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Classical molecular dynamics (MD) simulations enable modeling of materials and examination of microscopic details that are not accessible experimentally. The predictive capability of MD relies on the force field (FF) used to describe…

Accurate force fields are necessary for predictive molecular simulations. However, developing force fields that accurately reproduce experimental properties is challenging. Here, we present a machine learning directed, multiobjective…

The article presents a study of the Particle Swarm optimization method for scheduling problem. To improve the method's performance a restriction of particles' velocity and an evolutionary meta-optimization were realized. The approach…

Neural and Evolutionary Computing · Computer Science 2020-06-22 Pavel Matrenin , Viktor Sekaev

This study optimizes resonance parameters responsible for strangeness production in the SMASH (Simulating Many Accelerated Strongly-interacting Hadrons) transport model using a genetic algorithm. By fitting resonance parameters to…

High Energy Physics - Phenomenology · Physics 2025-03-10 Carl B. Rosenkvist , Hannah Elfner

Machine-learning algorithms have shown outstanding image recognition or classification performance for computer vision applications. However, the compute and energy requirement for implementing such classifier models for large-scale…

Computer Vision and Pattern Recognition · Computer Science 2017-03-09 Priyadarshini Panda , Aayush Ankit , Parami Wijesinghe , Kaushik Roy

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional…

Machine Learning · Computer Science 2020-01-01 Elman Mansimov , Omar Mahmood , Seokho Kang , Kyunghyun Cho

Current acceleration of the cosmic expansion leads to coincidence as well as fine-tuning issues in the framework of general relativity. Dynamical scalar fields have been introduced in response of these problems, some of them invoking…

Cosmology and Nongalactic Astrophysics · Physics 2015-12-25 Sandrine Schlogel , Sebastien Clesse , Andre Fuzfa

Femtolensing is a gravitational lensing effect in which the magnification is a function not only of the positions and sizes of the source and lens, but also of the wavelength of light. Femtolensing is the only known effect of…

Astrophysics · Physics 2009-10-22 A. Ulmer , J. Goodman

It is at times important to detect human presence automatically in secure environments. This needs a shape recognition algorithm that is robust, fast and has low error rates. The algorithm needs to process camera images quickly to detect…

Computer Vision and Pattern Recognition · Computer Science 2015-06-30 Dhriti Sengupta , Merina Kundu , Jayati Ghosh Dastidar

This paper presents a method for identifying mechanical parameters of robots or objects, such as their mass and friction coefficients. Key features are the use of off-the-shelf physics engines and the adaptation of a Bayesian optimization…

Robotics · Computer Science 2018-06-14 Shaojun Zhu , Andrew Kimmel , Kostas E. Bekris , Abdeslam Boularias

A genetic algorithm is suitable for exploring large search spaces as it finds an approximate solution. Because of this advantage, genetic algorithm is effective in exploring vast and unknown space such as molecular search space. Though the…

Neural and Evolutionary Computing · Computer Science 2021-12-24 Yurim Lee , Gydam Choi , Minsung Yoon , Cheongwon Kim

We describe in detail the general methodology and numerical implementation of consistent N-body simulations for coupled scalar field cosmological models, including the background cosmology and the generation of initial conditions (with the…

Cosmology and Nongalactic Astrophysics · Physics 2012-07-04 Baojiu Li , John D. Barrow

The Vainshtein mechanism is known as an efficient way of screening the fifth force around a matter source in modified gravity. This has been verified mainly in highly symmetric matter configurations. To study how the Vainshtein mechanism…

General Relativity and Quantum Cosmology · Physics 2019-02-20 Hiromu Ogawa , Takashi Hiramatsu , Tsutomu Kobayashi

Simulation is a useful tool in situations where training data for machine learning models is costly to annotate or even hard to acquire. In this work, we propose a reinforcement learning-based method for automatically adjusting the…

Machine Learning · Computer Science 2019-05-15 Nataniel Ruiz , Samuel Schulter , Manmohan Chandraker

Spin-dependent fifth-forces are associated with particles beyond the standard model. In particular, light pseudo-scalar bosons mediate long-range forces, allowing mass to interact with spins. The search of these interactions can be…

High Energy Physics - Experiment · Physics 2022-03-07 N. Crescini , G. Carugno , P. Falferi , A. Ortolan , G. Ruoso , C. C. Speake

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

We investigate the environment dependence of dark matter halos in the symmetron modified gravity scenario. The symmetron is one of three known mechanisms for screening a fifth-force and thereby recovering General Relativity in dense…

Cosmology and Nongalactic Astrophysics · Physics 2013-05-30 Hans A. Winther , David F. Mota , Baojiu Li

In certain theories of modified gravity, solar system constraints on deviations from general relativity (GR) are satisfied by virtue of a so-called screening mechanism, which enables the theory to revert to GR in regions where the matter…

Cosmology and Nongalactic Astrophysics · Physics 2017-05-01 Difu Shi , Baojiu Li , Jiaxin Han

I present a new algorithm, CALCLENS, for efficiently computing weak gravitational lensing shear signals from large N-body light cone simulations over a curved sky. This new algorithm properly accounts for the sky curvature and boundary…

Cosmology and Nongalactic Astrophysics · Physics 2012-10-15 Matthew R. Becker

Models of modified gravity, whereby local tests of gravity are evaded thanks to a screening mechanism of the chameleon or Damour-Polyakov types, lead to a spatial variation of the particle masses and the fine structure constant. This is…

Cosmology and Nongalactic Astrophysics · Physics 2014-07-09 Philippe Brax