23 papers · ranked by Valyu relevance
Krasimir Yordzhev
Some randomized algorithms, used to obtain a random n 2 × n 2 Sudoku matrix, where n is a natural number, is reviewed in this study. Below is described the set Πn of all (2n) × n matrices, consisting of elements of the set Zn = {1, 2, . . . , n}, such that every row is a permutation. It is proved that such matrices…
James Aspnes
| | Table of contents | | | ii | | --- | --- | --- | --- | --- | | | List of figures | | | xiv | | | List of tables | | | xv | | | List of algorithms | | | xvi | | | Preface | | | xvii | | 1 | | Randomized algorithms | | 1 | | | 1.1 | A trivial example | | 2 | | | 1.2 | Verifying polynomial identities | | 3 | | | 1.3 |…
Aydın Buluç, Tamara G. Kolda, Stefan M. Wild, Mihai Anitescu + 15 more
'Anthony M. DeGennaro' 'John Jakeman' 'Chandrika Kamath' 'Ramakrishnan Kannan' 'Miles E. Lopes' 'Per‐Gunnar Martinsson' 'Kary Myers' 'Jelani Nelson' 'Juan M. Restrepo' 'C. Seshadhri' 'Draguna Vrabie' 'Brendt Wohlberg' 'Stephen J. Wright' 'Chao Yang' 'Peter H. Zwart'] ARCS ARSC SCAR CRSA CSAR SACR CRAS ASRC RCAS ASRC…
Sander Borst, Daniel Dadush, Sophie Huiberts, Danish Kashaev
Explorable heap selection is the problem of selecting the nth smallest value in a binary heap. The key values can only be accessed by traversing through the underlying infinite binary tree, and the complexity of the algorithm is measured by the total distance traveled in the tree (each edge has unit cost). This problem…
Matthias Volk, Borzoo Bonakdarpour, Joost-Pieter Katoen, Saba Aflaki
Randomization is a key concept in distributed computing to tackle impossibility results. This also holds for self-stabilization in anonymous networks where coin flips are often used to break symmetry. Although the use of randomization in self-stabilizing algorithms is rather common, it is unclear what the optimal coin…
Mahmood Saghaei
Background Typically, randomization software should allow users to exert control over the different aspects of randomization including block design, provision of unique identifiers and control over the format and type of program output. While some of these characteristics have been addressed by available software, none…
Miaoshan Lu, Hengxuan Jiang, Ruimin Wang, Shaowei An + 2 more
Plate Design is a necessary and time-consuming operation for GC/LC-MS based sample preparation. The implementation of the inter-batch balancing algorithm and the intra-batch randomization algorithm can have a significant impact on the final analysis results. For researchers without programming skills, a stable and…
Grant Ongo, Sébastien G. Ricoult, Timothy E. Kennedy, David Juncker
Cell navigation is directed by inhomogeneous distributions of extracellular cues. It is well known that noise plays a key role in biology and is present in naturally occurring gradients at the micro- and nanoscale, yet it has not been studied with gradients in vitro. Here, we introduce novel algorithms to produce…
Daniel Lemire
In simulations, probabilistic algorithms and statistical tests, we often generate random integers in an interval (e.g., [0,s)). For example, random integers in an interval are essential to the Fisher-Yates random shuffle. Consequently, popular languages like Java, Python, C++, Swift and Go include ranged random integer…
Nevin Brackett‐Rozinsky, Daniel Lemire
Pseudorandom values are often generated as 64-bit binary words. These random words need to be converted into ranged values without statistical bias. We present an efficient algorithm to generate multiple independent uniformlyrandom bounded integers from a single uniformly-random binary word, without any bias. In the…
Allan Borodin, Christodoulos Karavasilis, David Zhang
Interest in the random order model (ROM) leads us to initiate a study of utilizing random-order arrivals to extract random bits with the goal of de-randomizing algorithms. Besides producing simple algorithms, simulating random bits through random arrivals enhances our understanding of the comparative strength of…
Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum + 4 more
Recurrent Neural Networks (RNNs) trained with a set of molecules represented as unique (canonical) SMILES strings, have shown the capacity to create large chemical spaces of valid and meaningful structures. Herein we perform an extensive benchmark on models trained with subsets of GDB-13 of different sizes (1 million …
Dogan Corus, Duc-Cuong Dang, Anton V. Eremeev, Per Kristian Lehre
Understanding how the time-complexity of evolutionary algorithms (EAs) depend on their parameter settings and characteristics of fitness landscapes is a fundamental problem in evolutionary computation. Most rigorous results were derived using a handful of key analytic techniques, including drift analysis. However…
Oleksandr Sverdlov, Yevgen Ryeznik, Volodymyr Anisimov, Olga M. Kuznetsova + 4 more
'Olga M. Kuznetsova' 'Ruth Knight' 'Kerstine Carter' 'Sonja Drescher' 'Wenle Zhao'] Background The design of a multi-center randomized controlled trial (RCT) involves multiple considerations, such as the choice of the sample size, the number of centers and their geographic location, the strategy for recruitment of…
Susanne Albers, Maximilian Janke
Makespan minimization on identical machines is a fundamental problem in online scheduling. The goal is to assign a sequence of jobs to m identical parallel machines so as to minimize the maximum completion time of any job. Already in the 1960s, Graham showed that Greedy is $2-1/m$-competitive. The best deterministic…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Authors not listed
Metastable states and the conformational transitions in between them are key to understanding dynamical behaviour and function of large-scale molecular systems. By combining basic dimensionality reduction techniques with a state-of-the art approximation of the Koopman operator associated to molecular dynamics…
Authors not listed
Optimizing the synthesis conditions of advanced materials is challenging, especially when outcomes are subject to inherent experimental uncertainties. Bayesian optimization is a popular tool for accelerating materials discovery, but its standard risk-neutral framework overlooks the variability of outcomes under…
Authors not listed
For applications in gas sensing, purification, and capture, we often wish to search a large set of metal-organic frameworks (MOFs) for the top-K in terms of their Henry coefficient of an adsorbate. A molecular simulation to predict the Henry coefficient of a MOF constitutes a Monte Carlo integration where each sample…
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…
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…
Daniel Gaissmaier, Matthias van den Borg, Donato Fantauzzi, Timo Jacob
In this work, we demonstrate the superior exploration capabilities of the population-based methods over the sequential one-parameter parabolic interpolation (SOPPI) approach to optimise ReaxFF force field parameters. Evolutionary algorithms (EAs) are heuristic-based approaches using a population of concurrent models in…
Kagari Yamada, Kazushi Tsutsui, Kazutoshi Kudo
Human intuition about randomness is systematically biased. When asked to generate random sequences, people systematically generate too many alternations. At the same time, game-theoretic analyses of competitive interactions prescribe truly random mixed strategies as the unique way to remain unpredictable to an…