Towards a Scalable Dynamic Spatial Database System

With the rise of GPS-enabled smartphones and other similar mobile devices, massive amounts of location data are available. However, no scalable solutions for soft real-time spatial queries on large sets of moving objects have yet emerged. In this paper we explore and measure the limits of actual algorithms and implementations regarding different application scenarios. And finally we propose a novel distributed architecture to solve the scalability issues.Comment: (2012

Hybrid model using logit and nonparametric methods for predicting micro-entity failure

Following the calls from literature on bankruptcy, a parsimonious hybrid bankruptcy model is developed in this paper by combining parametric and non-parametric approaches.To this end, the variables with the highest predictive power to detect bankruptcy are selected using logistic regression (LR). Subsequently, alternative non-parametric methods (Multilayer Perceptron, Rough Set, and Classification-Regression Trees) are applied, in turn, to firms classified as either “bankrupt” or “not bankrupt”. Our findings show that hybrid models, particularly those combining LR and Multilayer Perceptron, offer better accuracy performance and interpretability and converge faster than each method implemented in isolation. Moreover, the authors demonstrate that the introduction of non-financial and macroeconomic variables complement financial ratios for bankruptcy prediction

Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks.

Data-driven machine learning force fields (MLFs) are more and more popular in atomistic simulations and exploit machine learning methods to predict energies and forces for unknown structures based on the knowledge learned from an existing reference database. The latter usually comes from density functional theory calculations. One main drawback of MLFs is that physical laws are not incorporated in the machine learning models, and instead, MLFs are designed to be very flexible to simulate complex quantum chemistry potential energy surface (PES). In general, MLFs have poor transferability, and hence, a very large trainset is required to span all the target feature space to get a reliable MLF. This procedure becomes more troublesome when the PES is complicated, with a large number of degrees of freedom, in which building a large database is inevitable and very expensive, especially when accurate but costly exchange-correlation functionals have to be used. In this manuscript, we exploit a high-dimensional neural network potential (HDNNP) on Pt clusters of sizes from 6 to 20 as one example. Our standard level of energy calculation is DFT GGA (PBE) using a plane wave basis set. We introduce an approximate but fast level with the PBE functional and a minimal atomic orbital basis set, and then, a more accurate but expensive level, using a hybrid functional or nonlocal vdW functional and a plane wave basis set, is reliably predicted by learning the difference with HDNNP. The results show that such a differential approach (named ΔHDNNP) can deliver very accurate predictions (error <10 meV/atom) in reference to converged basis set energies as well as more accurate but expensive xc functionals. The overall speedup can be as large as 900 for a 20 atom Pt cluster. More importantly, ΔHDNNP shows much better transferability due to the intrinsic smoothness of the delta potential energy surface, and accordingly, one can use much smaller trainset data to obtain better accuracy than the conventional HDNNP. A multilayer ΔHDNNP is thus proposed to obtain very accurate predictions versus expensive nonlocal vdW functional calculations in which the required trainset is further reduced. The approach can be easily generalized to any other machine learning methods and opens a path to study the structure and dynamics of Pt clusters and nanoparticles