27 papers · ranked by Valyu relevance
Andrew N. Sloss
Algorithms are becoming more capable, and with that comes hic sunt dracones ("here be dragons"). The term symbolizes areas beyond our known maps. We use this term since we are stepping into an exciting, potentially dangerous, and unknown area with algorithms. Our curiosity to understand the natural world drives our…
Jan Mendling, Henrik Leopold, Henning Meyerhenke, Benoît Depaire
Research on algorithms has drastically increased in recent years. Various sub-disciplines of computer science investigate algorithms according to different objectives and standards. This plurality of the field has led to various methodological advances that have not yet been transferred to neighboring sub-disciplines.…
Jan Mendling, Benoît Depaire, Henrik Leopold
There is an ongoing debate in computer science how algorithms should best be studied. Some scholars have argued that experimental evaluations should be conducted, others emphasize the benefits of formal analysis. We believe that this debate less of a question of either-or, because both views can be integrated into an…
Leila Ribeiro, Luciana Foss, Simone André da Costa Cavalheiro
O objetivo deste artigo é esclarecer o significado de Pensamento Computacional. Diferencia-se o raciocínio lógico do computacional e discute-se a importância do Pensamento Computacional na resolução de problemas. Os três pilares do Pensamento Computacional - Abstração, Automação e Análise - são delineados…
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…
Edward A. Lee
“Rationality” in Simon's “bounded rationality” is the principle that humans make decisions on the basis of step-by-step (algorithmic) reasoning using systematic rules of logic to maximize utility. “Bounded rationality” is the observation that the ability of a human brain to handle algorithmic complexity and large…
Juan Song, Bangfu Wang, Xiaohong Hao, Yufei Gao
In modern manufacturing, optimization algorithms have become a key tool for improving the efficiency and quality of machining technology. As computing technology advances and artificial intelligence evolves, these algorithms are assuming an increasingly vital role in the parameter optimization of machining processes.…
Elzbieta Gawronska, Maria Zych, Robert Dyja, Grzegorz Domek
The article shows the usage of swarming algorithms for reconstructing the heat transfer coefficient regarding the continuity boundary condition. Numerical calculations were performed using the authors’ own application software with classical forms of swarm algorithms implemented. A functional determining error of the…
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…
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…
Jose Torres-Jimenez, Nelson Rangel-Valdez, Himer Avila-George, Oscar Carrizalez-Turrubiates + 1 more
'Oscar Carrizalez-Turrubiates' 'M. Sohel Rahman'] Software test suites based on the concept of interaction testing are very useful for testing software components in an economical way. Test suites of this kind may be created using mathematical objects called covering arrays. A covering array, denoted by CA(N; t, k, v)…
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…
Omer Sabary, Alexander Yucovich, Guy Shapira, Eitan Yaakobi
In the trace reconstruction problem a length-n string x yields a collection of noisy copies, called traces, y_1_, …, y_t_ where each y_i_ is independently obtained from x by passing through a deletion channel, which deletes every symbol with some fixed probability. The main goal under this paradigm is to determine the…
Daniel J. Mankowitz, Andrea Michi, Anton Zhernov, Marco Gelmi + 26 more
'Marco Selvi' 'Cosmin Paduraru' 'Edouard Leurent' 'Shariq Iqbal' 'Jean-Baptiste Lespiau' 'Alex Ahern' 'Thomas Köppe' 'Kevin Millikin' 'Stephen Gaffney' 'Sophie Elster' 'Jackson Broshear' 'Chris Gamble' 'Kieran Milan' 'Robert Tung' 'Minjae Hwang' 'Taylan Cemgil' 'Mohammadamin Barekatain' 'Yujia Li' 'Amol Mandhane'…
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…
Changin Oh, Kathleen P. Wilkie
We present the Toroidal Search Algorithm (TSA), a novel population-based metaheuristic optimization method inspired by the topology of a torus. Conventional metaheuristics frequently suffer from boundary stagnation, a phenomenon that severely degrades performance in bounded and high-dimensional search spaces. TSA…
Authors not listed
Step-by-step thinking is essential in all domains of chemical sciences and engineering. While machine learning tools are broadly used, algorithms that automate reasoning are far less common. We elaborate on seven categories of human reasoning activities and connect each to applications in chemical science and…
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…
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…
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…
Yifan Wu, Aron Walsh, Alex Ganose
What is the minimum number of experiments, or calculations, required to find an optimal solution? Relevant chemical problems range from identifying a compound with target functionality within a given phase space to controlling materials synthesis and device fabrication conditions. A common feature in this application…
Juan P. Franco, Karlo Doroc, Nitin Yadav, Peter Bossaerts + 1 more
The survival of human organisms depends on our ability to solve complex tasks in the face of limited cognitive resources. However, little is known about the factors that drive the complexity of those tasks. Here, building on insights from computational complexity theory, we quantify the computational hardness of…
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…
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…
Authors not listed
The integration of machine learning methods is transforming many areas of research by, for instance, accelerating molecular dynamics simulations and enabling improved prediction and optimization of chemical reactions. However, despite this progress, the adoption of data-driven approaches in atomic layer deposition…
Authors not listed
Computer-aided synthesis planning aims to identify viable synthetic routes from a target compound to readily available building blocks by iteratively decomposing molecules into smaller precursors. Self-play search algorithms, trained with simulated experience, reach state-of-the-art performance. However, these methods…
Authors not listed
Automated chemistry platforms hold the potential to enable large-scale organic synthesis campaigns, such as producing a library of compounds for biological evaluation. The efficiency of such platforms will depend on the schedule according to which the synthesis operations are executed. In this work, we study the…