Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment

Chemical features of small molecules can be abstracted to 3D pharmacophore models, which are easy to generate, interpret, and adapt by medicinal chemists. Three-dimensional pharmacophores can be used to efficiently match and align molecules according to their chemical feature pattern, which facilitates the virtual screening of even large compound databases. Existing alignment methods, used in computational drug discovery and bio-activity prediction, are often not suitable for finding matches between pharmacophores accurately as they purely aim to minimize RMSD or maximize volume overlap, when the actual goal is to match as many features as possible within the positional tolerances of the pharmacophore features. As a consequence, the obtained alignment results are often suboptimal in terms of the number of geometrically matched feature pairs, which increases the false-negative rate, thus negatively affecting the outcome of virtual screening experiments. We addressed this issue by introducing a new alignment algorithm, Greedy 3-Point Search (G3PS), which aims at finding optimal alignments by using a matching-feature-pair maximizing search strategy while at the same time being faster than competing methods.

Preference Oriented Mining Techniques for Location based Point Search

With the development of internet and wireless technologies, location based search is among the most discussed topic in current era. To address issues of location based search a lot of research has been done but it mainly focused on the specific aspects of the domain like most of the studies focused, on the search of nearby restaurants, shopping malls, hospitals, stores etc., by utilizing location of users as searching criteria. Problem with these studies is that users might not be satisfied by their results and the sole reason behind this might be the absence of user preferences in the search criteria. There exists some studies which focused user preferences along with user location and query time and proposed some frameworks but they are only limited to stores and their research cannot be scaled to other points like schools, hospitals, doctors , petrol pumps, gas station etc. Moreover there exist scalability issues in their recommended algorithms along with some data credibility issues in their public evaluations strategies. Our proposed research is going to present a novel location based searching technique not only for stores but for any point. The presented solution has overcome issues faced in previous research studies and possesses capability to search for “K” nearest points which are most preferable by user, by utilizing searching time as well as query location. Our research has proposed two feedback learning algorithms and one ranking algorithm. To increase the credibility of public evaluation score, system have utilized Google ranking approach while calculating the score of the point. To make user recommendations nonvolatile along with improving recommendations algorithm efficiency, proposed system have introduced item to item collaborative filtering algorithm. Through experimental evaluations on real dataset of yelp.com presented research have shown significant gain in performance and accuracy.

Semantic relatedness maximisation for word sense disambiguation using a hybrid firefly algorithm

Word sense disambiguation (WSD) refers to determining the right meaning of a vague word using its context. The WSD intermediately consolidates the performance of final tasks to achieve high accuracy. Mainly, a WSD solution improves the accuracy of text summarisation, information retrieval, and machine translation. This study addresses the WSD by assigning a set of senses to a given text, where the maximum semantic relatedness is obtained. This is achieved by proposing a swarm intelligence method, called firefly algorithm (FA) to find the best possible set of senses. Because of the FA is based on a population of solutions, it explores the problem space more than exploiting it. Hence, we hybridise the FA with a one-point search algorithm to improve its exploitation capacity. Practically, this hybridisation aims to maximise the semantic relatedness of an eligible set of senses. In this study, the semantic relatedness is measured by proposing a glosses-overlapping method enriched by the notion of information content. To evaluate the proposed method, we have conducted intensive experiments with comparisons to the related works based on benchmark datasets. The obtained results showed that our method is comparable if not superior to the related works. Thus, the proposed method can be considered as an efficient solver for the WSD task.

Full Model Selection Problem and Pipelines for Time-Series Databases: Contrasting Population-Based and Single-point Search Metaheuristics

The increasing production of temporal data, especially time series, has motivated valuable knowledge to understand phenomena or for decision-making. As the availability of algorithms to process data increases, the problem of choosing the most suitable one becomes more prevalent. This problem is known as the Full Model Selection (FMS), which consists of finding an appropriate set of methods and hyperparameter optimization to perform a set of structured tasks as a pipeline. Multiple approaches (based on metaheuristics) have been proposed to address this problem, in which automated pipelines are built for multitasking without much dependence on user knowledge. Most of these approaches propose pipelines to process non-temporal data. Motivated by this, this paper proposes an architecture for finding optimized pipelines for time-series tasks. A micro-differential evolution algorithm (µ-DE, population-based metaheuristic) with different variants and continuous encoding is compared against a local search (LS, single-point search) with binary and mixed encoding. Multiple experiments are carried out to analyze the performance of each approach in ten time-series databases. The final results suggest that the µ-DE approach with rand/1/bin variant is useful to find competitive pipelines without sacrificing performance, whereas a local search with binary encoding achieves the lowest misclassification error rates but has the highest computational cost during the training stage.

A new method on motion planning for mobile robots using jump point search and Bezier curves

Innovative applications in rapidly evolving domains such as robotic navigation and autonomous (driverless) vehicles rely on motion planning systems that meet the shortest path and obstacle avoidance requirements. This article proposes a novel path planning algorithm based on jump point search and Bezier curves. The proposed algorithm consists of two main steps. In the front end, the improved heuristic function based on distance and direction is used to reduce the cost, and the redundant turning points are trimmed. In the back end, a novel trajectory generation method based on Bezier curves and a straight line is proposed. Our experimental results indicate that the proposed algorithm provides a complete motion planning solution from the front end to the back end, which can realize an optimal trajectory from the initial point to the target point used for robot navigation.