nils-herrmann/clean_scirepeval huggingface dataset:
A Reference Vector Guided Evolutionary Algorithm for Many Objective Optimization
Venue: IEEE Transactions on Evolutionary Computation

In evolutionary multiobjective optimization, maintaining a good balance between convergence and diversity is particularly crucial to the performance of the evolutionary algorithms (EAs) In addition, it becomes increasingly important to incorporate user preferences because it will be less likely to achieve a representative subset of the Pareto optimal solutions using a limited population size as the number of objectives increases. This paper proposes a reference vector guided EA for many objective optimization. The reference vectors can be used not only to decompose the original multiobjective optimization problem into a number of single objective subproblems, but also to elucidate user preferences to target a preferred subset of the whole Pareto front (PF) In the proposed algorithm, a scalarization approach, termed angle penalized distance, is adopted to balance convergence and diversity of the solutions in the high dimensional objective space. An adaptation strategy is proposed to dynamically adjust the distribution of the reference vectors according to the scales of the objective functions. Our experimental results on a variety of benchmark test problems show that the proposed algorithm is highly competitive in comparison with five state of the art EAs for many objective optimization. In addition, we show that reference vectors are effective and cost efficient for preference articulation, which is particularly desirable for many objective optimization. Furthermore, a reference vector regeneration strategy is proposed for handling irregular PFs. Finally, the proposed algorithm is extended for solving constrained many objective optimization problems.
Rule of five in 2015 and beyond: Target and ligand structural limitations, ligand chemistry structure and drug discovery project decisions.
Venue: Advanced drug delivery reviews

The rule of five (Ro5) based on physicochemical profiles of phase II drugs, is consistent with structural limitations in protein targets and the drug target ligands. Three of four parameters in Ro5 are fundamental to the structure of both target and drug binding sites. The chemical structure of the drug ligand depends on the ligand chemistry and design philosophy. Two extremes of chemical structure and design philosophy exist; ligands constructed in the medicinal chemistry synthesis laboratory without input from natural selection and natural product (NP) metabolites biosynthesized based on evolutionary selection. Exceptions to Ro5 are found mostly among NPs. Chemistry chameleon like behavior of some NPs due to intra molecular hydrogen bonding as exemplified by cyclosporine A is a strong contributor to NP Ro5 outliers. The fragment derived, drug Navitoclax is an example of the extensive expertise, resources, time and key decisions required for the rare discovery of a non NP Ro5 outlier.
Molecular inflation, attrition and the rule of five.
Venue: Advanced drug delivery reviews

Physicochemical properties underlie all aspects of drug action and are critical for solubility, permeability and successful formulation. Specific physicochemical properties shown to be relevant to oral drugs are size, lipophilicity, ionisation, hydrogen bonding, polarity, aromaticity and shape. The rule of 5 (Ro5) and subsequent studies have raised awareness of the importance of compound quality amongst bioactive molecules. Lipophilicity, probably the most important physical property of oral drugs, has on average changed little over time in oral drugs, until increases in drugs published after 1990. In contrast other molecular properties such as average size have increased significantly. Factors influencing property inflation include the targets pursued, where antivirals frequently violate the Ro5, risk/benefit considerations, and variable drug discovery practices. The compounds published in patents from the pharmaceutical industry are on average larger, more lipophilic and less complex than marketed oral drugs. The variation between individual companies' patented compounds is due to different practices and not to the targets pursued. Overall, there is demonstrable physical property attrition in moving from patents to candidate drugs to marketed drugs. The pharmaceutical industry's recent poor productivity has been due, in part, to progression of molecules that are unable to unambiguously test clinical efficacy, and attrition can therefore be improved by ensuring candidate drug quality is 'fit for purpose. The combined ligand efficiency (LE) and lipophilic ligand efficiency (LLE) values of many marketed drugs are optimised relative to other molecules acting at the same target. Application of LLE in optimisation can help identify improved leads, even with challenging targets that seem to require lipophilic ligands. Because of their targets, some projects may need to pursue 'beyond Ro5' physicochemical space; such projects will require non standard lead generation and optimisation and should not dominate in a well balanced portfolio. Compound quality is controllable by lead selection and optimisation and should not be a cause of clinical failure.
A Control Chart for the Multivariate Coefficient of Variation
Venue: Qual. Reliab. Eng. Int.

Existing charts in the literature usually monitor either the mean or the variance of the process. However, in certain scenarios, the practitioner is not interested in the changes in the mean or the variance but is instead interested in monitoring the relative variability compared with the mean. This relative variability is called the coefficient of variation (CV) In the existing literature, none of the control charts that monitor the CV are applied for multivariate data. To fill this gap in research, this paper proposes a CV chart that monitors the CV for multivariate data. To the best of the authors' knowledge, this proposed chart is the first control chart for this purpose. The distributional properties of the sample CV for multivariate data and the procedures to implement the chart are presented in this paper. Formulae to compute the control limits, the average run length, the standard deviation of the run length, and the expected average run length for the case of unknown shift size are derived. From the numerical examples provided, the effects of the number of variables, the sample size, the shift size and the in control value of the CV are studied. Finally, we demonstrate the usefulness and applicability of the proposed chart on real data.
The efficiency of CUSUM schemes for monitoring the coefficient of variation

Continuous surveillance of the coefficient of variation is a quality control issue worthy of consideration in several manufacturing and service oriented companies. In this paper, we present a new method to monitor the squared coefficient of variation by means of two one sided cumulative sum type control charts. We study the run length properties of the proposed charts using a Markov chain approach. Several tables are given in order to show the sensitivity of the proposed charts for different deterministic shift sizes and their performance for the random shift size condition. The results show that the proposed control charts have attractive performance compared with some competing charts and are better in many cases. An illustrative example is discussed on a real dataset.
Telomere length measurement validity: the coefficient of variation is invalid and cannot be used to compare quantitative polymerase chain reaction and Southern blot telomere length measurement techniques.
Venue: International journal of epidemiology

Coefficient of variation Verhulst and colleagues note that the coefficient of variation (CV) may be a problematic measure of precision because it assumes that measurement error is proportional to the mean. There is, however, an even more fundamental problem with the CV measure. The CV statistic is an appropriate measure only for ratio variables, that is continuous variables with natural zero points (i.e. where zero clearly signifies having none of the thing being measured) In theory, the zero point of quantitative polymerase chain reaction (qPCR) measured telomere length (TL) represents the point of essentially no telomere sequence in a sample. For TL measured using Southern blot (SB) the zero point represents having no telomere and none of the sub telomeric portions which are also measured by SB. As shown below, these zero points between SB and qPCR measures do not correspond with each other and thereby create highly misleading estimates of measurement error. Further, within the same type of TL measure (SB or qPCR) the zero points often do not correspond across different implementations of these measurement techniques in different laboratories. When these zero points do not correspond, comparisons of CV are invalid. To illustrate the problem of calculating CVs for data where measures do not correspond in their zero points, consider temperature measured three times with a thermometer which has both degrees Celsius C) and degrees Fahrenheit F) scales on it (Table 1, columns 1 and 2) In this case, for C the CV is 10% but for F the CV is 3.6% This is because the zero points of both C and F are arbitrary and do not correspond with each other. As shown below, the same problem of differing zero points is evident in measuring TL. The problem of comparing CVs between qPCRand SB measured TL can be shown with an example similar to the temperature illustration above. This can be done by using the results of a previous regression analysis of the same DNA samples measured with qPCR and SB. This regression analysis with SB TL as the dependent variable (Y) and qPCR TL as the independent variable (X) yielded a b estimate of 3.33 kilobase pairs (kbp) and y intercept of 3.73 kbp. This y intercept value implies that when qPCR TL is at zero, SB TL would be measured as 3.73 kbp. Similarly large y intercept values are found in other
Bacterial magnetic nanoparticles for photothermal therapy of cancer under the guidance of MRI.
Venue: Biomaterials

The bacterial magnetic nanoparticles (BMPs) are biomineralized by the magnetotactic bacteria and naturally covered with a layer of biomembrane. Herein, BMPs were isolated and firstly used for the photothermal therapy (PTT) of cancer under the guidance of magnetic resonance imaging (MRI) in vitro and in vivo. The results showed that BMPs could rapidly convert the energy of 808 nm near infrared (NIR) light into heat. After internalization by the HepG2 tumor cells, BMPs with good biocompatibility could induce an efficient killing effect after NIR light irradiation, along with a change of mitochondrial membrane potential (DPsm) and level of intracellular reactive oxygen species (ROS) The in vivo therapy also confirms that PTT with BMPs could effectively and completely ablate the tumor in mice without inducing observable toxicity. T2 weighted MRI showed a clear tumor boundary and a 25% enhancement of negative contrast enhancement at the tumor site, suggesting that BMPs can act as an effective MRI contrast agent for guiding the PTT. Our results indicate that BMPs could be a potential theranostic agent for simultaneous MRI and PTT of cancer.
Estimation of Bending Moment Coefficients of Two Way Rc Slabs: Finite Element Approach

The main objective of this study is to find out the bending moment co efficient of two way reinforced concrete (RC) slabs.  Linear and nonlinear static analysis of single panel two way RC slabs have been performed in finite element program ANSYS 12.0. The yielding behavior of slabs for various edge restrained conditions in both linear and non linear analysis was studied.  The yield line patterns of slabs with all boundary conditions were observed. From the yielding pattern, it was studied that the longer edges yielding first followed by the shorter edges and mid span of slab. Based on the observation of yield line pattern, the bending moment coefficients were found. The obtained values were compared with IS: 456 recommendations. The comparison of analytical results show that the method adopted to obtain the moment coefficients of two way slabs is satisfactory.  Using detailed observation of yielding of slabs, the bending moment coefficients shall be arrived for the use of design of slabs of any irregular shapes.
Mobile Marketing Applications of Travel Agencies

In recent years, the use of mobile devices in the marketing world is increasing parallel with technological advances. The main problem of this research is to determine agencies' use of what type of mobile tools for what type of purposes in the marketing process. The aim of this research is to identify Mobile Marketing (MM) applications used by group A travel agencies, and to describe the attitudes towards MM applications of agencies. According to related law, it is only group A agencies give all agency services. Therefore, it is thought that MM is more widely used by those agencies. Thus, this research was made only on the group A agencies. The population of study was consisted of 675 groups A agencies' representatives deployed in the European and Asian sides of Istanbul. A questionnaire was used as data collection tool. Questionnaire form consisted of two parts. In the first part, questions concerning MM and in the second part, questions regarding demographic issues to managers and travel agents took place. The results were given as descriptive statistics (frequencies, percentages, mean and standard deviation) on the tables. T test and One Way ANOVA analysis were performed for the differences of mean among groups. In the study it was concluded that agencies use mobile phones mostly and mobile computers for increasing sales firstly and direct marketing. Thus, the main hypothesis established was confirmed partly.
Business Statesman or Shareholder Advocate? CEO Responsible Leadership Styles and the Micro Foundations of Political CSR

In this article we pursue two objectives. First, we refine the concept of responsible leadership from an upper echelon perspective by exploring two distinct styles (instrumental and integrative) and thereby further developing the understanding of the newly emerging integrative style. Second, we propose a framework that examines the micro foundations of political corporate social responsibility (CSR) We explicate how the political CSR engagement of organizations (in social innovation and multi stakeholder initiatives) is influenced by responsible leadership styles and posit that most CEOs tend to espouse either instrumental or integrative responsible leadership approaches, based on perceived moral obligations toward shareholders or stakeholders. We examine the moderating effects of societal and organizational level factors (such as power distance and corporate governance) and individual level influences (such as cognitive and social complexity) We discuss both approaches with respect to their effectiveness in dealing with political CSR challenges in a complex environment and conclude that an instrumental responsible leadership style may be effective in relatively stable settings with strong institutional arrangements, while the complex and unstable context of a post national constellation with weak institutions calls for an integrative responsible leadership style. The latter can be expected to be more effective in dealing with political CSR challenges in a global world, contributing to closing governance gaps and producing sustainable outcomes for societies.
Query competitive algorithms for cheapest set problems under uncertainty
Venue: Theor. Comput. Sci.

Considering the model of computing under uncertainty where element weights are uncertain but can be obtained at a cost by query operations, we study the problem of identifying a cheapest (minimum weight) set among a given collection of feasible sets using a minimum number of queries of element weights. For the general case we present an algorithm that makes at most d OPT d queries, where d is the maximum cardinality of any given set and OPT is the optimal number of queries needed to identify a cheapest set. For the minimum multi cut problem in trees with d terminal pairs, we give an algorithm that makes at most d OPT 1 queries. For the problem of computing a minimum weight base of a given matroid, we give an algorithm that makes at most 2 OPT queries, generalizing a known result for the minimum spanning tree problem. For each of the above algorithms we give matching lower bounds. We also settle the complexity of the verification version of the general cheapest set problem and the minimum multi cut problem in trees under uncertainty.
Cognitive Neuroscience Of Emotion

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Privacy Aware Dynamic Ride Sharing
Venue: ACM Trans. Spatial Algorithms Syst.

Dynamic ride sharing is a service that enables shared vehicle rides in real time and on short notice. It can be an effective solution to counter the problem of increasing traffic jams at peak hours in cities. The growing use and popularity of smart phones and GPS enabled devices provides us with tools required to efficiently implement ride sharing and significantly enhance carpooling. However, privacy and safety concerns are the main obstacles faced when encouraging people to use such a service. In this work, we present "Match Maker," a negotiation based model that hides exact location information data for system participants while implementing privacy preserving ride sharing. We use the concept of imprecision (not being precise about location of the user out of set of n locations) and follow the idea of obfuscation, which equates a higher degree of imprecision with a higher degree of privacy. We identify two attack types that could circumvent privacy preserving ride sharing. We compare the Match Maker model with the standard central trusted server model collecting precise location data, which we term eBay model. We provide the first comprehensive approach that integrates privacy, safety and trust in a single model. We present a recursive ellipse based algorithm to compute an optimal driver path as well as three negotiation strategies for drivers and passengers. We conduct extensive experiments on real road networks and compare the strategies for privacy and effectiveness of ride sharing in terms of traffic load and vehicle km reduction. We show that ride sharing saves between 9% and 21% (on average 12% of vehicle km if drivers are only prepared to accept slight detours of their usual trips. In the city of Melbourne, with 11.6 million trips a weekday and an average trip length of 10.2 km, this would save 14.2 million km per weekday.
Accuracy analysis of a multi closed loop deployable mechanism

The multi closed loop deployable mechanism generates distortion which is caused by the deviation of each rod after being assembled as a result of manufacturing error, which leads to the degradation of the antenna performance or excess of the given envelope. The multi closed loop deployable mechanisms consist of many closed loops and have complicated topology structure and loop constraints coupling. The positioning accuracy analysis of such mechanism is more difficult than the open chain mechanisms or the single loop mechanisms. In order to solve this problem, first, based on the minimum of elastic deformation energy, the distortion analysis model is constructed. Second, the sensitivity of the mechanism distortion to the individual rod deviation is investigated by examining the Lagrange multipliers. By means of this model, the allowable tolerance of multi closed loop deployable mechanism is discussed and calculated. Last but not least, the above method and model are applied to the four closed loop deployable mechanism to solve the problems of its distortion, sensitivity, and tolerance in both fully deployed and folded configurations. It is demonstrated in this paper that the model and method proposed are well accommodated to the accuracy analysis of such mechanisms. The achievement of the research will help reduce the difficulties of the assembling and manufacturing of the multi closed loop deployable mechanisms.
Accuracy model, analysis, and adjustment in the context of multi closed loop planar deployable mechanisms

The links of the multi closed loop deployable mechanism are generally adjusted when being assembled, for the purpose of making the whole mechanism satisfy the requirements in fully deployed, folded, or the other key configurations. In order to calculate the appropriate adjustment amount, the complex adjustment amount of the whole mechanism is first defined by root mean square. And then, the adjustment model for planar mechanism involving different constraints is constructed according to the different situations. Through linearization of this model, it can be applied to calculate the adjustment sensitivity of this type of mechanisms. Second, with the factor of the practical adjustment in engineering, the three computation modes of adjustment (bidirectional adjustment, invariant adjustment, and unidirectional adjustment) have been developed. Furthermore, the multi configuration adjustment approach has been proposed to make the assembled mechanism satisfy the requirements in different configurations. At last, all the above approaches in this article have been implemented in the scissor like element mechanism and two loop deployable mechanism. The achievement of this research provides a significant reference for assembling the multi closed loop mechanisms.
Interest Profiling for Security Monitoring and Forensic Investigation
Venue: ACISP

User interest profiles are of great importance for security monitoring and forensic investigation. Once a specific topic becomes sensitive or suspected, being able to quickly determine who has shown an interest in that topic can assist investigators to focus their attention from massive data and develop effective investigation strategies. To automatically generate user interest profiles, we extend Author Topic model to explicitly model user's dynamic interest based on the text information posted by the user. Our model is able to monitor the evolution of user interest from time stamped documents. Moreover, instead of modeling a topic as a multinomial distribution over words, we develop a model that can discover and output multi word phrases to describe topics, which facilitates the human interpretation of unorganized texts. Therefore, our technique has the potential to reduce the cost of investigation and discover latent evidence that is often missed by expression based searches. We evaluate the effectiveness and performance of our algorithm on a real life forensic dataset Enron. The experiment results demonstrate that our algorithm can effectively discover user's dynamic interest. The generated user interest profiles can further assist investigator to discover the latent evidence effectively from textual forensic data and perform security monitoring.