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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…

Chemical Physics · Physics 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…

Optimization and Control · Mathematics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

High Energy Physics - Phenomenology · Physics 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…

Machine Learning · Statistics 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…

Data Analysis, Statistics and Probability · Physics 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…

Information Theory · Computer Science 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…

Optimization and Control · Mathematics 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…

General Relativity and Quantum Cosmology · Physics 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…

Sound · Computer Science 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…

Machine Learning · Computer Science 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…

Statistical Mechanics · Physics 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…

Machine Learning · Computer Science 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,…

Machine Learning · Computer Science 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…

Machine Learning · Statistics 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…

Instrumentation and Methods for Astrophysics · Physics 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…

Robotics · Computer Science 2024-09-06 Wei Gao