Theoretical approaches to the thermochemistry of silicate anions have so far focused on gas-phase molecular orbital and density functional theory (DFT) calculations. These calculations predict that in the presence of hydroxide ligands the most stable singly charged anion of the silicic acid H4SiO4 is the five-coordinated anion H5SiO5 . However, experimental evidence from in situ nuclear magneti...

We introduce Mean-for-Mode estimation, a variant of an uncollapsed Gibbs sampler that we use to train LDA on a GPU. The algorithm combines benefits of both uncollapsed and collapsed Gibbs samplers. Like a collapsed Gibbs sampler — and unlike an uncollapsed Gibbs sampler — it has good statistical performance, and can use sampling complexity reduction techniques such as sparsity. Meanwhile, like ...

The therrmodynamic parameters and equilibrium constant of displacement of dimethy sulfide by 3-carboaldehyde pyridine as N-donor ligand in cis-[Pt(4-MeC6H4)2(SMe2)2] complex have been measured using UV vis spectroscopy in acetone, dichloromethane and benzene at various temperatures (T=15-20 °C) and compared with previous my reported about similar reaction. ΔHo (KJ.mol-1) of the mentioned reacti...

Many real-world Bayesian inference problems such as preference learning or trader valuation modeling in financial markets naturally use piecewise likelihoods. Unfortunately, exact closed-form inference in the underlying Bayesian graphical models is intractable in the general case and existing approximation techniques provide few guarantees on both approximation quality and efficiency. While (Ma...

In a closed economic system, money is conserved. Thus, by analogy with energy, the equilibrium probability distribution of money must follow the exponential Boltzmann-Gibbs law characterized by an effective temperature equal to the average amount of money per economic agent. We demonstrate how the Boltzmann-Gibbs distribution emerges in computer simulations of economic models. Then we consider ...

Hierarchical linear and generalized linear models can be fit using Gibbs samplers and Metropolis algorithms; these models, however, often have many parameters, and convergence of the seemingly most natural Gibbs and Metropolis algorithms can sometimes be slow. We examine solutions that involve reparameterization and overparameterization. We begin with parameter expansion using working parameter...