In a diffusion-based molecular communication network, transmitters and receivers communicate by using signalling molecules (or ligands) in a fluid medium. This paper assumes that the transmitter uses different chemical reactions to generate different emission patterns of signalling molecules to represent different transmission symbols, and the receiver consists of receptors. When the signalling molecules arrive at the receiver, they may react with the receptors to form ligand-receptor complexes. Our goal is to study the demodulation in this setup assuming that the transmitter and receiver are synchronised. We derive an optimal demodulator using the continuous history of the number of complexes at the receiver as the input to the demodulator. We do that by first deriving a communication model which includes the chemical reactions in the transmitter, diffusion in the transmission medium and the ligand-receptor process in the receiver. This model, which takes the form of a continuous-time Markov process, captures the noise in the receiver signal due to the stochastic nature of chemical reactions and diffusion. We then adopt a maximum a posteriori framework and use Bayesian filtering to derive the optimal demodulator. We use numerical examples to illustrate the properties of this optimal demodulator.
There is a rich literature in the modelling of biological systems discussing the difference between: (1) The particle approach which has a continuous state space because the state of a particle is its position; and (2) The mesoscopic approach (the approach in this paper) which discretises the medium into discrete voxels and consider the number of molecules in the voxels as the state. The first approach is more accurate but the computation burden can be high @cite_16 , while the second approach is accurate for appropriate discretisation @cite_59 @cite_38 . There are also hybrid approaches too. An overview of various modelling and simulation approaches can be found in @cite_16 .
@cite_38 @cite_16 @cite_59
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Numerical simulation methods have become an important tool in the study of chemical reaction networks in living cells. Many systems can, with high accuracy, be modeled by deterministic ordinary differential equations, but other systems require a more detailed level of modeling. Stochastic models at either the mesoscopic level or the microscopic level can be used for cases when molecules are present in low copy numbers.In this thesis we develop efficient and flexible algorithms for simulating systems at the microscopic level. We propose an improvement to the Green's function reaction dynamics algorithm, an efficient microscale method. Furthermore, we describe how to simulate interactions with complex internal structures such as membranes and dynamic fibers.The mesoscopic level is related to the microscopic level through the reaction rates at the respective scale. We derive that relation in both two dimensions and three dimensions and show that the mesoscopic model breaks down if the discretization of space becomes too fine. For a simple model problem we can show exactly when this breakdown occurs.We show how to couple the microscopic scale with the mesoscopic scale in a hybrid method. Using the fact that some systems only display microscale behaviour in parts of the system, we can gain computational time by restricting the fine-grained microscopic simulations to only a part of the system.Finally, we have developed a mesoscopic method that couples simulations in three dimensions with simulations on general embedded lines. The accuracy of the method has been verified by comparing the results with purely microscopic simulations as well as with theoretical predictions. Abstract In this paper, we present a novel automated method for White Matter (WM) lesion segmentation of Multiple Sclerosis (MS) patient images. Our approach is based on a cascade of two 3D patch-wise convolutional neural networks (CNN). The first network is trained to be more sensitive revealing possible candidate lesion voxels while the second network is trained to reduce the number of misclassified voxels coming from the first network. This cascaded CNN architecture tends to learn well from a small ( n ≤ 35 ) set of labeled data of the same MRI contrast, which can be very interesting in practice, given the difficulty to obtain manual label annotations and the large amount of available unlabeled Magnetic Resonance Imaging (MRI) data. We evaluate the accuracy of the proposed method on the public MS lesion segmentation challenge MICCAI2008 dataset, comparing it with respect to other state-of-the-art MS lesion segmentation tools. Furthermore, the proposed method is also evaluated on two private MS clinical datasets, where the performance of our method is also compared with different recent public available state-of-the-art MS lesion segmentation methods. At the time of writing this paper, our method is the best ranked approach on the MICCAI2008 challenge, outperforming the rest of 60 participant methods when using all the available input modalities (T1-w, T2-w and FLAIR), while still in the top-rank (3rd position) when using only T1-w and FLAIR modalities. On clinical MS data, our approach exhibits a significant increase in the accuracy segmenting of WM lesions when compared with the rest of evaluated methods, highly correlating ( r ≥ 0.97 ) also with the expected lesion volume. This paper introduces two unsupervised learning methods for analyzing functional magnetic resonance imaging (fMRI) data based on hidden Markov model (HMM). HMM approach is focused on capturing the first-order statistical evolution among the samples of a voxel time series, and it can provide a complimentary perspective of the BOLD signals. Two-state HMM is created for each voxel, and the model parameters are estimated from the voxel time series and the stimulus paradigm. Two different activation detection methods are presented in this paper. The first method is based on the likelihood and likelihood-ratio test, in which an additional Gaussian model is used to enhance the contrast of the HMM likelihood map. The secondmethod is based on certain distance measures between the two state distributions, in which the most likely HMM state sequence is estimated through the Viterbi algorithm. The distance between the on-state and off-state distributions is measured either through a t-test, or using the Kullback-Leibler distance (KLD). Experimental results on both normal subject and brain tumor subject are presented. HMM approach appears to be more robust in detecting the supplemental active voxels comparing with SPM, especially for brain tumor subject. An extremely scalable computational strategy is described for calculations of the potential of mean force (PMF) in multidimensions on massively distributed supercomputers. The approach involves coupling thousands of umbrella sampling (US) simulation windows distributed to cover the space of order parameters with a Hamiltonian molecular dynamics replica-exchange (H-REMD) algorithm to enhance the sampling of each simulation. In the present application, US H-REMD is carried out in a two-dimensional (2D) space and exchanges are attempted alternatively along the two axes corresponding to the two order parameters. The US H-REMD strategy is implemented on the basis of parallel parallel multiple copy protocol at the MPI level, and therefore can fully exploit computing power of large-scale supercomputers. Here the novel technique is illustrated using the leadership supercomputer IBM Blue Gene P with an application to a typical biomolecular calculation of general interest, namely the binding of calcium ions to the ...