Recent advances in Programming by Example (PBE) have supported new applications to text editing, but existing approaches are limited to simple text strings. In this paper we address transformations in richly formatted documents, using an approach based on the idea of least general generalizations from inductive inference, which avoids the scalability issues faced by stateof-the-art PBE methods....

Programming by Example (PBE) targets at automatically inferring a computer program for accomplishing a certain task from sample input and output. In this paper, we propose a deep neural networks (DNN) based PBE model called Neural Programming by Example (NPBE), which can learn from input-output strings and induce programs that solve the string manipulation problems. Our NPBE model has four neur...

People find it difficult to create and maintain abstractions. We often deal with abstract tasks by using notations that make the structure of the abstraction visible. Programming-by-example (PBE) systems sometimes make it more difficult to create abstractions. The user has to second-guess the results of the inference algorithm and sometimes cannot see any visual representation of the inferred r...

This study arises from the attempt to answer following question: how different descriptions of electronic exchange and correlation affect high-harmonic generation (HHG) spectroscopy H2, N2, CO2 molecules? We compare HHG spectra for with ab initio structure methods: real-time time-dependent configuration interaction density functional theory (RT-TDDFT) using truncated basis sets composed correla...

The performance of six different density functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in describing the infrared spectrum of forsterite, a crystalline periodic system with orthorhombic unit cell (28 atoms in the primitive cell, Pbmn space group), is investigated by using the periodic ab initio CRYSTAL09 code and an all-electron Gaussian-type basis set. The transverse optical (TO) bra...

We present the results of calculations on bulk transition metals Rh, Pd, and Pt using the screened hybrid functional YS-PBE0 [F. Tran and P. Blaha, Phys. Rev. B 83, 235118 (2011)]. The results for the equilibrium geometry are compared with those obtained from (semi)local functionals, namely, the local density approximation and the generalized gradient approximation PBE of Perdew et al. [J. P. P...

Adsorbate geometry and reaction dynamics play essential roles in catalytic processes at surfaces. Here we present a theoretical and experimental study for a model functional organic/metal interface: isophorone (C9H14O) adsorbed on the Pd(111) surface. Density functional theory calculations with the Perdew-Burke-Ernzerhoff (PBE) functional including van der Waals (vdW) interactions, in combinati...

In the context of climate change mitigation, CO2 methanation is an important option for production synthetic carbon-neutral fuels and atmospheric recycling. While being highly exothermic, this reaction kinetically unfavorable, requiring a catalyst to be efficiently activated. Recently Rh nanoparticles gained attention as effective photocatalyst, but rate-determining step on surface has not been...

The Jahn-Teller distortion in praseodymium dioxide PrO2 has been studied using density functional theory with the PBE+U functional for the exchange-correlation energy. Various possible distortions were suggested based on recent neutron diffraction experiments C. H. Gardiner et al., Phys. Rev. B 70, 024415 2004 . We could identify the most likely distorted structure with a magnitude of the disto...

p a4 p a3 0 n-p == 1 1 I g a1 <= a2 J g a2 <= a3 0 n-p == 2 1 0 n-p == 3 1 g a1 > a2 :: a1 = 2 :: a2 = 1 p a2 p a1 q a1 q a2 q a3 q a4 q a5 1 2 3 4 5 Figure 4: Bubble Sort Program enhance the descriptive power of iteration constraints and make it possible to construct more complex programs from traces. Inference of conditional expressions allows generalization of computation traces that are wri...