We consider various versions of adaptive Gibbs and Metropoliswithin-Gibbs samplers, which update their selection probabilities (and perhaps also their proposal distributions) on the fly during a run, by learning as they go in an attempt to optimise the algorithm. We present a cautionary example of how even a simple-seeming adaptive Gibbs sampler may fail to converge. We then present various pos...

We introduce a methodology for performing approximate computations in very complex probabilistic systems (e.g. huge pedigrees). Our approach, called blocking Gibbs, combines exact local computations with Gibbs sampling in a way that complements the strengths of both. The methodology is illustrated on a real-world problem involving a heavily inbred pedigree containing 20;000 individuals. We pres...

We consider various versions of adaptive Gibbs and Metropoliswithin-Gibbs samplers, which update their selection probabilities (and perhaps also their proposal distributions) on the fly during a run, by learning as they go in an attempt to optimise the algorithm. We present a cautionary example of how even a simple-seeming adaptive Gibbs sampler may fail to converge. We then present various pos...

Models of quantum and classical particles on the d–dimensional lattice ZZ with pair interparticle interactions are considered. The classical model is obtained from the corresponding quantum one when the reduced physical mass of the particle m = μ/h̄ tends to infinity. For these models, it is proposed to define the convergence of the Euclidean Gibbs states, when m → +∞, by the weak convergence of...

The difference in the standard Gibbs free energy for the formation of any two oxides or sulfides is the chemical potential for selective reduction of metals from complex minerals. The magnitude of the Gibbs free energy difference is shown by plotting the univariant relationships for relevant sulfides and oxides. In this investigation, three examples of mineral sulfides are considered, and the e...

Pluronic/bile salt/phospholipid mixed micelles (Pluronic/BS/PS-MM) drug carrier system for solubilization hydrophobic drugs was developed. A typical hydrophobic compound, pyrene, was selected as a representative hydrophobic compound to model the hydrophobic drugs. Five Pluronics, F68, F88, F98, F108, and F127 with different PPO chain length were studied. CMC data and solubilization capacities w...

The blood-brain barrier choline transporter (BBB-ChT) may have utility as a drug delivery vector to the central nervous system (CNS). We therefore initiated molecular docking studies with the AutoDock and AutoDock Vina (ADVina) algorithms to develop predictive models for compound screening and to identify structural features important for binding to this transporter. The binding energy predicti...

The ethanol-oxidizing, proton-reducing Pelobacter acetylenicus was grown in chemostat cocultures with either Acetobacterium woodii, Methanobacterium bryantii, or Desulfovibrio desulfuricans. Stable steady state conditions with tightly coupled growth were reached at various dilution rates between 0.02 and 0.14 h1. Both ethanol and H2 steady state concentrations increased with growth rate and wer...