Graph-Based Shape Analysis Beyond Context-Freeness

We develop a shape analysis for reasoning about relational properties of data structures. Both the concrete and the abstract domain are represented by hypergraphs. The analysis is parameterized by user-supplied indexed graph grammars to guide concretization and abstraction. This novel extension of context-free graph grammars is powerful enough to model complex data structures such as balanced binary trees with parent pointers, while preserving most desirable properties of context-free graph grammars. One strength of our analysis is that no artifacts apart from grammars are required from the user; it thus offers a high degree of automation. We implemented our analysis and successfully applied it to various programs manipulating AVL trees, (doubly-linked) lists, and combinations of both

Ab initio study of canted magnetism of finite atomic chains at surfaces

By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first principles point of view, this simple model can be best related to the so--called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach we use to search for the canted magnetic ground state is first principles adiabatic spin dynamics extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms an a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven--atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly noncollinear.Comment: 8 pages, 5 figures; presented on the International Conference on Nanospintronics Design and Realizations, Kyoto, Japan, May 2004; to appear in J. Phys.: Cond. Matte

Bond breaking in vibrationally excited methane on transition metal catalysts

The role of vibrational excitation of a single mode in the scattering of methane is studied by wave packet simulations of oriented CH4 and CD4 molecules from a flat surface. All nine internal vibrations are included. In the translational energy range from 32 up to 128 kJ/mol we find that initial vibrational excitations enhance the transfer of translational energy towards vibrational energy and increase the accessibility of the entrance channel for dissociation. Our simulations predict that initial vibrational excitations of the asymmetrical stretch (nu_3) and especially the symmetrical stretch (nu_1) modes will give the highest enhancement of the dissociation probability of methane.Comment: 4 pages REVTeX, 2 figures (eps), to be published in Phys. Rev. B. (See also arXiv:physics.chem-ph/0003031). Journal version at http://publish.aps.org/abstract/PRB/v61/p1565

A Monte Carlo study of temperature-programmed desorption spectra with attractive lateral interactions

We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with initial coverage. The system has a transition temperature below which the desorption has a negative order. An analytical expression for this temperature is derived. The relation between the model and real systems is discussed.Comment: Accepted for publication in Phys.Rev.B15, 10 pages (REVTeX), 2 figures (PostScript); discussion about Xe/Pt(111) adde

Semantic Sentiment Analysis of Twitter Data

Internet and the proliferation of smart mobile devices have changed the way information is created, shared, and spreads, e.g., microblogs such as Twitter, weblogs such as LiveJournal, social networks such as Facebook, and instant messengers such as Skype and WhatsApp are now commonly used to share thoughts and opinions about anything in the surrounding world. This has resulted in the proliferation of social media content, thus creating new opportunities to study public opinion at a scale that was never possible before. Naturally, this abundance of data has quickly attracted business and research interest from various fields including marketing, political science, and social studies, among many others, which are interested in questions like these: Do people like the new Apple Watch? Do Americans support ObamaCare? How do Scottish feel about the Brexit? Answering these questions requires studying the sentiment of opinions people express in social media, which has given rise to the fast growth of the field of sentiment analysis in social media, with Twitter being especially popular for research due to its scale, representativeness, variety of topics discussed, as well as ease of public access to its messages. Here we present an overview of work on sentiment analysis on Twitter.Comment: Microblog sentiment analysis; Twitter opinion mining; In the Encyclopedia on Social Network Analysis and Mining (ESNAM), Second edition. 201

Helicoidal magnetic order in a clean copper oxide spin chain compound

We report susceptibility, specific heat, and neutron diffraction measurements on NaCu$_2$O$_2$, a spin-1/2 chain compound isostructural to LiCu$_2$O$_2$, which has been extensively investigated. Below 13 K, we find a long-range ordered, incommensurate magnetic helix state with a propagation vector similar to that of LiCu$_2$O$_2$. In contrast to the Li analogue, substitutional disorder is negligible in NaCu$_2$O$_2$. We can thus rule out that the helix is induced by impurities, as was claimed on the basis of prior work on LiCu$_2$O$_2$. A spin Hamiltonian with frustrated longer-range exchange interactions provides a good description of both the ordered state and the paramagnetic susceptibility.Comment: 4 pages, 4 figures Improved Fig.1 and 4. Minor rephrasing. Reference adde

Assessing Human Error Against a Benchmark of Perfection

An increasing number of domains are providing us with detailed trace data on human decisions in settings where we can evaluate the quality of these decisions via an algorithm. Motivated by this development, an emerging line of work has begun to consider whether we can characterize and predict the kinds of decisions where people are likely to make errors. To investigate what a general framework for human error prediction might look like, we focus on a model system with a rich history in the behavioral sciences: the decisions made by chess players as they select moves in a game. We carry out our analysis at a large scale, employing datasets with several million recorded games, and using chess tablebases to acquire a form of ground truth for a subset of chess positions that have been completely solved by computers but remain challenging even for the best players in the world. We organize our analysis around three categories of features that we argue are present in most settings where the analysis of human error is applicable: the skill of the decision-maker, the time available to make the decision, and the inherent difficulty of the decision. We identify rich structure in all three of these categories of features, and find strong evidence that in our domain, features describing the inherent difficulty of an instance are significantly more powerful than features based on skill or time.Comment: KDD 2016; 10 page