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Accurate, global Potential Energy Surfaces (PES) expressed in sum-of-products (SOP) form are a prerequisite for efficient high-dimensional quantum dynamics simulations using the MCTDH method. This work introduces a methodology for…

化学物理 · 物理学 2026-03-31 Antoine Aerts

This study develops a data-driven group variable selection method for data envelopment analysis (DEA), a non-parametric linear programming approach to the estimation of production frontiers. The proposed method extends the group Lasso…

最优化与控制 · 数学 2014-02-18 Zhiwei Qin , Irene Song

Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe…

机器学习 · 计算机科学 2026-02-04 Jinyan Ye , Zhongjie Duan , Zhiwen Li , Cen Chen , Daoyuan Chen , Yaliang Li , Yingda Chen

Dimensionality reduction on Riemannian manifolds is challenging due to the complex nonlinear data structures. While probabilistic principal geodesic analysis~(PPGA) has been proposed to generalize conventional principal component analysis…

机器学习 · 计算机科学 2019-09-06 Youshan Zhang , Jiarui Xing , Miaomiao Zhang

We update the capabilities of the open-knowledge software instrument Modules for Experiments in Stellar Astrophysics (MESA). The new auto_diff module implements automatic differentiation in MESA, an enabling capability that alleviates the…

Graph spectral techniques for measuring graph similarity, or for learning the cluster number, require kernel smoothing. The choice of kernel function and bandwidth are typically chosen in an ad-hoc manner and heavily affect the resulting…

机器学习 · 统计学 2019-12-20 Diego Granziol , Robin Ru , Stefan Zohren , Xiaowen Dong , Michael Osborne , Stephen Roberts

QCD sum rules are analyzed with the help of the Maximum Entropy Method. We develop a new technique based on the Bayesion inference theory, which allows us to directly obtain the spectral function of a given correlator from the results of…

高能物理 - 唯象学 · 物理学 2015-03-17 Philipp Gubler , Makoto Oka

We establish the theoretical framework for implementing the maximumn entropy on the mean (MEM) method for linear inverse problems in the setting of approximate (data-driven) priors. We prove a.s. convergence for empirical means and further…

机器学习 · 统计学 2024-12-25 Matthew King-Roskamp , Rustum Choksi , Tim Hoheisel

Using a graph-based approach, we propose a multiscale permutation entropy to explore the complexity of multivariate time series over multiple time scales. This multivariate multiscale permutation entropy (MPEG) incorporates the interaction…

数据分析、统计与概率 · 物理学 2022-10-18 John Stewart Fabila-Carrasco , Chao Tan , Javier Escudero

An efficient beamforming design is proposed for continuous aperture array (CAPA)-based point-to-point multiple-input multiple-output (MIMO) systems. In contrast to conventional spatially discrete array (SPDA)-MIMO systems, whose optimal…

信息论 · 计算机科学 2025-07-21 Zhaolin Wang , Chongjun Ouyang , Yuanwei Liu

The Stochastic Extragradient (SEG) method is one of the most popular algorithms for solving min-max optimization and variational inequalities problems (VIP) appearing in various machine learning tasks. However, several important questions…

最优化与控制 · 数学 2022-02-23 Eduard Gorbunov , Hugo Berard , Gauthier Gidel , Nicolas Loizou

The standard noise model in gravitational wave (GW) data analysis assumes detector noise is stationary and Gaussian distributed, with a known power spectral density (PSD) that is usually estimated using clean off-source data. Real GW data…

广义相对论与量子宇宙学 · 物理学 2015-09-16 Matthew C. Edwards , Renate Meyer , Nelson Christensen

We present a framework for robust electric network frequency (ENF) extraction from real-world audio recordings, featuring multi-tone ENF harmonic enhancement and graph-based optimal harmonic selection. Specifically, We first extend the…

声音 · 计算机科学 2021-08-03 Guang Hua , Han Liao , Haijian Zhang , Dengpan Ye , Jiayi Ma

Max-value entropy search (MES) is one of the state-of-the-art approaches in Bayesian optimization (BO). In this paper, we propose a novel variant of MES for constrained problems, called Constrained MES via Information lower BOund…

机器学习 · 计算机科学 2023-02-21 Shion Takeno , Tomoyuki Tamura , Kazuki Shitara , Masayuki Karasuyama

By suitable reformulations, we review the mathematical frameworks of six different approaches to the description of non-equilibrium dynamics with the purpose to set up a unified formulation of the Maximum Entropy Production (MEP) principle…

统计力学 · 物理学 2013-06-27 Gian Paolo Beretta

Maximum a posteriori (MAP) inference is a fundamental computational paradigm for statistical inference. In the setting of graphical models, MAP inference entails solving a combinatorial optimization problem to find the most likely…

机器学习 · 计算机科学 2020-03-03 Jonathan N. Lee , Aldo Pacchiano , Michael I. Jordan

Weight averaging of Stochastic Gradient Descent (SGD) iterates is a popular method for training deep learning models. While it is often used as part of complex training pipelines to improve generalization or serve as a `teacher' model,…

机器学习 · 计算机科学 2024-12-02 Daniel Morales-Brotons , Thijs Vogels , Hadrien Hendrikx

We analyze a practical algorithm for sparse PCA on incomplete and noisy data under a general non-random sampling scheme. The algorithm is based on a semidefinite relaxation of the $\ell_1$-regularized PCA problem. We provide theoretical…

机器学习 · 统计学 2023-02-06 Hanbyul Lee , Qifan Song , Jean Honorio

Pulsar timing arrays (PTAs) have made tremendous progress and are now showing strong evidence for the gravitational-wave background (GWB). Further probing the origin and characteristics of the GWB will require more generalized analysis…

天体物理仪器与方法 · 物理学 2025-02-06 Kyle A. Gersbach , Stephen R. Taylor , Patrick M. Meyers , Joseph D. Romano

Penetration depth (PD) is essential for robotics due to its extensive applications in dynamic simulation, motion planning, haptic rendering, etc. The Expanding Polytope Algorithm (EPA) is the de facto standard for this problem, which…

机器人学 · 计算机科学 2024-09-06 Wei Gao