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The minimum action method (MAM) is to calculate the most probable transition path in randomly perturbed stochastic dynamics, based on the idea of action minimization in the path space. The accuracy of the numerical path between different…

Computational Physics · Physics 2017-05-26 Y Sun , X Zhou

Spectral decomposition of linear operators plays a central role in many areas of machine learning and scientific computing. Recent work has explored training neural networks to approximate eigenfunctions of such operators, enabling scalable…

Machine Learning · Computer Science 2025-10-28 J. Jon Ryu , Samuel Zhou , Gregory W. Wornell

We present a practical approach for interfacing light with a two-dimensional atomic tweezer array. Typical paraxial fields are poorly matched to the array's multi-diffraction-order radiation pattern, thus severely limiting the interface…

Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

Chemical Physics · Physics 2020-02-18 Christoph Brunken , Markus Reiher

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Finding tight bounds on the optimal solution is a critical element of practical solution methods for discrete optimization problems. In the last decade, decision diagrams (DDs) have brought a new perspective on obtaining upper and lower…

Artificial Intelligence · Computer Science 2019-02-28 Quentin Cappart , Emmanuel Goutierre , David Bergman , Louis-Martin Rousseau

In this paper we develop proximal methods for statistical learning. Proximal point algorithms are useful in statistics and machine learning for obtaining optimization solutions for composite functions. Our approach exploits closed-form…

Machine Learning · Statistics 2015-06-02 Nicholas G. Polson , James G. Scott , Brandon T. Willard

We present an efficient approach to precisely simulate tight binding models with optical lattices, based on programmable digital-micromirror-device (DMD) techniques. Our approach consists of a subroutine of Wegner-flow enabled precise…

Quantum Gases · Physics 2020-10-20 Xingze Qiu , Jie Zou , Xiaodong Qi , Xiaopeng Li

Optical tweezer arrays of laser-cooled and individual controlled particles have revolutionized the atomic, molecular and optical physics, and they afford exquisite capabilities for applications in quantum simulation of many-body physics,…

Current optical manipulation techniques rely on carefully engineered setups and samples. Although similar conditions are routinely met in research laboratories, it is still a challenge to manipulate microparticles when the environment is…

Learning to Optimize (L2O) approaches, including algorithm unrolling, plug-and-play methods, and hyperparameter learning, have garnered significant attention and have been successfully applied to the Alternating Direction Method of…

Optimization and Control · Mathematics 2024-09-27 Ling Liang , Cameron Austin , Haizhao Yang

Optical metasurfaces of subwavelength pillars have provided new capabilities for the versatile definition of the amplitude, phase, and polarization of light. In this work, we demonstrate that an efficient dielectric metasurface lens can be…

Designing and optimizing ion optical systems is often a complex and difficult task, which requires the use of computational tools to iterate and converge towards the desired characteristics and performances of the system. Very often these…

Nuclear Experiment · Physics 2015-05-30 Daniel Bazin

We solve the analysis sparse coding problem considering a combination of convex and non-convex sparsity promoting penalties. The multi-penalty formulation results in an iterative algorithm involving proximal-averaging. We then unfold the…

We discuss and compare three algorithms for generating holograms: simple rounding, Floyd-Steinberg error diffusion dithering, and mixed region amplitude freedom (MRAF). The methods are optimised for producing large arrays of tightly focused…

Image and Video Processing · Electrical Eng. & Systems 2017-11-22 Naomi Holland , Dustin Stuart , Oliver Barter , Axel Kuhn

Since their invention in 1986 by Arthur Ashkin and colleagues, optical tweezers have become an essential tool in several fields of physics, spectroscopy, biology, nanotechnology, and thermodynamics. In this Tutorial, we provide a primer on…

Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning…

Systems and Control · Electrical Eng. & Systems 2024-12-25 Ilias Mitrai , Prodromos Daoutidis

In this paper, we investigate the possibility of improving the performance of multi-objective optimization solution approaches using machine learning techniques. Specifically, we focus on multi-objective binary linear programs and employ…

Machine Learning · Statistics 2019-01-31 Alvaro Sierra-Altamiranda , Hadi Charkhgard , Iman Dayarian , Ali Eshragh , Sorna Javadi

Accurate estimation of the positions and shapes of microscale objects is crucial for automated imaging-guided manipulation using a non-contact technique such as optical tweezers. Perception methods that use traditional computer vision…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Ekta U. Samani , Wei Guo , Ashis G. Banerjee
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