12 papers · ranked by Valyu relevance
Mohd Nadhir Ab Wahab, Samia Nefti-Meziani, Adham Atyabi, Catalin Buiu
'Catalin Buiu'] Many swarm optimization algorithms have been introduced since the early 60’s, Evolutionary Programming to the most recent, Grey Wolf Optimization. All of these algorithms have demonstrated their potential to solve many optimization problems. This paper provides an in-depth survey of well-known…
Nazmul Siddique, Hojjat Adeli
This paper presents an overview of significant advances made in the emerging field of nature-inspired computing (NIC) with a focus on the physics- and biology-based approaches and algorithms. A parallel development in the past two decades has been the emergence of the field of computational intelligence (CI) consisting…
Licheng Jiao, Jiaxuan Zhao, Chao Wang, Xu Liu + 6 more
'Lingling Li' 'Ronghua Shang' 'Yangyang Li' 'Wenping Ma' 'Shuyuan Yang'] Nature, with its numerous surprising rules, serves as a rich source of creativity for the development of artificial intelligence, inspiring researchers to create several nature-inspired intelligent computing paradigms based on natural mechanisms.…
Steve O'Hagan, Joshua Knowles, Douglas B. Kell, Josh Bongard
Comparatively few studies have addressed directly the question of quantifying the benefits to be had from using molecular genetic markers in experimental breeding programmes (e.g. for improved crops and livestock), nor the question of which organisms should be mated with each other to best effect. We argue that this…
Ali Fozooni, Osman Kamari, Mostafa Pourtalebiyan, Masoud Gorgich + 2 more
'Mohammad Khalilzadeh' 'Amin Valizadeh'] In this study, we evaluate several nongradient (evolutionary) search strategies for minimizing mathematical function expressions. We developed and tested the genetic algorithms, particle swarm optimization, and differential evolution in order to assess their general efficacy in…
Olga Speck, Thomas Speck, Sabine Baur, Michael Herdy + 3 more
'Laith Abualigah' 'Xuewen Xia'] With a focus on education and teaching, we provide general background information on bioinspired optimization methods by comparing the concept of optimization and the search for an optimum in engineering and biology. We introduce both the principles of Darwinian evolution and the basic…
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…
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…
Sizhe Yuen, Thomas H. G. Ezard, Adam J. Sobey
Evolutionary computation is a group of biologically inspired algorithms used to solve complex optimization problems. It can be split into evolutionary algorithms, which take inspiration from genetic inheritance, and swarm intelligence algorithms, that take inspiration from cultural inheritance. However, much of the…
Authors not listed
Organic molecular crystals offer a broad spectrum of potential applications. The vast number of possible molecules is both an opportunity and a challenge, because of the prohibitive expense of exhaustively searching chemical space to find novel molecules with promising solid-state properties. Computational methods can…
Authors not listed
Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a…
Andre KY Low, Flore Mekki-Berrada, Aleksandr Ostudin, Jiaxun Xie + 7 more
The development of automated high-throughput experimental platforms has enabled fast sampling of high-dimensional decision spaces. To reach target properties efficiently, these platforms are increasingly paired with intelligent experimental design. When solving optimization problems, Bayesian-based optimizers are often…