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Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…

化学物理 · 物理学 2023-08-14 Lionel Lacombe , Neepa T. Maitra

Diffusion models have become a central tool in deep generative modeling, but standard formulations rely on a single network and a single diffusion schedule to transform a simple prior, typically a standard normal distribution, into the…

机器学习 · 统计学 2025-12-29 Takuro Kutsuna

Near equilibrium, where all currents of a system vanish on average, the fluctuation-dissipation relation (FDR) connects a current's spontaneous fluctuations with its response to perturbations of the conjugate thermodynamic force. Out of…

统计力学 · 物理学 2016-11-02 Bernhard Altaner , Matteo Polettini , Massimiliano Esposito

We use a recently proved fluctuation theorem for the currents to develop the response theory of nonequilibrium phenomena. In this framework, expressions for the response coefficients of the currents at arbitrary orders in the thermodynamic…

统计力学 · 物理学 2015-05-13 D. Andrieux , P. Gaspard

The robustness of fault detection algorithms against uncertainty is crucial in the real-world industrial environment. Recently, a new probabilistic design scheme called distributionally robust fault detection (DRFD) has emerged and received…

最优化与控制 · 数学 2026-01-16 Yulin Feng , Hailang Jin , Steven X. Ding , Hao Ye , Chao Shang

The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the…

化学物理 · 物理学 2017-08-02 Daniel Jensen , Adam Wasserman

Modeling non-stationary processes, where statistical properties vary across the input domain, is a critical challenge in machine learning; yet most scalable methods rely on a simplifying assumption of stationarity. This forces a difficult…

机器学习 · 计算机科学 2026-02-03 Sawan Kumar , Souvik Chakraborty

Reservoir computing (RC), a particular form of recurrent neural network, is under explosive development due to its exceptional efficacy and high performance in reconstruction or/and prediction of complex physical systems. However, the…

机器学习 · 计算机科学 2023-05-10 Xing-Yue Duan , Xiong Ying , Si-Yang Leng , Jürgen Kurths , Wei Lin , Huan-Fei Ma

This work studies approximation based on single-hidden-layer feedforward and recurrent neural networks with randomly generated internal weights. These methods, in which only the last layer of weights and a few hyperparameters are optimized,…

概率论 · 数学 2021-02-17 Lukas Gonon , Lyudmila Grigoryeva , Juan-Pablo Ortega

A simple model for calculating the diffraction radiation characteristics from an ultrarelativistic charged particle moving close to a tilted ideally conducting strip is developed. Resonant diffraction radiation (RDR) is treated as a…

加速器物理 · 物理学 2009-10-31 A. P. Potylitsyn , P. V. Karataev , G. A. Naumenko

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

核理论 · 物理学 2015-12-23 N. Schunck , J. D. McDonnell , D. Higdon , J. Sarich , S. M. Wild

Approximation fixpoint theory (AFT) is an abstract and general algebraic framework for studying the semantics of nonmonotonic logics. It provides a unifying study of the semantics of different formalisms for nonmonotonic reasoning, such as…

人工智能 · 计算机科学 2022-12-02 Jesse Heyninck , Ofer Arieli , Bart Bogaerts

This paper presents a new method to determine the susceptances of a reduced transmission network representation by using nonlinear optimization. We use Power Transfer Distribution Factors (PTDFs) to convert the original grid into a reduced…

系统与控制 · 计算机科学 2018-09-05 Philipp Fortenbacher , Turhan Demiray , Christian Schaffner

This paper proposes a new design method for a stochastic control policy using a normalizing flow (NF). In reinforcement learning (RL), the policy is usually modeled as a distribution model with trainable parameters. When this…

机器人学 · 计算机科学 2024-12-18 Taisuke Kobayashi , Takumi Aotani

Kernel methods form a powerful, versatile, and theoretically-grounded unifying framework to solve nonlinear problems in signal processing and machine learning. The standard approach relies on the kernel trick to perform pairwise evaluations…

机器学习 · 计算机科学 2019-12-11 Kan Li , Jose C. Principe

Feature caching approaches accelerate diffusion transformers (DiTs) by storing the output features of computationally expensive modules at certain timesteps, and exploiting them for subsequent steps to reduce redundant computations. Recent…

计算机视觉与模式识别 · 计算机科学 2026-02-24 Byunggwan Son , Jeimin Jeon , Jeongwoo Choi , Bumsub Ham

Man-made communications signals are typically modelled as continuous-time (CT) wide-sense cyclostationary (WSCS) processes. As modern processing is digital, it operates on sampled versions of the CT signals. When sampling is applied to a CT…

信息论 · 计算机科学 2020-04-22 Emeka Abakasanga , Nir Shlezinger , Ron Dabora

In lossy compression, Blau and Michaeli [5] introduced the information rate-distortion-perception (RDP) function, extending traditional rate-distortion theory by incorporating perceptual quality. More recently, this framework was expanded…

信息论 · 计算机科学 2025-04-15 Nam Nguyen , Thinh Nguyen , Bella Bose

In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…

强关联电子 · 物理学 2015-02-26 Stefano Di Sabatino , Jan A. Berger , Lucia Reining , Pina Romaniello

The "water-filling" solution for the quadratic rate-distortion function of a stationary Gaussian source is given in terms of its power spectrum. This formula naturally lends itself to a frequency domain "test-channel" realization. We…

信息论 · 计算机科学 2008-02-18 Ram Zamir , Yuval Kochman , Uri Erez