functions and parameters to the output thus obscuring what would be ideal choices of parameters and functions which are to be selected by users in each particular application context.

We describe here how MRF can model and solve efficiently several known continuous models for image segmentation and describe briefly a very efficient polynomial time algorithm, which is provably fastest possible, to solve optimally the MRF problem. The MRF algorithm is enhanced here compared to the algorithm in Hochbaum (2001) by allowing the set of assigned labels to be any discrete set. Other enhancements include dynamic features that permit adjustments to the input parameters and solves optimally for these changes with minimal computation time. Several new theoretical results on the properties of the algorithm are proved here and are demonstrated for images in the context of medical and biological imaging. An interactive implementation tool for MRF is described, and its performance and flexibility in practice are demonstrated via computational experiments.

We conclude that many continuous models common in image segmentation have discrete analogs to various special cases of MRF and as such are solved optimally and efficiently, rather than with the use of continuous techniques, such as PDE methods, that restrict the type of functions used and furthermore, can only guarantee convergence to a local minimum.

In, Tory and Pickard show that a simple subclass of unilateral AR processes identifies with Gaussian Pickard random fields on Z2. First, we extend this result to the whole class of unilateral AR processes, by showing that they all satisfy a Pickard-type property, under which correlation matching and maximum entropy properties are assessed. Then, it is established that the Pickard property provides the ‘missing’ equations that complement the two-dimensional Yule-Walker equations, in the sense that the conjunction defines a one-to-one mapping between the set of AR parameters and a set of correlations. It also implies Markov chain conditions that allow exact evaluation of the likelihood and an exact sampling scheme on finite lattices.

This paper examines the connection between loss networks without controls and Markov random field theory. The approach taken yields insight into the structure and computation of network equilibrium distributions, and into the nature of spatial dependence in networks. In addition, it provides further insight into some commonly used approximations, enables the development of more refined approximations, and permits the derivation of some asymptotically exact results.

We prove a central limit theorem for conditionally centred random fields, under a moment condition and strict positivity of the empirical variance per observation. We use a random normalization, which fits non-stationary situations. The theorem applies directly to Markov random fields, including the cases of phase transition and lack of stationarity. One consequence is the asymptotic normality of the maximum pseudo-likelihood estimator for Markov fields in complete generality.

A new class of Gibbsian models with potentials associated with the connected components or homogeneous parts of images is introduced. For these models the neighbourhood of a pixel is not fixed as for Markov random fields, but is given by the components which are adjacent to the pixel. The relationship to Markov random fields and marked point processes is explored and spatial Markov properties are established. Extensions to infinite lattices are also studied, and statistical inference problems including geostatistical applications and statistical image analysis are discussed. Finally, simulation studies are presented which show that the models may be appropriate for a variety of interesting patterns, including images exhibiting intermediate degrees of spatial continuity and images of objects against background.

In this research, we present a statistical theory, and an algorithm, to identify one-pixel-wide closed object boundaries in gray-scale images. Closed-boundary identification is an important problem because boundaries of objects are major features in images. In spite of this, most statistical approaches to image restoration and texture identification place inappropriate stationary model assumptions on the image domain. One way to characterize the structural components present in images is to identify one-pixel-wide closed boundaries that delineate objects. By defining a prior probability model on the space of one-pixel-wide closed boundary configurations and appropriately specifying transition probability functions on this space, a Markov chain Monte Carlo algorithm is constructed that theoretically converges to a statistically optimal closed boundary estimate. Moreover, this approach ensures that any approximation to the statistically optimal boundary estimate will have the necessary property of closure.

A generalization of the notion of a stationary Markov chain in more than one dimension is proposed, and is found to be a special class of homogeneous Markov random fields. Stationary Markov chains in many dimensions are shown to possess a maximum entropy property, analogous to the corresponding property for Markov chains in one dimension. In addition, a representation of Markov chains in many dimensions is provided, together with a method for their generation that converges to their stationary distribution.

The dependence of coincidence of the global, local and pairwise Markov properties on the underlying undirected graph is examined. The pairs of these properties are found to be equivalent for graphs with some small excluded subgraphs. Probabilistic representations of the corresponding conditional independence structures are discussed.

The maximum entropy principle is used to model uncertainty by a maximum entropy distribution, subject to some appropriate linear constraints. We give an entropy concentration theorem (whose demonstration is based on large deviation techniques) which is a mathematical justification of this statistical modelling principle. Then we indicate how it can be used in artificial intelligence, and how relevant prior knowledge is provided by some classical descriptive statistical methods. It appears furthermore that the maximum entropy principle yields to a natural binding between descriptive methods and some statistical structures.

It is shown that a phase transition for the Ising model on a tree graph can be detected by the limiting behavior of the magnetization. The relevant limit theorems are special cases of limit theorems for multitype branching processes.