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We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of…

Quantum Physics · Physics 2024-02-20 Davide Castaldo , Marta Rosa , Stefano Corni

Neutronic calculations for reactors are a daunting task when using Monte Carlo (MC) methods. As high-performance computing has advanced, the simulation of a reactor is nowadays more readily done, but design and optimization with multiple…

Neural and Evolutionary Computing · Computer Science 2024-03-22 Deborah Schwarcz , Nadav Schneider , Gal Oren , Uri Steinitz

For many applications of pulsed radiation, the time-history of the radiation intensity must be optimized to induce a desired time-history of conditions. This optimization is normally performed using multi-physics simulations of the system.…

Computational Physics · Physics 2019-03-14 Damian C. Swift , George B. Zimmerman

Bayesian optimization has shown to be a fundamental global optimization algorithm in many applications: ranging from automatic machine learning, robotics, reinforcement learning, experimental design, simulations, etc. The most popular and…

Machine Learning · Computer Science 2015-06-09 Ruben Martinez-Cantin

A robust control over quantum dynamics is of paramount importance for quantum technologies. Many of the existing control techniques are based on smooth Hamiltonian modulations involving repeated calculations of basic unitaries resulting in…

Quantum Physics · Physics 2016-05-04 Gaurav Bhole , Anjusha V. S. , T. S. Mahesh

Achieving global optimality in nonlinear model predictive control (NMPC) is challenging due to the non-convex nature of the underlying optimization problem. Since commonly employed local optimization techniques depend on carefully chosen…

Systems and Control · Electrical Eng. & Systems 2025-06-19 Tzu-Yuan Huang , Armin Lederer , Nicolas Hoischen , Jan Brüdigam , Xuehua Xiao , Stefan Sosnowski , Sandra Hirche

We present a framework for the efficient computation of optimal Bayesian decisions under intractable likelihoods, by learning a surrogate model for the expected utility (or its distribution) as a function of the action and data spaces. We…

Machine Learning · Statistics 2023-11-13 Justin Alsing , Thomas D. P. Edwards , Benjamin Wandelt

A common way to manipulate a quantum system, for example spins or artificial atoms, is to use properly tailored control pulses. In order to accomplish quantum information tasks before coherence is lost, it is crucial to implement the…

The increase in complexity of autonomous systems is accompanied by a need of data-driven development and validation strategies. Advances in computer graphics and cloud clusters have opened the way to massive parallel high fidelity…

Machine Learning · Computer Science 2023-01-05 Osama Maqbool , Jürgen Roßmann

This paper develops a mathematical and computational framework for analyzing the expected performance of Bayesian data fusion, or joint statistical inference, within a sensor network. We use variational techniques to obtain the posterior…

Statistics Theory · Mathematics 2016-02-23 Gaurav Thakur

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori

Control algorithms such as model predictive control (MPC) and state estimators rely on a number of different parameters. The performance of the closed loop usually depends on the correct setting of these parameters. Tuning is often done…

Systems and Control · Electrical Eng. & Systems 2020-10-15 David Stenger , Muzaffer Ay , Dirk Abel

Energy efficiency has become an integral aspect of modern computing infrastructure design, impacting the performance, cost, scalability, and durability of production systems. The incorporation of power actuation and sensing capabilities in…

Machine Learning · Computer Science 2026-01-19 Akhilesh Raj , Swann Perarnau , Aniruddha Gokhale , Solomon Bekele Abera

Monte Carlo simulations are widely used in nuclear physics to model experimental systems. In cases where there are significant unknown quantities, such as energies of states, an iterative process of simulating and fitting is often required…

Simulation is used extensively in autonomous systems, particularly in robotic manipulation. By far, the most common approach is to train a controller in simulation, and then use it as an initial starting point for the real system. We…

Machine Learning · Statistics 2021-10-06 Shirli Di Castro Shashua , Dotan Di Castro , Shie Mannor

Nuclear Reaction Analysis with ${}^{3}$He holds the promise to measure Deuterium depth profiles up to large depths. However, the extraction of the depth profile from the measured data is an ill-posed inversion problem. Here we demonstrate…

Accelerator Physics · Physics 2009-11-13 U. von Toussaint , T. Schwarz-Selinger , S. Gori

Real-world robots are becoming increasingly complex and commonly act in poorly understood environments where it is extremely challenging to model or learn their true dynamics. Therefore, it might be desirable to take a task-specific…

Systems and Control · Computer Science 2017-09-25 Somil Bansal , Roberto Calandra , Ted Xiao , Sergey Levine , Claire J. Tomlin

Adapting an agent's behaviour to new environments has been one of the primary focus areas of physics based reinforcement learning. Although recent approaches such as universal policy networks partially address this issue by enabling the…

Machine Learning · Computer Science 2022-02-15 Buddhika Laknath Semage , Thommen George Karimpanal , Santu Rana , Svetha Venkatesh

This work is concerned with solving neural network-based feedback controllers efficiently for optimal control problems. We first conduct a comparative study of two prevalent approaches: offline supervised learning and online direct policy…

Optimization and Control · Mathematics 2024-04-10 Yue Zhao , Jiequn Han

Operation management of nuclear power plants consists of several computationally hard problems. Searching for an in-core fuel loading pattern is among them. The main challenge of this combinatorial optimization problem is the exponential…

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