This paper proposes a principled extension of the traditional single-layer flat sparse coding scheme, where a two-layer coding scheme is derived based on theoretical analysis of nonlinear functional approximation that extends recent results for local coordinate coding. The two-layer approach can be easily generalized to deeper structures in a hierarchical multiple-layer manner. Empirically, it ...

Polylactide (PLA) is a biodegradable polyester which is able to replace petrochemical based plastics in many fields [1]. It is commonly produced by ring-opening polymerisation (ROP) of the cyclic diester lactide with metal containing initiator systems using anionic ligand systems [2]. Zinc complexes with neutral guanidine ligands have proven to be highly active initiators in the ROP of lactide ...

We propose a new combination of the bivariate Shepard operators [10] by the three point Lidstone polynomials introduced in [12]. The new combination inherits both degree of exactness and Lidstone interpolation conditions at each node, which characterize the interpolation polynomial. These new operators …nd application to the scattered data interpolation problem when supplementary second order d...

Density function theory with B3LYP parameterization and 6-31++G(d,p) basis set has been used to investigate the structure and stability of many mono-substituted naphthalene molecules. The Molecular Electrostatic Surface Potential (MESP) topography for all the mono-substituted naphthalene molecules was obtained. It is shown that the nature of the substituent and its orientation in the molecule p...

In this paper we explore methods to exploit symmetries for ensuring sample efficiency in reinforcement learning (RL), this problem deserves ever increasing attention with the recent advances in the use of deep networks for complex RL tasks which require large amount of training data. We introduce a novel method to detect symmetries using reward trails observed during episodic experience and pro...

Recent molecular studies provide important clues into treatment of β-thalassemia, sickle-cell anaemia and other β-globin disorders revealing that increased production of fetal hemoglobin, that is normally suppressed in adulthood, can ameliorate the severity of these diseases. In this paper, we present a novel approach for drug target prediction for β-globin disorders. Our approach is centered u...

When composing mashups, the selection of suitable services is mainly based on functional requirements and does not consider the quality of the single services. In this paper, we show that the quality of component services can drive the production of recommendations that can help building quality mashups. We capitalize on a quality model for mashup services and discuss the concept of mashability...

Within the framework of elastoplastic analysis the focus is set on the rate-independent evolutionary problem with general hardening whose material characteristics are assumed to be uncertain. These processes are described via a stochastic convex energy function and evolution equations for internal variables. Computationally such posed problem reduces to the stochastic minimisation of smooth con...

Metal-controlled self-assembly of complexes is of high interest in the field of Supramolecular Chemistry [1,2]. In the current study, we synthesized binuclear complexes with different spacers and study the influence of chain length on their relative energy. The considered complexes prefer the zigzag conformation. Thus a bridge with an odd number of methylene units forms a meso-Helicate (ΔΛ or Λ...

The first is an examination by Csonka and French of the ability of DFT to predict the relative energy of carbohydrate conformation energies. 1 They examined 15 conformers of αand β-D-allopyranose, fifteen conformations of 3,6-anydro-4-Omethyl-D-galactitol and four conformers of β-D-glucopyranose. The energies were referenced against those obtained at MP2/a-cc-pVTZ(-f)//B3LYP/6-31+G*. (This unus...