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The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…

Computational Physics · Physics 2013-03-19 Ulrich Welling , Guido Germano

The semivarying coefficient models are widely used in the application of finance, economics, medical science and many other areas. The functional coefficients are commonly estimated by local smoothing methods, e.g. local linear estimator.…

Methodology · Statistics 2020-01-01 Heng Peng , Chuanlong Xie , Jingxin Zhao

Despite being recognized as neurobiologically plausible, active inference faces difficulties when employed to simulate intelligent behaviour in complex environments due to its computational cost and the difficulty of specifying an…

Machine Learning · Computer Science 2024-06-12 Aswin Paul , Noor Sajid , Lancelot Da Costa , Adeel Razi

The linear programming (LP) approach has a long history in the theory of approximate dynamic programming. When it comes to computation, however, the LP approach often suffers from poor scalability. In this work, we introduce a relaxed…

Systems and Control · Electrical Eng. & Systems 2020-12-01 Andrea Martinelli , Matilde Gargiani , John Lygeros

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

Due to their weak inductive bias, Multi-Layer Perceptrons (MLPs) have subpar performance at low-compute levels compared to standard architectures such as convolution-based networks (CNN). Recent work, however, has shown that the performance…

Machine Learning · Computer Science 2024-10-15 Sean Wu , Jordan Hong , Keyu Bai , Gregor Bachmann

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how…

Numerical Analysis · Mathematics 2023-01-31 Sohei Arisaka , Qianxiao Li

Computational models of human language often involve combinatorial problems. For instance, a probabilistic parser may marginalize over exponentially many trees to make predictions. Algorithms for such problems often employ dynamic…

Computation and Language · Computer Science 2021-09-16 Tim Vieira , Ryan Cotterell , Jason Eisner

In this work, we present an algorithm for the diagonalization of the Integration-by-Parts (IBP) equations. Diagonalized IBP equations are indispensable for reducing loop integrals with high numerator powers to master integrals and for…

High Energy Physics - Phenomenology · Physics 2025-12-08 Junhan W. Liu , Alexander Mitov

In this paper, we study spline trajectory generation via the solution of two optimisation problems: (i) a quadratic program (QP) with linear equality constraints and (ii) a nonlinear and nonconvex optimisation program. We propose an…

Systems and Control · Electrical Eng. & Systems 2021-05-06 Declan Burke , Airlie Chapman , Iman Shames

In order to solve continuous-time optimal control problems, direct methods transcribe the infinite-dimensional problem to a nonlinear program (NLP) using numerical integration methods. In cases where the integration error can be manipulated…

Optimization and Control · Mathematics 2025-03-18 Jakob Harzer , Jochem De Schutter , Moritz Diehl

It was recently demonstrated that a simple Monte Carlo (MC) algorithm involving the swap of particle pairs dramatically accelerates the equilibrium sampling of simulated supercooled liquids. We propose two numerical schemes integrating the…

Statistical Mechanics · Physics 2019-06-24 Ludovic Berthier , Elijah Flenner , Christopher J. Fullerton , Camille Scalliet , Murari Singh

This paper presents a novel repeater insertion algorithm for interconnect power minimization. The novelty of our approach is in the judicious integration of an analytical solver and a dynamic programming based method. Specifically, the…

Other Computer Science · Computer Science 2011-11-09 Xun Liu , Yuantao Peng , Marios C. Papaefthymiou

Bilevel optimization has gained significant attention in recent years due to its broad applications in machine learning. This paper focuses on bilevel optimization in decentralized networks and proposes a novel single-loop algorithm for…

Optimization and Control · Mathematics 2024-04-24 Youran Dong , Shiqian Ma , Junfeng Yang , Chao Yin

We address the problem of estimating the inputs of a dynamical system from measurements of the system's outputs. To this end, we introduce a novel estimation algorithm that explicitly trades off bias and variance to optimally reduce the…

Machine Learning · Computer Science 2019-09-20 Sebastian Curi , Kfir Y. Levy , Andreas Krause

This document presents an Integer Linear Programming (ILP) approach to optimize pedestrian evacuation in flood-prone historic urban areas. The model aims to minimize total evacuation cost by integrating pedestrian speed, route length, and…

Physics and Society · Physics 2025-04-18 Fabrizio Marinelli , Andrea Pizzuti , Guido Romano , Gabriele Bernardini , Enrico Quagliarini

Exploration is a fundamental problem in robotics. While sampling-based planners have shown high performance, they are oftentimes compute intensive and can exhibit high variance. To this end, we propose to directly learn the underlying…

Robotics · Computer Science 2022-07-15 Lukas Schmid , Chao Ni , Yuliang Zhong , Roland Siegwart , Olov Andersson

Linear optimal power flow (LOPF) algorithms use a linearization of the alternating current (AC) load flow equations to optimize generator dispatch in a network subject to the loading constraints of the network branches. Common algorithms…

Adaptation and Self-Organizing Systems · Physics 2018-02-01 Jonas Hörsch , Henrik Ronellenfitsch , Dirk Witthaut , Tom Brown

We propose an algorithm to actively estimate the parameters of a linear dynamical system. Given complete control over the system's input, our algorithm adaptively chooses the inputs to accelerate estimation. We show a finite time bound…

Machine Learning · Computer Science 2020-06-23 Andrew Wagenmaker , Kevin Jamieson

We present an algorithmic framework for a variant of the quantum Monte Carlo operator-loop algorithm, where non-local cluster updates are constructed in a way that makes each individual loop smaller. The algorithm is designed to increase…

Statistical Mechanics · Physics 2016-09-08 Ying-Jer Kao , Roger G. Melko
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