Related papers: Probing potential energy surface exploration strat…
The rising energy demands of machine learning (ML), e.g., implemented in popular variants like retrieval-augmented generation (RAG) systems, have raised significant concerns about their environmental sustainability. While previous research…
We apply the Tensor-Backflow method to investigate the Fermi-Hubbard model on two-dimensional lattices up to 256 sites, exploring various interaction strengths $U$, electron fillings $n$, next-nearest-neighbor hopping $t'$, and boundary…
A numerical scheme is proposed to identify low energy configurations of a F\"oppl-von K\'arm\'an model for bilayer plates. The dependency of the corresponding elastic energy on the in-plane displacement $u$ and the out-of-plane deflection…
We consider the problem of intelligent and efficient resource management framework in mobile edge computing (MEC), which can reduce delay and energy consumption, featuring distributed optimization and efficient congestion avoidance…
The Bousso-Polchinski (BP) Landscape is a proposal for solving the Cosmological Constant Problem. The solution requires counting the states in a very thin shell in flux space. We find an exact formula for this counting problem which has two…
Quenching a quantum system involves three basic ingredients: the initial phase, the post-quench target phase, and the non-equilibrium dynamics which carries the information of the former two. Here we propose a dynamical theory to…
We propose a theoretical/computational protocol based on the use of the Ground State (GS) Path Integral (PI) Quantum Monte Carlo (QMC) for the calculation of the kinetic and Coulomb energy density for a system of $N$ interacting electrons…
A full strength Coulomb interaction between trapped electrons can be felt only in absence of a neutralizing background. In order to study quantum degenerate electrons without such a background, an external trap is needed to compensate for…
A variety of methods are developed for characterising the free energy landscapes of continuum, Landau-type free energy models. Using morphologies of lipid vesicles and a multistable liquid crystal device as examples, I show that the methods…
Reinforcement learning (RL) has achieved promising results on most robotic control tasks. Safety of learning-based controllers is an essential notion of ensuring the effectiveness of the controllers. Current methods adopt whole consistency…
We initiate the systematic study of the energy complexity of algorithms (in addition to time and space complexity) based on Landauer's Principle in physics, which gives a lower bound on the amount of energy a system must dissipate if it…
Precipitates in Nickel-based superalloys form during heat treatment on a time scale inaccessible to direct molecular dynamics simulation, but could be studied using kinetic Monte Carlo (KMC). This requires reliable values for the barrier…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
We discuss how searching for finite amplitude disturbances of a given energy which maximise their subsequent energy growth after a certain later time $T$ can be used to probe phase space around a reference state and ultimately to find other…
This paper presents a provably optimal, real-time capable energy management policy for race cars that provides simple human-driver-implementable control cues. Specifically, we first formulate the energy-constrained minimum-lap-time control…
A novel robust mechanism for the generation of "trapping states" is shown to exist in the coupling of a two-level system with an oscillator, which is based on nonlinearities in the laser-induced vibronic coupling. This mechanism is…
We present the Multi-Particle-Collision (MPC) dynamics approach to simulate properties of low-dimensional systems. In particular, we illustrate the method for a simple model: a one-dimensional gas of point particles interacting through…
We develop an energy-decreasing algorithm for the finite element approximation of two-dimensional ferronematic equilibrium states. The problem is formulated as the minimization of the harmonic energy of two two-dimensional vector fields,…
Molecular relaxation, finding the equilibrium state of a non-equilibrium structure, is an essential component of computational chemistry to understand reactivity. Classical force field (FF) methods often rely on insufficient local energy…
The long-held assumption that backpropagation (BP) is essential for state-of-the-art performance is challenged by this work. We present rigorous, hardware-validated evidence that the Mono-Forward (MF) algorithm, a backpropagation-free…