The multiple pheromone Ant clustering algorithm

Ant Colony Optimisation algorithms mimic the way ants use pheromones for marking paths to important locations. Pheromone traces are followed and reinforced by other ants, but also evaporate over time. As a consequence, optimal paths attract more pheromone, whilst the less useful paths fade away. In the Multiple Pheromone Ant Clustering Algorithm (MPACA), ants detect features of objects represented as nodes within graph space. Each node has one or more ants assigned to each feature. Ants attempt to locate nodes with matching feature values, depositing pheromone traces on the way. This use of multiple pheromone values is a key innovation. Ants record other ant encounters, keeping a record of the features and colony membership of ants. The recorded values determine when ants should combine their features to look for conjunctions and whether they should merge into colonies. This ability to detect and deposit pheromone representative of feature combinations, and the resulting colony formation, renders the algorithm a powerful clustering tool. The MPACA operates as follows: (i) initially each node has ants assigned to each feature; (ii) ants roam the graph space searching for nodes with matching features; (iii) when departing matching nodes, ants deposit pheromones to inform other ants that the path goes to a node with the associated feature values; (iv) ant feature encounters are counted each time an ant arrives at a node; (v) if the feature encounters exceed a threshold value, feature combination occurs; (vi) a similar mechanism is used for colony merging. The model varies from traditional ACO in that: (i) a modified pheromone-driven movement mechanism is used; (ii) ants learn feature combinations and deposit multiple pheromone scents accordingly; (iii) ants merge into colonies, the basis of cluster formation. The MPACA is evaluated over synthetic and real-world datasets and its performance compares favourably with alternative approaches.

Spin transition of 1D, 2D and 3D iron(II) complex polymers - the tug-of-war between elastic interaction and a shock-absorber effect

The structures of linear chain Fe(II) spin-crossover compounds of α,β- and α,ω-bis (tetrazol-1-yl)alkane type ligands are described in relation to their magnetic properties. The first threefold interlocked 3-D catenane Fe(II) spin-transition system, [μ-tris(1,4-bis(tetrazol-1-yl)butane-N1,N1′) iron(II)] bis(perchlorate), will be discussed. An analysis is made among the structures and the cooperativity of the spin-crossover behaviour of polynuclear Fe(II) spin-transition materials.

An improved memory management scheme for large scale graph computing engine GraphChi

GraphChi is the first reported disk-based graph engine that can handle billion-scale graphs on a single PC efficiently. GraphChi is able to execute several advanced data mining, graph mining and machine learning algorithms on very large graphs. With the novel technique of parallel sliding windows (PSW) to load subgraph from disk to memory for vertices and edges updating, it can achieve data processing performance close to and even better than those of mainstream distributed graph engines. GraphChi mentioned that its memory is not effectively utilized with large dataset, which leads to suboptimal computation performances. In this paper we are motivated by the concepts of 'pin ' from TurboGraph and 'ghost' from GraphLab to propose a new memory utilization mode for GraphChi, which is called Part-in-memory mode, to improve the GraphChi algorithm performance. The main idea is to pin a fixed part of data inside the memory during the whole computing process. Part-in-memory mode is successfully implemented with only about 40 additional lines of code to the original GraphChi engine. Extensive experiments are performed with large real datasets (including Twitter graph with 1.4 billion edges). The preliminary results show that Part-in-memory mode memory management approach effectively reduces the GraphChi running time by up to 60% in PageRank algorithm. Interestingly it is found that a larger portion of data pinned in memory does not always lead to better performance in the case that the whole dataset cannot be fitted in memory. There exists an optimal portion of data which should be kept in the memory to achieve the best computational performance.

Anisotropic viscoelastic properties of undamaged asphalt mixtures

A test protocol and a data analysis method are developed in this paper on the basis of linear viscoelastic theory to characterize the anisotropic viscoelastic properties of undamaged asphalt mixtures. The test protocol includes three nondestructive tests: (1) uniaxial compressive creep test, (2) indirect tensile creep test, and (3) the uniaxial tensile creep test. All three tests are conducted on asphalt mixture specimens at three temperatures (10, 20, and 30°C) to determine the tensile and compressive properties at each temperature and then to construct the master curve of each property. The determined properties include magnitude and phase angle of the compressive complex modulus in the vertical direction, magnitude and phase angle of the tensile complex modulus, and the magnitude and phase angle of the compressive complex modulus in the horizontal plane. The test results indicate that all tested asphalt mixtures have significantly different tensile properties from compressive properties. The peak value of the master curve of the tensile complex modulus phase angle is within a range from 65 to 85°, whereas the peak value of the compressive moduli phase angle in both directions ranges from 35 to 55°. In addition, the undamaged asphalt mixtures exhibit distinctively anisotropic properties in compression. The magnitude of the compressive modulus in the vertical direction is approximately 1.2 to ̃2 times of the magnitude of the compressive modulus in the horizontal plane. Dynamic modulus tests are performed to verify the results of the proposed test protocol. The test results from the proposed test protocol match well with those from the dynamic tests. © 2012 American Society of Civil Engineers.

BOWL:augmenting the semantic web with beliefs

As the Semantic Web is an open, complex and constantly evolving medium, it is the norm, but not exception that information at different sites is incomplete or inconsistent. This poses challenges for the engineering and development of agent systems on the Semantic Web, since autonomous software agents need to understand, process and aggregate this information. Ontology language OWL provides core language constructs to semantically markup resources on the Semantic Web, on which software agents interact and cooperate to accomplish complex tasks. However, as OWL was designed on top of (a subset of) classic predicate logic, it lacks the ability to reason about inconsistent or incomplete information. Belief-augmented Frames (BAF) is a frame-based logic system that associates with each frame a supporting and a refuting belief value. In this paper, we propose a new ontology language Belief-augmented OWL (BOWL) by integrating OWL DL and BAF to incorporate the notion of confidence. BOWL is paraconsistent, hence it can perform useful reasoning services in the presence of inconsistencies and incompleteness. We define the abstract syntax and semantics of BOWL by extending those of OWL. We have proposed reasoning algorithms for various reasoning tasks in the BOWL framework and we have implemented the algorithms using the constraint logic programming framework. One example in the sensor fusion domain is presented to demonstrate the application of BOWL.

The application of uncertainty evaluating software for the utilisation of machine tool systems for final inspection

As machine tools continue to become increasingly repeatable and accurate, high-precision manufacturers may be tempted to consider how they might utilise machine tools as measurement systems. In this paper, we have explored this paradigm by attempting to repurpose state-of-the-art coordinate measuring machine Uncertainty Evaluating Software (UES) for a machine tool application. We performed live measurements on all the systems in question. Our findings have highlighted some gaps with UES when applied to machine tools, and we have attempted to identify the sources of variation which have led to discrepancies. Implications of this research include requirements to evolve the algorithms within the UES if it is to be adapted for on-machine measurement, improve the robustness of the input parameters, and most importantly, clarify expectations.

Measuring graph similarity through continuous-time quantum walks and the quantum Jensen-Shannon divergence

In this paper we propose a quantum algorithm to measure the similarity between a pair of unattributed graphs. We design an experiment where the two graphs are merged by establishing a complete set of connections between their nodes and the resulting structure is probed through the evolution of continuous-time quantum walks. In order to analyze the behavior of the walks without causing wave function collapse, we base our analysis on the recently introduced quantum Jensen-Shannon divergence. In particular, we show that the divergence between the evolution of two suitably initialized quantum walks over this structure is maximum when the original pair of graphs is isomorphic. We also prove that under special conditions the divergence is minimum when the sets of eigenvalues of the Hamiltonians associated with the two original graphs have an empty intersection.

A continuous-time quantum walk kernel for unattributed graphs

Kernel methods provide a way to apply a wide range of learning techniques to complex and structured data by shifting the representational problem from one of finding an embedding of the data to that of defining a positive semidefinite kernel. In this paper, we propose a novel kernel on unattributed graphs where the structure is characterized through the evolution of a continuous-time quantum walk. More precisely, given a pair of graphs, we create a derived structure whose degree of symmetry is maximum when the original graphs are isomorphic. With this new graph to hand, we compute the density operators of the quantum systems representing the evolutions of two suitably defined quantum walks. Finally, we define the kernel between the two original graphs as the quantum Jensen-Shannon divergence between these two density operators. The experimental evaluation shows the effectiveness of the proposed approach. © 2013 Springer-Verlag.

Attributed graph similarity from the quantum Jensen-Shannon divergence

One of the most fundamental problem that we face in the graph domain is that of establishing the similarity, or alternatively the distance, between graphs. In this paper, we address the problem of measuring the similarity between attributed graphs. In particular, we propose a novel way to measure the similarity through the evolution of a continuous-time quantum walk. Given a pair of graphs, we create a derived structure whose degree of symmetry is maximum when the original graphs are isomorphic, and where a subset of the edges is labeled with the similarity between the respective nodes. With this compositional structure to hand, we compute the density operators of the quantum systems representing the evolution of two suitably defined quantum walks. We define the similarity between the two original graphs as the quantum Jensen-Shannon divergence between these two density operators, and then we show how to build a novel kernel on attributed graphs based on the proposed similarity measure. We perform an extensive experimental evaluation both on synthetic and real-world data, which shows the effectiveness the proposed approach. © 2013 Springer-Verlag.

Groundwater flow patterns within the Triassic sandstone aquifers, Birmingham, United Kingdom

This paper presents the development of a modelling study for part of the Birmingham area. Restricted access and model resolutions have limited wide applications of some of the previously developed models. The study area covers approximately 221 km2, and is underlain geologically, by a multi-layer setup with varied hydraulic properties. The basal aquifer unit is the Kidderminster sandstone Formation, overlain by the Wildmoor and Bromsgrove sandstone Formations. The presence of the Birmingham fault which acts as low permeability barrier demarcates the eastern and southern boundaries. The western boundary is defined by the presence of crystallised rocks and coal measures, while a groundwater divide defines the northern boundary. The estimated recharge flux is 112 mm/yr. The ranges of calibrated values obtained for horizontal and vertical hydraulic conductivities are 5.787x10-6 - 2.315x10-5  m/s and 5.787x10-8  - 1.157x10-7  m/s, respectively. Corresponding values obtained for the specific yield and specific storage are 0.10 - 0.12, and 1x10 -4 - 5x10 -4. The calculated numerical error is generally much less than 0.1 %. Hydraulic layering within the Permo-Triassic sandstone aquifer is thought to account for the large vertical anisotropy. Although, uncertainties are associated with the use of a simplistic delay approach to characterise the effects of the unsaturated zone, the modelled values are comparable with those obtained in the literature, and the flow pattern predictions appear to be realistic. © Research India Publications.

Methyl chloride purification for the silicone industry

This study experimentally investigated methyl chloride (MeCl) purification method using an inhouse designed and built volumetric adsorption/desorption rig. MeCl is an essential raw material in the manufacture of silicone however all technical grades of MeCl contain concentrations (0.2 - 1.0 % wt) of dimethyl ether (DME) which poison the process. The project industrial partner had previously exhausted numerous separation methods, which all have been deemed not suitable for various reasons. Therefore, adsorption/desorption separation was proposed in this study as a potential solution with less economic and environmental impact. Pure component adsorption/desorption was carried out for DME and MeCl on six different adsorbents namely: zeolite molecular sieves (types 4 Å and 5 Å); silica gels (35-70 mesh, amorphous precipitated, and 35-60 mesh) and granular activated carbon (type 8-12 mesh). Subsequent binary gas mixture adsorption in batch and continuous mode was carried out on both zeolites and all three silica gels following thermal pre-treatment in vacuum. The adsorbents were tested as received and after being subjected to different thermal and vacuum pre-treatment conditions. The various adsorption studies were carried out at low pressure and temperature ranges of 0.5 - 3.5 atm and 20 - 100 °C. All adsorbents were characterised using Brunauer Emmett Teller (BET), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and energy dispersive x-ray analysis (EDXA) to investigate their physical and chemical properties. The well-known helium (He) expansion method was used to determine the empty manifold and adsorption cell (AC) regions and respective void volumes for the different adsorbents. The amounts adsorbed were determined using Ideal gas laws via the differential pressure method. The heat of adsorption for the various adsorbate-adsorbent (A-S) interactions was calculated using a new calorimetric method based on direct temperature measurements inside the AC. Further adsorption analysis included use of various empirical and kinetic models to determine and understand the behaviour of the respective interactions. The gas purification behaviour was investigated using gas chromatography and mass spectroscopy (GC-MC) analysis. Binary gas mixture samples were syringed from the manifold iii and AC outlet before and after adsorption/desorption analysis through manual sample injections into the GC-MS to detect and quantify the presence of DME and ultimately observe for methyl chloride purification. Convincing gas purification behaviour was confirmed using two different GC columns, thus giving more confidence on the measurement reliability. From the single pure component adsorption of DME and MeCl on the as received zeolite 4A subjected to 1 h vacuum pre-treatment, both gases exhibited pseudo second order adsorption kinetics with DME exhibiting a rate constant nearly double that of MeCl thus suggesting a faster rate of adsorption. From the adsorption isotherm classification both DME and MeCl exhibited Type II and I adsorption isotherm classifications, respectively. The strength of bonding was confirmed by the differential heat of adsorption measurement, which was found to be 23.30 and 10.21 kJ mol-1 for DME and MeCl, respectively. The former is believed to adsorb heterogeneously through hydrogen bonding whilst MeCl adsorbs homogenously via van der Waal’s (VDW) forces. Single pure component adsorption on as received zeolite 5A, silica gels (35-70, amorphous precipitated and 35-60) resulted in similar adsorption/desorption behaviour in similar quantities (mol kg-1). The adsorption isotherms for DME and MeCl on zeolite 5A, silica gels (35-70, amorphous precipitated and 35-60) and activated carbon 8-12 exhibited Type I classifications, respectively. Experiments on zeolite 5A indicated that DME adsorbed stronger, faster and with a slightly stronger strength of interaction than MeCl but in lesser quantities. On the silica gels adsorbents, DME exhibited a slightly greater adsorption capacity whilst adsorbing at a similar rate and strength of interaction compared to MeCl. On the activated carbon adsorbent, MeCl exhibited the greater adsorption capacity at a faster rate but with similar heats of adsorption. The effect of prolonged vacuum (15 h), thermal pre-treatment (150 °C) and extended equilibrium time (15 min) were investigated for the adsorption behaviour of DME and MeCl on both zeolites 4A and 5A, respectively. Compared to adsorption on as received adsorbents subjected to 1 h vacuum the adsorption capacities for DME and MeCl were found to increase by 1.95 % and 20.37 % on zeolite 4A and by 4.52 % and 6.69 % on zeolite 5A, respectively. In addition the empirical and kinetic models and differential heats of adsorption resulted in more definitive fitting curves and trends due to the true equilibrium position of the adsorbate with the adsorbent. Batch binary mixture adsorption on thermally and vacuum pre-treated zeolite 4A demonstrated purification behaviour of all adsorbents used for MeCl streams containing DME impurities, with a concentration as low as 0.66 vol. %. The GC-MS analysis showed no DME detection for the tested concentration mixtures at the AC outlet after 15 or 30 min, whereas MeCl was detectable in measurable amounts. Similar behaviour was also observed when carrying out adsorption in continuous mode. On the other hand, similar studies on the other adsorbents did not show such favourable MeCl purification behaviour. Overall this study investigated a wide range of adsorbents (zeolites, silica gels and activated carbon) and demonstrated for the first time potential to purify MeCl streams containing DME impurities using adsorption/desorption separation under different adsorbent pre-treatment and adsorption operating conditions. The study also revealed for the first time the adsorption isotherms, empirical and kinetic models and heats of adsorption for the respective adsorbentsurface (A-S) interactions. In conclusion, this study has shown strong evidence to propose zeolite 4A for adsorptive purification of MeCl. It is believed that with a technical grade MeCl stream competitive yet simultaneous co-adsorption of DME and MeCl occurs with evidence of molecular sieiving effects whereby the larger DME molecules are unable to penetrate through the adsorbent bed whereas the smaller MeCl molecules diffuse through resulting in a purified MeCl stream at the AC outlet. Ultimately, further studies are recommended for increased adsorption capacities by considering wider operating conditions, e.g. different adsorbent thermal and vacuum pre-treatment and adsorbing at temperatures closer to the boiling point of the gases and different conditions of pressure and temperature.

Correlation between p-GaN growth environment with electrical and optical properties of blue LEDs

Two blue (450 nm) light–emitting diodes (LED), which only differ in top p-GaN layer growth conditions, were comparatively investigated. I-V, C-V, TLM, Electroluminescence (EL) and Photoluminescence (PL) techniques were applied to clarify a correlation between MOCVD carrier gas and internal properties. The A-structure grown in the pure N2 environment demonstrated better parameters than the B-structure grown in the N2/H2 (1:1) gas mixture. The mixed growth atmosphere leaded to an increase of sheet resistances of p-GaN layer. EL and PL measurements confirmed the advantage of the pure N2 utilization, and C(VR) measurement pointed the increase of static charge concentration near the p-GaN interface in the B structure.

Effects of hydrogen sulphide on the isolated perfused rat heart

Objectives: Hydrogen sulphide has been identified as a gas signalling molecule in the body, and has previously been shown to have vasorelaxant properties. The aim of the study was to investigate the effects of sodium hydrosulphide (NaHS), a hydrogen sulphide donor, on heart rate (HR), left ventricular developed pressure (LVDP) and coronary flow (CF) in the isolated perfused rat heart. Methods: A Langendorff isolated heart preparation was used to investigate the effect of a dose range of sodium hydrosulphide, in the presence and absence of inhibitors, on heart rate, left ventricular developed pressure and coronary flow. Results: Sodium hydrosulphide caused a significant decrease in heart rate at a concentration of 10-3 M (P <0.001). This decrease was partially inhibited by glibenclamide, a K ATP channel blocker (P <0.05); L-NAME, a nitric oxide synthase inhibitor (P <0.001), and methylene blue (P <0.001), but not by H-89, a protein kinase A inhibitor. Sodium hydrosulphide significantly increased coronary flow at concentrations of 10-4 - 10-3M (P <0.05). This response was significantly increased in the presence of L-NAME (P <0.001) and methylene blue (P <0.001), whereas H-89 inhibited the increase in coronary flow due to sodium hydrosulphide (P <0.001). Sodium hydrosulphide significantly decreased LVDP at all concentrations (P <0.001). In the presence of glibenclamide and H-89, the time period of the decrease in LVDP due to sodium hydrosulphide was extended (P <0.001), whereas methylene blue and L-NAME caused a significant reduction in the response to sodium hydrosulphide (P <0.05, P <0.01 respectively). Conclusion: Sodium hydrosulphide reduced heart rate and LVDP, and increased coronary flow in the isolated perfused rat heart; however, the mechanisms of action could not be fully elucidated.

Improved methodology to evaluate fracture properties of warm-mix asphalt using overlay test

This study developed a reliable and repeatable methodology to evaluate the fracture properties of asphalt mixtures with an overlay test (OT). In the proposed methodology, first, a two-step OT protocol was used to characterize the undamaged and damaged behaviors of asphalt mixtures. Second, a new methodology combining the mechanical analysis of viscoelastic force equilibrium in the OT specimen and finite element simulations was used to determine the undamaged properties and crack growth function of asphalt mixtures. Third, a modified Paris's law replacing the stress intensity factor by the pseudo J-integral was employed to characterize the fracture behavior of asphalt mixtures. Theoretical equations were derived to calculate the parameters A and n (defined as the fracture properties) in the modified Paris's law. The study used a detailed example to calculate A and n from the OT data. The proposed methodology was successfully applied to evaluate the impact of warm-mix asphalt (WMA) technologies on fracture properties. The results of the tested specimens showed that Evotherm WMA technology slightly improved the cracking resistance of asphalt mixtures, while foaming WMA technology provided comparable fracture properties. In addition, the study found that A decreased with the increase in n in general. A linear relationship between 2log(A) and n was established.

Design of experiments to study the impact of process parameters on droplet size and development of non-invasive imaging techniques in tablet coating

Atomisation of an aqueous solution for tablet film coating is a complex process with multiple factors determining droplet formation and properties. The importance of droplet size for an efficient process and a high quality final product has been noted in the literature, with smaller droplets reported to produce smoother, more homogenous coatings whilst simultaneously avoiding the risk of damage through over-wetting of the tablet core. In this work the effect of droplet size on tablet film coat characteristics was investigated using X-ray microcomputed tomography (XμCT) and confocal laser scanning microscopy (CLSM). A quality by design approach utilising design of experiments (DOE) was used to optimise the conditions necessary for production of droplets at a small (20 μm) and large (70 μm) droplet size. Droplet size distribution was measured using real-time laser diffraction and the volume median diameter taken as a response. DOE yielded information on the relationship three critical process parameters: pump rate, atomisation pressure and coating-polymer concentration, had upon droplet size. The model generated was robust, scoring highly for model fit (R2 = 0.977), predictability (Q2 = 0.837), validity and reproducibility. Modelling confirmed that all parameters had either a linear or quadratic effect on droplet size and revealed an interaction between pump rate and atomisation pressure. Fluidised bed coating of tablet cores was performed with either small or large droplets followed by CLSM and XμCT imaging. Addition of commonly used contrast materials to the coating solution improved visualisation of the coating by XμCT, showing the coat as a discrete section of the overall tablet. Imaging provided qualitative and quantitative evidence revealing that smaller droplets formed thinner, more uniform and less porous film coats.