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Discovery of atomistic systems with desirable properties is a major challenge in chemistry and material science. Here we introduce a novel, autoregressive, convolutional deep neural network architecture that generates molecular equilibrium…

Machine Learning · Statistics 2018-10-29 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

This study introduces an algorithm that generates undirected graphs with three main characteristics of real-world networks: scale-freeness, short distances between nodes (small-world phenomenon), and large clustering coefficients. The main…

Social and Information Networks · Computer Science 2025-02-27 João Pedro C. Morais , Ruben Interian

A review of the Loop Algorithm, its generalizations, and its relation to some other Monte Carlo techniques is given. The loop algorithm is a Quantum Monte Carlo procedure which employs nonlocal changes of worldline configurations,…

Strongly Correlated Electrons · Physics 2014-10-13 H. G. Evertz

Many random processes can be simulated as the output of a deterministic model accepting random inputs. Such a model usually describes a complex mathematical or physical stochastic system and the randomness is introduced in the input…

Machine Learning · Statistics 2012-11-21 A. Gokcen Mahmutoglu , Alper T. Erdogan , Alper Demir

This paper presents a novel algorithm solving the classic problem of generating a random sample of size s from population of size n with non-uniform probabilities. The sampling is done with replacement. The algorithm requires constant…

Data Structures and Algorithms · Computer Science 2016-11-03 Michał Startek

Diffusions are a fundamental class of models in many fields, including finance, engineering, and biology. Simulating diffusions is challenging as their sample paths are infinite-dimensional and their transition functions are typically…

Methodology · Statistics 2021-06-11 Paul A. Jenkins , Murray Pollock , Gareth O. Roberts , Michael Sørensen

We give an efficient algorithm to randomly generate finitely generated subgroups of a given size, in a finite rank free group. Here, the size of a subgroup is the number of vertices of its representation by a reduced graph such as can be…

Group Theory · Mathematics 2010-06-21 Frédérique Bassino , Cyril Nicaud , Pascal Weil

We present a quasi-Newton method for unconstrained stochastic optimization. Most existing literature on this topic assumes a setting of stochastic optimization in which a finite sum of component functions is a reasonable approximation of an…

Optimization and Control · Mathematics 2024-09-04 Matt Menickelly , Stefan M. Wild , Miaolan Xie

A cumbersome operation in numerical analysis and linear algebra, optimization, machine learning and engineering algorithms; is inverting large full-rank matrices which appears in various processes and applications. This has both numerical…

Numerical Analysis · Mathematics 2022-06-24 Neophytos Charalambides , Mert Pilanci , Alfred O. Hero

In this paper we introduce and exploit the real replica approach for a minimal generalization of the Hopfield model, by assuming the learned patterns to be distributed accordingly to a standard unit Gaussian. We consider the high storage…

Disordered Systems and Neural Networks · Physics 2009-11-19 Adriano Barra , Francesco Guerra

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform…

Machine Learning · Computer Science 2021-10-15 Qinsheng Zhang , Yongxin Chen

A simple Monte Carlo (MC) algorithm for the simulation of the passage of low-energy gamma rays and electrons through any material medium is presented. The algorithm includes several approximations that accelerate the simulation while…

Accelerator Physics · Physics 2023-10-25 Víctor Moya , Jaime Rosado , Fernando Arqueros

The simulation of complex stochastic network dynamics arising, for instance, from models of coupled biomolecular processes remains computationally challenging. Often, the necessity to scan a models' dynamics over a large parameter space…

Quantitative Methods · Quantitative Biology 2013-03-14 Tiago Ramalho , Marco Selig , Ulrich Gerland , Torsten A. Enßlin

We introduce a Markov Chain Monte Carlo algorithm which samples from the space of spanning trees of complete graphs using local rewiring operations only. The probability distribution of graphs of this kind is shown to depend on the…

Discrete Mathematics · Computer Science 2017-11-21 Neal McBride , John Bulava

Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In…

Machine Learning · Statistics 2024-01-30 Alexandros E. Tzikas , Licio Romao , Mert Pilanci , Alessandro Abate , Mykel J. Kochenderfer

We provide an algorithm for properly learning mixtures of two single-dimensional Gaussians without any separability assumptions. Given $\tilde{O}(1/\varepsilon^2)$ samples from an unknown mixture, our algorithm outputs a mixture that is…

Data Structures and Algorithms · Computer Science 2014-05-20 Constantinos Daskalakis , Gautam Kamath

We present fast and efficient randomized distributed algorithms to find Hamiltonian cycles in random graphs. In particular, we present a randomized distributed algorithm for the $G(n,p)$ random graph model, with number of nodes $n$ and…

Data Structures and Algorithms · Computer Science 2018-04-25 Soumyottam Chatterjee , Reza Fathi , Gopal Pandurangan , Nguyen Dinh Pham

We propose algorithms for construction and random generation of hypergraphs without loops and with prescribed degree and dimension sequences. The objective is to provide a starting point for as well as an alternative to Markov chain Monte…

Data Structures and Algorithms · Computer Science 2020-04-14 Naheed Anjum Arafat , Debabrota Basu , Laurent Decreusefond , Stephane Bressan

This paper develops a polynomial normal transformation model, whereby various non-normal probability distributions can be simulated by the standard normal distribution. Two methods are presented to determine the coefficients of polynomial…

Methodology · Statistics 2015-08-27 Qing Xiao

In this paper we study a class of dynamical systems generated by iterations of multivariate permutation polynomial systems which lead to polynomial growth of the degrees of these iterations. Using these estimates and the same techniques…

Number Theory · Mathematics 2010-01-10 Alina Ostafe
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