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Efficient computational methods that are capable of supporting experimental measures obtained at constant values of pH and redox potential are important tools as they serve to, among other things, provide additional atomic level information…

Chemical Physics · Physics 2018-09-21 Vinícius Wilian D. Cruzeiro , Adrian E. Roitberg

We present a readily computable semi-analytic Layer Response Theory (LRT) for analysis of cohesive energetics involving two-dimensional layers such as BN or graphene. The theory approximates the Random Phase Approximation (RPA) correlation…

Materials Science · Physics 2016-05-04 John F. Dobson , Tim Gould , Sebastien Lebegue

The proximal point algorithm (PPA) has been developed to solve the monotone variational inequality problem. It provides a theoretical foundation for some methods, such as the augmented Lagrangian method (ALM) and the alternating direction…

Optimization and Control · Mathematics 2023-08-16 Jingyu Gao , Xiurui Geng

A fundamental challenge to sensory processing tasks in perception and robotics is the problem of obtaining data associations across views. We present a robust solution for ascertaining potentially dense surface patch (superpixel)…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Rahul Sawhney , Fuxin Li , Henrik I. Christensen

We study robust PCA for the fully observed setting, which is about separating a low rank matrix $\boldsymbol{L}$ and a sparse matrix $\boldsymbol{S}$ from their sum $\boldsymbol{D}=\boldsymbol{L}+\boldsymbol{S}$. In this paper, a new…

Information Theory · Computer Science 2021-06-29 HanQin Cai , Jian-Feng Cai , Ke Wei

Computationally expensive Radiative Transfer Models (RTMs) are widely used} to realistically reproduce the light interaction with the Earth surface and atmosphere. Because these models take long processing time, the common practice is to…

The efficiency of path sampling simulations can be improved considerably using the approach of path swapping. For this purpose, we have devised a new algorithmic procedure based on the transition interface sampling technique. In the same…

Statistical Mechanics · Physics 2009-11-13 Titus S. van Erp

In several recently proposed stochastic optimization methods (e.g. RMSProp, Adam, Adadelta), parameter updates are scaled by the inverse square roots of exponential moving averages of squared past gradients. Maintaining these per-parameter…

Machine Learning · Computer Science 2018-04-13 Noam Shazeer , Mitchell Stern

Consider a metric space $(P,dist)$ with $N$ points whose doubling dimension is a constant. We present a simple, randomized, and recursive algorithm that computes, in $O(N \log N)$ expected time, the closest-pair distance in $P$. To generate…

Computational Geometry · Computer Science 2021-02-03 Anil Maheshwari , Wolfgang Mulzer , Michiel Smid

In this paper, we revisit the classic approximate All-Pairs Shortest Paths (APSP) problem in undirected graphs. For unweighted graphs, we provide an algorithm for $2$-approximate APSP in $\tilde O(n^{2.5-r}+n^{\omega(r)})$ time, for any…

Data Structures and Algorithms · Computer Science 2023-10-31 Michal Dory , Sebastian Forster , Yael Kirkpatrick , Yasamin Nazari , Virginia Vassilevska Williams , Tijn de Vos

Random features (RFs) are a popular technique to scale up kernel methods in machine learning, replacing exact kernel evaluations with stochastic Monte Carlo estimates. They underpin models as diverse as efficient transformers (by…

Machine Learning · Statistics 2024-10-04 Isaac Reid , Stratis Markou , Krzysztof Choromanski , Richard E. Turner , Adrian Weller

Exact results of pair transfer probabilities for the Richardson model with equidistant or random level spacing are presented. The results are then compared either to particle-particle random phase approximation (ppRPA) in the normal phase…

Nuclear Theory · Physics 2015-06-11 Danilo Gambacurta , Denis Lacroix

In this paper, we focus on the relaxed proximal point algorithm (RPPA) for solving convex (possibly nonsmooth) optimization problems. We conduct a comprehensive study on three types of relaxation schedules: (i) constant schedule with…

Optimization and Control · Mathematics 2024-10-14 Bofan Wang , Shiqian Ma , Junfeng Yang , Danqing Zhou

Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…

Nuclear Theory · Physics 2013-10-16 Haozhao Liang , Takashi Nakatsukasa , Zhongming Niu , Jie Meng

Random projections (RP) are a popular tool for reducing dimensionality while preserving local geometry. In many applications the data set to be projected is given to us in advance, yet the current RP techniques do not make use of…

Machine Learning · Computer Science 2019-06-25 Nick Ryder , Zohar Karnin , Edo Liberty

Random Projection (RP) technique has been widely applied in many scenarios because it can reduce high-dimensional features into low-dimensional space within short time and meet the need of real-time analysis of massive data. There is an…

Machine Learning · Computer Science 2017-06-20 Haozhe Xie , Jie Li , Qiaosheng Zhang , Yadong Wang

We present the new Orthogonal Polynomials Approximation Algorithm (OPAA), a parallelizable algorithm that estimates probability distributions using functional analytic approach: first, it finds a smooth functional estimate of the…

Machine Learning · Computer Science 2024-01-23 Lilian W. Bialokozowicz

We derive an exact reduction of the screened second-order exchange (SOSEX) energy in the uniform electron gas to a triple integral for a specific class of single-pole screened interaction. The reduction proceeds by rescaling the frequency…

Computational Physics · Physics 2026-03-25 Fumihiro Imoto

Grant-free random access (RA) has been recognized as a promising solution to support massive connectivity due to the removal of the uplink grant request procedures. While most endeavours assume perfect synchronization among users and the…

Signal Processing · Electrical Eng. & Systems 2024-02-29 Xinyu Bian , Yuyi Mao , Jun Zhang

Stochastic reaction networks that exhibit bistability are common in many fields such as systems biology and materials science. Sampling of the stationary distribution is crucial for understanding and characterizing the long term dynamics of…

Numerical Analysis · Mathematics 2018-01-17 Ting Wang , Petr Plecháč
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