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In material science, models are derived to predict emergent material properties (e.g. elasticity, strength, conductivity) and their relations to processing conditions. A major drawback is the calibration of model parameters that depend on…

Neural and Evolutionary Computing · Computer Science 2021-11-22 Gabriel Kronberger , Evgeniya Kabliman , Johannes Kronsteiner , Michael Kommenda

Evolutionary algorithms are a type of artificial intelligence that utilize principles of evolution to efficiently determine solutions to defined problems. These algorithms are particularly powerful at finding solutions that are too complex…

Finding the best configuration of algorithms' hyperparameters for a given optimization problem is an important task in evolutionary computation. We compare in this work the results of four different hyperparameter tuning approaches for a…

Neural and Evolutionary Computing · Computer Science 2022-03-18 Furong Ye , Carola Doerr , Hao Wang , Thomas Bäck

Proton therapy is a modality in fast development. Characterized by a maximum dose deposition at the end of the proton trajectory followed by a sharp fall-off, proton beams can deliver a highly conformal dose to the tumor while sparing…

Medical Physics · Physics 2022-05-18 François Smekens , Nicolas Freud , Bruno Sixou , Guillaume Beslon , Jean M Létang

This work discusses single-objective constrained genetic algorithm with floating-point, integer, binary and permutation representation. Floating-point genetic algorithm tuning with use of test functions is done and leads to a…

Neural and Evolutionary Computing · Computer Science 2022-10-10 Tomasz Tarkowski

In real-time trajectory planning for unmanned vehicles, on-board sensors, radars and other instruments are used to collect information on possible obstacles to be avoided and pathways to be followed. Since, in practice, observations of the…

Methodology · Statistics 2013-09-25 Adriano Zanin Zambom , Julian A. A. Collazos , Ronaldo Dias

We describe a modification of the inverted perturbation approach method allowing to construct physically sensible potential energy curves for electronic states of diatomic molecules even when some parts of the potential are not adequately…

Atomic Physics · Physics 2009-11-10 A. Grochola , P. Kowalczyk , W. Jastrzebski , A. Pashov

A linear regression-based machine learned interatomic potential (MLIP) was developed for the silicon-carbon system. The MLIP was predominantly trained on structures discovered through a genetic algorithm, encompassing the entire…

Mesoscale and Nanoscale Physics · Physics 2024-03-26 Michael MacIsaac , Salil Bavdekar , Douglas Spearot , Ghatu Subhash

We introduce a new class of machine learning interatomic potentials - fast General Two- and Three-body Potential (GTTP), which is as fast as conventional empirical potentials and require computational time that remains constant with…

Computational Physics · Physics 2023-01-03 Sergey Pozdnyakov , Artem R. Oganov , Efim Mazhnik , Arslan Mazitov , Ivan Kruglov

Statistical power is a measure of the replicability of a categorical hypothesis test. Formally, it is the probability of detecting an effect, if there is a true effect present in the population. Hence, optimizing statistical power as a…

Computation · Statistics 2023-02-21 Abhishek K. Umrawal , Sean P. Lane , Erin P. Hennes

In this paper, we apply genetic algorithms to the field of electoral studies. Forecasting election results is one of the most exciting and demanding tasks in the area of market research, especially due to the fact that decisions have to be…

Neural and Evolutionary Computing · Computer Science 2014-01-21 Ronald Hochreiter , Christoph Waldhauser

The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on…

Quantum Physics · Physics 2022-03-25 Ada Warren , Linghua Zhu , Nicholas J. Mayhall , Edwin Barnes , Sophia E. Economou

When an external field is applied across a liquid-crystal cell, the twist and tilt distributions cannot be calculated analytically and must be extracted numerically. In the standard approach, the Euler-Lagrange equations are derived from…

Computational Physics · Physics 2025-11-18 Alicia Sit , Francesco Di Colandrea , Alessio D'Errico , Ebrahim Karimi

Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

This paper proposes Genetic Algorithm with Border Trades (GAB), a novel modification of the standard genetic algorithm that enhances exploration by incorporating new chromosome patterns in the breeding process. This approach significantly…

Machine Learning · Computer Science 2025-06-27 Qingchuan Lyu

We introduce genetic algorithms as a means to analyze supernovae type Ia data and extract model-independent constraints on the evolution of the Dark Energy equation of state. Specifically, we will give a brief introduction to the genetic…

Cosmology and Nongalactic Astrophysics · Physics 2010-01-15 C. Bogdanos , Savvas Nesseris

Genetic algorithms, as implemented in optimal control strategies, are currently successfully exploited in a wide range of problems in molecular physics. In this context, laser control of molecular alignment and orientation remains a very…

Chemical Physics · Physics 2007-05-23 O. Atabek , C. M. Dion

Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models…

A multi-objective genetic algorithm is developed for optimizing nonlinearities in diffraction limited storage rings. This algorithm determines sextupole and octupole strengths for chromaticity correction that deliver optimized dynamic…

Accelerator Physics · Physics 2016-04-27 M. P. Ehrlichman

Cold atoms in optical lattices are a versatile and highly controllable platform for quantum simulation, capable of realizing a broad family of Hubbard models, and allowing site-resolved readout via quantum gas microscopes. In principle,…

Quantum Gases · Physics 2025-10-28 Bhavik Kumar , Daniel Malz