22 papers · ranked by Valyu relevance
C.A. Middelburg
The starting point of this paper is a collection of properties of an algorithm that have been distilled from the informal descriptions of what an algorithm is that are given in standard works from the mathematical and computer science literature. Based on that, the notion of a proto-algorithm is introduced. The thought…
Xin‐She Yang
- Algorithm: An algorithm is a step-by-step, computational procedure or a set of rules to be followed by a computer in calculations or computing an answer to a problem. - Ant colony optimization: Ant colony optimization (ACO) is an algorithm for solving optimization problems such as routing problems using multiple…
Emmanuel Beffara
The question of the definition of what is an algorithm is recurrent. It is found in teaching, at different levels and particularly in secondary education because of the recent evolutions in high school, with immediate consequences in higher education. It is found in mediation, with the different meanings that the word…
Timothy H. Lehmann
The aim of this study is to examine how algorithmatizing tasks engage mathematics students in algorithmic thinking. Structured, task-based interviews were conducted with eight Year 12 students as they completed a sequence of algorithmatizing tasks involving maximum flow problems. A deductive-inductive analytical…
Yuyong Tan, Jianfeng Wang, Bin Wang, Yongquan Zhou
The intelligent optimization algorithm has become a key tool in complex and intertwined engineering and science fields. However, with the increasing complexity of the problem and the rapid expansion of the data scale, the performance of the algorithm has been challenged unprecedentedly. The artificial lemming algorithm…
Cliff C. Kerr, Salvador Dura-Bernal, Tomasz G. Smolinski, George L. Chadderdon + 2 more
'George L. Chadderdon' 'David P. Wilson' 'Lars Kaderali'] When standard optimization methods fail to find a satisfactory solution for a parameter fitting problem, a tempting recourse is to adjust parameters manually. While tedious, this approach can be surprisingly powerful in terms of achieving optimal or near-optimal…
Shinwoo An, Eunjin Oh, Jie Xue
In this paper, we present efficient algorithms for the single-source shortest path problem in weighted disk graphs. A disk graph is the intersection graph of a family of disks in the plane. Here, the weight of an edge is defined as the Euclidean distance between the centers of the disks corresponding to the endpoints…
Mohammad Reza Sharifi, Saeid Akbarifard, Mohamad Reza Madadi, Kourosh Qaderi + 1 more
The use of evolutionary algorithms (EAs) for solving complex engineering problems has been very promising, so the application of EAs for optimal operation of hydropower reservoirs can be of great help. Accordingly, this study investigates the capability of 14 recently-introduced robust EAs in optimization of energy…
Authors not listed
Identifying synthesis routes from knowledge graphs poses challenges beyond retrosynthesis, including path–finding artifacts and data issues. We introduce “SynGPS”, a novel algorithm that overcomes these limitations by identifying viable routes even with common artifacts. SynGPS can resolve nonsensical cycles…
Arthur Milchior
We consider the three graph search algorithm LexDFS, LexUP and LexDOWN. We show that LexUP orderings can be computed in linear time by an algorithm similar to the one which compute LexBFS. Furthermore, LexDOWN orderings and LexDFS orderings can be computed in time (n + m log m) where n is the number of vertices and m…
Akram Y. Sarhan, Loai Kayed B. Melhim, Mahdi Jemmali, Faycel El Ayeb + 3 more
'Hadeel Alharbi' 'Ameen Banjar' 'Željko Stević'] Logistics and sourcing management are core in any supply chain operation and are among the critical challenges facing any economy. The specialists classify transport operations and warehouse management as two of the biggest and costliest challenges in logistics and…
Fabio F. de Oliveira, Leonardo A. Dias, Marcelo A. C. Fernandes
In bioinformatics, alignment is an essential technique for finding similarities between biological sequences. Usually, the alignment is performed with the Smith-Waterman (SW) algorithm, a well-known sequence alignment technique of high-level precision based on dynamic programming. However, given the massive data volume…
Jonas Verhellen
Computer-assisted design of small molecules has experienced a resurgence in academic and indus- trial interest due to the widespread use of data-driven techniques such as deep generative models. While the ability to generate molecules that fulfill required chemical properties is encouraging, the use of deep learning…
Ragnar Groot Koerkamp, Igor Martayan
Because of the rapidly-growing amount of sequencing data, computing sketches of large textual datasets has become an essential preprocessing task. These sketches are typically much smaller than the input sequences, but preserve sufficient information for downstream analysis. Minimizers are an especially popular…
Lionel Zoubritzky, François-Xavier Coudert
We present here an open-source Julia library for the topological identification of crystalline materials, with algorithmic and computational improvements over the previously available software in the field, resulting in a speed increase of one order of magnitude. This new algorithm and implementation can therefore be…
Yu Liu, Maosheng Fu, Chaochuan Jia, Zhengyu Liu + 5 more
Unmanned aerial vehicle path planning faces multiple challenges in terms of effectiveness and safety. Traditional optimization methods are difficult to use to effectively find the best route. An enhanced artificial lemming optimization algorithm (ALAEN) is proposed here, which introduces stochastic differential…
Arseny Shur, Ido Tziony, Yaron Orenstein
Minimizers are sampling schemes which are ubiquitous in almost any high-throughput sequencing analysis. Assuming a fixed alphabet of size σ, a minimizer is defined by two positive integers k, w and a linear order ρ on k-mers. A sequence is processed by a sliding window algorithm that chooses in each window of length w…
Páll Melsted, Bjarni V. Halldórsson
Several applications in bioinformatics, such as genome assemblers and error corrections methods, rely on counting and keeping track of k-mers (substrings of length k). Histograms of k-mer frequencies can give valuable insight into the underlying distribution and indicate the error rate and genome size sampled in the…
Qi Zhang, Chang Liu, Stephen Wu, Ryo Yoshida
In the last few years, de novo molecular design using machine learning has made great technical progress but its practical deployment has not been as successful. This is mostly owing to the cost and technical difficulty of synthesizing such computationally designed molecules. To overcome such barriers, various methods…
Authors not listed
Chemical reactions are regarded as transformations of chemical structures, and the question of which atoms in the reactants correspond to which atoms in the products has attracted chemists for a long time. Atom-to-atom mapping (AAM) is a procedure that establishes such correspondence(s) between the atoms of reactants…
Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck
The generation of constitutional isomer chemical spaces has been a subject of cheminformatics since the early 1960s, with applications in structure elucidation and elsewhere. In order to perform such a generation efficiently, exhaustively and isomorphism-free, the structure generator needs to ensure the building of…
Oskar Weser, Björn Hein Hanke, Ricardo Mata
In this work, we present a fully automated method for the construction of chemically meaningful sets of non-redundant internal coordinates (also commonly denoted as Z-matrices) from the cartesian coordinates of a molecular system. Particular focus is placed on avoiding ill-definitions of angles and dihedrals due to…