Efficient mining of top-k breaker emerging subgraph patterns from graph datasets

This paper introduces a new type of discriminative subgraph pattern called breaker emerging subgraph pattern by introducing three constraints and two new concepts: base and breaker. A breaker emerging sub-graph pattern consists of three subpatterns: a con-strained emerging subgraph pattern, a set of bases and a set of breakers. An efficient approach is pro-posed for the discovery of top-k breaker emerging sub-graph patterns from graph datasets. Experimental re-sults show that the approach is capable of efficiently discovering top-k breaker emerging subgraph patterns from given datasets, is more efficient than two previ-ous methods for mining discriminative subgraph pat-terns. The discovered top-k breaker emerging sub-graph patterns are more informative, more discrim-inative, more accurate and more compact than the minimal distinguishing subgraph patterns. The top-k breaker emerging patterns are more useful for sub-structure analysis, such as molecular fragment analy-sis. © 2009, Australian Computer Society, Inc.

On the definition of an kinematic hardening effect graph for sheet metal forming process simulations

The objective of this work is to develop a kinematic hardening effect graph (KHEG) which can be used to evaluate the effect of kinematic hardening on the model accuracy of numerical sheet metal forming simulations and this without the need of complex material characterisation. The virtual manufacturing process design and optimisation depends on the accuracy of the constitutive models used to represent material behaviour. Under reverse strain paths the Bauschinger effect phenomenon is modelled using kinematic hardening models. However, due to the complexity of the experimental testing required to characterise this phenomenon in this work the KHEG is presented as an indicator to evaluate the potential benefit of carrying out these tests. The tool is validated with the classic three point bending process and the U-channel width drawbead process. In the same way, the capability of the KHEG to identify effects in forming processes that do not include forming strain reversals is identified.

Identifying affinity classes of inorganic materials binding sequences via a graph-based model

Rapid advances in bionanotechnology have recently generated growing interest in identifying peptides that bind to inorganic materials and classifying them based on their inorganic material affinities. However, there are some distinct characteristics of inorganic materials binding sequence data that limit the performance of many widely-used classification methods when applied to this problem. In this paper, we propose a novel framework to predict the affinity classes of peptide sequences with respect to an associated inorganic material. We first generate a large set of simulated peptide sequences based on an amino acid transition matrix tailored for the specific inorganic material. Then the probability of test sequences belonging to a specific affinity class is calculated by minimizing an objective function. In addition, the objective function is minimized through iterative propagation of probability estimates among sequences and sequence clusters. Results of computational experiments on two real inorganic material binding sequence data sets show that the proposed framework is highly effective for identifying the affinity classes of inorganic material binding sequences. Moreover, the experiments on the structural classification of proteins (SCOP) data set shows that the proposed framework is general and can be applied to traditional protein sequences.

Studies on the interaction between malanin and metal ions by fluorescence spectra methods

A novel protein with anti-tumor activities named malanin was isolated and purified from an endemic plant in Yunnan and Guangxi provinces. Effects of copper ion, silver ion and calcium ion on malanin and apo-malanin fluorescence spectra were studied. The results showed that copper ion leads to obvious statistic quenching of malanin and apo-malanin fluorescence. The dissociation constant of them from malanin and apo-malanin were about 2.37×10-4 and 2.66×10-4 mol·L-1, respectively. The silver ion did not have quenching action on malanin fluorescence, but it had statistic quenching effect on apo-malanin fluorescence, and its dissociation constant was 2.37×10-4 mol·L-1. Calcium ion did not have quenching action on malanin and apo-malanin fluorescence. It plays an important role in keeping malanin natural conformation.

Temperature-dependent Raman spectra of bamboo-like boron nitride nanotubes

Phonon properties of boron nitride nanotubes (BNNTs) were investigated using Raman spectroscopy at different temperatures and new sp3- bonded BN vibrations were identified. The Raman peak of the E2g mode of BNNTs is found to be downshifted and broadened compared to that of hexagonal BN at the same temperature. By increasing the temperature, the energy of the E2g mode and the sp3-bonding mode are downshifted, with the temperature coefficients being -0.010 and -0.069cm-1/K, respectively. We attribute this downshifting to anharmonic effects as well as the elongation of the B-N bond in BNNT structures with increasing temperature. © 2014 The Japan Society of Applied Physics.

Propagation model of smartphone worms based on semi-Markov process and social relationship graph

Smartphone applications are getting more and more popular and pervasive in our daily life, and are also attractive to malware writers due to their limited computing source and vulnerabilities. At the same time, we possess limited understanding of our opponents in cyberspace. In this paper, we investigate the propagation model of SMS/MMS-based worms through integrating semi-Markov process and social relationship graph. In our modeling, we use semi-Markov process to characterize state transition among mobile nodes, and hire social network theory, a missing element in many previous works, to enhance the proposed mobile malware propagation model. In order to evaluate the proposed models, we have developed a specific software, and collected a large scale real-world data for this purpose. The extensive experiments indicate that the proposed models and algorithms are effective and practical. © 2014 Elsevier Ltd. All rights reserved.

A graph-based model for context-aware recommendation using implicit feedback data

Recommender systems have been successfully dealing with the problem of information overload. However, most recommendation methods suit to the scenarios where explicit feedback, e.g. ratings, are available, but might not be suitable for the most common scenarios with only implicit feedback. In addition, most existing methods only focus on user and item dimensions and neglect any additional contextual information, such as time and location. In this paper, we propose a graph-based generic recommendation framework, which constructs a Multi-Layer Context Graph (MLCG) from implicit feedback data, and then performs ranking algorithms in MLCG for context-aware recommendation. Specifically, MLCG incorporates a variety of contextual information into a recommendation process and models the interactions between users and items. Moreover, based on MLCG, two novel ranking methods are developed: Context-aware Personalized Random Walk (CPRW) captures user preferences and current situations, and Semantic Path-based Random Walk (SPRW) incorporates semantics of paths in MLCG into random walk model for recommendation. The experiments on two real-world datasets demonstrate the effectiveness of our approach.

Graph-induced restricted Boltzmann machines for document modeling

Discovering knowledge from unstructured texts is a central theme in data mining and machine learning. We focus on fast discovery of thematic structures from a corpus. Our approach is based on a versatile probabilistic formulation – the restricted Boltzmann machine (RBM) –where the underlying graphical model is an undirected bipartite graph. Inference is efficient document representation can be computed with a single matrix projection, making RBMs suitable for massive text corpora available today. Standard RBMs, however, operate on bag-of-words assumption, ignoring the inherent underlying relational structures among words. This results in less coherent word thematic grouping. We introduce graph-based regularization schemes that exploit the linguistic structures, which in turn can be constructed from either corpus statistics or domain knowledge. We demonstrate that the proposed technique improves the group coherence, facilitates visualization, provides means for estimation of intrinsic dimensionality, reduces overfitting, and possibly leads to better classification accuracy.

Enhancement of medical named entity recognition using graph-based features

Named Entity Recognition (NER) is a crucial step in text mining. This paper proposes a new graph-based technique for representing unstructured medical text. The new representation is used to extract discriminative features that are able to enhance the NER performance. To evaluate the usefulness of the proposed graph-based technique, the i2b2 medication challenge data set is used. Specifically, the 'treatment' named entities are extracted for evaluation using six different classifiers. The F-measure results of five classifiers are enhanced, with an average improvement of up to 26% in performance.