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We present a graph random walk (GRW) method for the study of charge transport properties of complex molecular materials in the time-of-flight regime. The molecules forming the material are represented by the vertices of a directed weighted…

统计力学 · 物理学 2025-04-01 Zhongquan Chen , Pim van der Hoorn , Björn Baumeier

We develop a new sampling method to estimate eigenvector centrality on incomplete networks. Our goal is to estimate this global centrality measure having at disposal a limited amount of data. This is the case in many real-world scenarios…

社会与信息网络 · 计算机科学 2020-10-29 Nicolò Ruggeri , Caterina De Bacco

Over the last two decades, network theory has shown to be a fruitful paradigm in understanding the organization and functioning of real-world complex systems. One technique helpful to this endeavor is identifying functionally influential…

物理与社会 · 物理学 2022-01-24 Francesco Picciolo , Franco Ruzzenenti , Petter Holme , Rossana Mastrandrea

Among random sampling methods, Markov Chain Monte Carlo algorithms are foremost. Using a combination of analytical and numerical approaches, we study their convergence properties towards the steady state, within a random walk Metropolis…

统计力学 · 物理学 2024-01-08 Alexei D. Chepelianskii , Satya N. Majumdar , Hendrik Schawe , Emmanuel Trizac

The Metropolis-Hastings algorithm is a fundamental Markov chain Monte Carlo (MCMC) method for sampling and inference. With the advent of Big Data, distributed and parallel variants of MCMC methods are attracting increased attention. In this…

数据结构与算法 · 计算机科学 2019-07-16 Weiming Feng , Thomas P. Hayes , Yitong Yin

We construct a class of non-reversible Metropolis kernels as a multivariate extension of the guided-walk kernel proposed by Gustafson 1998. The main idea of our method is to introduce a projection that maps a state space to a totally…

统计计算 · 统计学 2021-03-16 Kengo Kamatani , Xiaolin Song

Metropolis-Hastings estimates intractable expectations - can differentiating the algorithm estimate their gradients? The challenge is that Metropolis-Hastings trajectories are not conventionally differentiable due to the discrete…

统计理论 · 数学 2024-06-21 Gaurav Arya , Moritz Schauer , Ruben Seyer

The amount and variety of data is increasing drastically for several years. These data are often represented as networks, which are then explored with approaches arising from network theory. Recent years have witnessed the extension of…

机器学习 · 计算机科学 2022-10-04 Anthony Baptista , Aitor Gonzalez , Anaïs Baudot

Subsampling techniques can reduce the computational costs of processing big data. Practical subsampling plans typically involve initial uniform sampling and refined sampling. With a subsample, big data inferences are generally built on the…

统计方法学 · 统计学 2022-09-13 Yan Fan , Yang Liu , Yukun Liu , Jing Qin

The literature in social network analysis has largely focused on methods and models which require complete network data; however there exist many networks which can only be studied via sampling methods due to the scale or complexity of the…

应用统计 · 统计学 2019-11-25 Haema Nilakanta , Zack W. Almquist , Galin L. Jones

Optimal scaling has been well studied for Metropolis-Hastings (M-H) algorithms in continuous spaces, but a similar understanding has been lacking in discrete spaces. Recently, a family of locally balanced proposals (LBP) for discrete spaces…

机器学习 · 计算机科学 2022-10-17 Haoran Sun , Hanjun Dai , Dale Schuurmans

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of…

机器学习 · 计算机科学 2022-03-29 Hyeonjin Park , Seunghun Lee , Sihyeon Kim , Jinyoung Park , Jisu Jeong , Kyung-Min Kim , Jung-Woo Ha , Hyunwoo J. Kim

As the popularity of graph data increases, there is a growing need to count the occurrences of subgraph patterns of interest, for a variety of applications. Many graphs are massive in scale and also fully dynamic (with insertions and…

数据库 · 计算机科学 2022-11-15 Kaixin Wang , Cheng Long , Da Yan , Jie Zhang , H. V. Jagadish

Sampling random nodes is a fundamental algorithmic primitive in the analysis of massive networks, with many modern graph mining algorithms critically relying on it. We consider the task of generating a large collection of random nodes in…

社会与信息网络 · 计算机科学 2021-10-27 Omri Ben-Eliezer , Talya Eden , Joel Oren , Dimitris Fotakis

We introduce weighted Markovian graphs, a random walk model that decouples the transition dynamics of a Markov chain from (random) edge weights representing the cost of traversing each edge. This decoupling allows us to study the…

最优化与控制 · 数学 2026-03-30 Thao Le , Robbert van der Burg , Bernd Heidergott , Ines Lindner , Alessandro Zocca

Random Reshuffling (RR) is an algorithm for minimizing finite-sum functions that utilizes iterative gradient descent steps in conjunction with data reshuffling. Often contrasted with its sibling Stochastic Gradient Descent (SGD), RR is…

最优化与控制 · 数学 2021-04-06 Konstantin Mishchenko , Ahmed Khaled , Peter Richtárik

In this paper, we propose irreversible versions of the Metropolis Hastings (MH) and Metropolis adjusted Langevin algorithm (MALA) with a main focus on the latter. For the former, we show how one can simply switch between different proposal…

统计方法学 · 统计学 2018-03-14 Yi-An Ma , Emily B. Fox , Tianqi Chen , Lei Wu

One main limitation of the existing optimal scaling results for Metropolis--Hastings algorithms is that the assumptions on the target distribution are unrealistic. In this paper, we consider optimal scaling of random-walk Metropolis…

统计计算 · 统计学 2020-05-05 Jun Yang , Gareth O. Roberts , Jeffrey S. Rosenthal

Powerful ideas recently appeared in the literature are adjusted and combined to design improved samplers for Bayesian exponential random graph models. Different forms of adaptive Metropolis-Hastings proposals (vertical, horizontal and…

统计计算 · 统计学 2014-09-18 Alberto Caimo , Antonietta Mira

Graphs are often used to organize data because of their simple topological structure, and therefore play a key role in machine learning. And it turns out that the low-dimensional embedded representation obtained by graph representation…

机器学习 · 计算机科学 2021-01-05 Xing Li , Wei Wei , Xiangnan Feng , Zhiming Zheng