Search · four archives
Search · four archives
12 papers · ranked by Valyu relevance
Vahid Beiranvand, Warren Hare, Yves Lucet
Comparing, or benchmarking, of optimization algorithms is a complicated task that involves many subtle considerations to yield a fair and unbiased evaluation. In this paper, we systematically review the benchmarking process of optimization algorithms, and discuss the challenges of fair comparison. We provide…
Thomas Bartz–Beielstein, Carola Doerr, Jakob Bossek, Sowmya Chandrasekaran + 11 more
'Sowmya Chandrasekaran' 'Tome Eftimov' 'Andreas Fischbach' 'Pascal Kerschke' 'Manuel López‐Ibáñez' 'Katherine M. Malan' 'Jason H. Moore' 'Boris Naujoks' 'Patryk Orzechowski' 'Vanessa Volz' 'Markus Wagner' 'Thomas Weise'] Thomas Bartz-Beielstein1 , Carola Doerr2 , Daan van den Berg3 , Jakob Bossek6 , Sowmya…
Dilip Rijal, Vladislav Vasilyev, Feng Wang
Sustainable aviation fuels (SAFs) are crucial for addressing carbon emissions in the aviation industry. With a focus on SAFs, the research aims to establish a quantitative structure-property relationship for polycyclic hydrocarbons (PCHCs) and their net heat of combustion (NHOC) using the innovative approach of machine…
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.…
Aravind Sankaran, Paolo Bientinesi
—In scientific computing, it is common that a mathematical expression can be computed by many different algorithms (sometimes over hundreds), each identifying a specific sequence of library calls. Although mathematically equivalent, those algorithms might exhibit significant differences in terms of performance. However…
Etor Arza, Josu Ceberio, Ekhiñe Irurozki, Aritz Pérez
An experimental comparison of two or more optimization algorithms requires the same computational resources to be assigned to each algorithm. When a maximum runtime is set as the stopping criterion, all algorithms need to be executed in the same machine if they are to use the same resources. Unfortunately, the…
Aravind Sankaran, Paolo Bientinesi
—Linear algebra expressions, which play a central role in countless scientific computations, are often computed via a sequence of calls to existing libraries of building blocks (such as those provided by BLAS and LAPACK). A sequence identifies a computing strategy, i.e., an algorithm, and normally for one linear…
Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna + 15 more
Rapid generation and evaluation of diverse synthesis pathways play a critical role in exploring a broader chemical space and identifying potent drug candidates. Drug discovery often relies on laborintensive manual processes for retro synthetic route finding, resulting in challenges related to scalability and…
Authors not listed
Computer-Assisted Synthesis Programs are increasingly employed by organic chemists. Often, these tools combine neural networks for policy prediction with heuristic search algorithms. We propose two novel enhancements, which we call eUCT and dUCT, to the Monte Carlo tree search (MCTS) algorithm. The enhancements were…
Donald S. Ene, V.I.E Anireh
- Evaluating how well a whole system or set of subsystems performs is one of the primary objectives of performance testing. We can tell via performance assessment if the architecture implementation meets the design objectives. Performance evaluations of several parallel algorithms are compared in this study. Both…
Authors not listed
The ongoing threat of global warming necessitates a shift towards clean energy sources to meet rising demands while reducing carbon emissions. Polymer electrolyte fuel cells (PEFCs) represent a promising technology for both mobile and stationary applications but their poor operational lifetimes and frequent faults are…
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…