English
Related papers

Related papers: Extracting Interaction Kernels for Many-Particle S…

200 papers

This paper is concerned with functional learning by utilizing two-stage sampled distribution regression. We study a multi-penalty regularization algorithm for distribution regression under the framework of learning theory. The algorithm…

Machine Learning · Computer Science 2023-11-30 Zhan Yu , Daniel W. C. Ho

This Thesis explores how tools from Statistical Physics and Information Theory can help us describe and understand complex systems. In the first part, we study the interplay between internal interactions, environmental changes, and…

Statistical Mechanics · Physics 2023-03-01 Giorgio Nicoletti

We present a geometric formulation of the Multiple Kernel Learning (MKL) problem. To do so, we reinterpret the problem of learning kernel weights as searching for a kernel that maximizes the minimum (kernel) distance between two convex…

Machine Learning · Computer Science 2014-03-18 John Moeller , Parasaran Raman , Avishek Saha , Suresh Venkatasubramanian

Graphical models are useful tools for describing structured high-dimensional probability distributions. Development of efficient algorithms for learning graphical models with least amount of data remains an active research topic.…

Machine Learning · Computer Science 2021-11-18 Marc Vuffray , Sidhant Misra , Andrey Y. Lokhov

We focus on the distribution regression problem: regressing to a real-valued response from a probability distribution. Although there exist a large number of similarity measures between distributions, very little is known about their…

Statistics Theory · Mathematics 2015-01-28 Zoltan Szabo , Arthur Gretton , Barnabas Poczos , Bharath Sriperumbudur

This study addresses the problem of convolutional kernel learning in univariate, multivariate, and multidimensional time series data, which is crucial for interpreting temporal patterns in time series and supporting downstream machine…

Machine Learning · Computer Science 2025-04-17 Xinyu Chen , HanQin Cai , Fuqiang Liu , Jinhua Zhao

We derive the equations that describe adsorption of diffusing particles onto a surface followed by additional surface kinetic steps before being transported across the interface. Multistage surface kinetics occurs during membrane protein…

Soft Condensed Matter · Physics 2007-05-23 Tom Chou , Maria R. D'Orsogna

This work describes a new version of the Fast Multipole Method for summing pairwise particle interactions that arise from discretizing integral transforms and convolutions on the sphere. The kernel approximations use barycentric Lagrange…

Numerical Analysis · Mathematics 2026-04-01 Anthony Chen , Robert Krasny

We introduce a new method for online parameter estimation in stochastic interacting particle systems, based on continuous observation of a small number of particles from the system. Our method recursively updates the model parameters using…

Statistics Theory · Mathematics 2026-02-25 Louis Sharrock , Nikolas Kantas , Grigorios A. Pavliotis

Entanglement, which quantifies non-local correlations in quantum mechanics, is the fascinating concept behind much of aspiration towards quantum technologies. Nevertheless, directly measuring the entanglement of a many-particle system is…

Disordered Systems and Neural Networks · Physics 2019-01-02 Richard Berkovits

Predicting the adsorption affinity of a small molecule to a target surface is of importance to a range of fields, from catalysis to drug delivery and human safety, but a complex task to perform computationally when taking into account the…

Chemical Physics · Physics 2022-11-16 Ian Rouse , Vladimir Lobaskin

Many scientific problems require identifying a small set of covariates that are associated with a target response and estimating their effects. Often, these effects are nonlinear and include interactions, so linear and additive methods can…

Computation · Statistics 2022-12-02 Raj Agrawal , Tamara Broderick

We consider cooperative reactions and we study the effects of the interaction strength among the system components on the reaction rate, hence realizing a connection between microscopic and macroscopic observables. Our approach is based on…

Quantitative Methods · Quantitative Biology 2012-06-07 Aldo Di Biasio , Elena Agliari , Adriano Barra , Raffaella Burioni

A machine learning technique is proposed for quantifying uncertainty in power system dynamics with spatiotemporally correlated stochastic forcing. We learn one-dimensional linear partial differential equations for the probability density…

Machine Learning · Computer Science 2023-12-19 Tyler E. Maltba , Vishwas Rao , Daniel Adrian Maldonado

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart

The aim of this paper is to discuss the mathematical modeling of Brownian active particle systems, a recently popular paradigmatic system for self-propelled particles. We present four microscopic models with different types of repulsive…

Statistical Mechanics · Physics 2022-05-31 M. Bruna , M. Burger , A. Esposito , S. M. Schulz

In the past few decades, the development of fluorescent technologies and microscopic techniques has greatly improved scientists' ability to observe real-time single-cell activities. In this paper, we consider the filtering problem associate…

Quantitative Methods · Quantitative Biology 2022-07-27 Zhou Fang , Ankit Gupta , Mustafa Khammash

We introduce a method for determining the functional form of the stochastic and dissipative interactions in a dissipative particle dynamics (DPD) model from projected phase space trajectories. The DPD model is viewed as a coarse graining of…

Soft Condensed Matter · Physics 2009-11-13 Anders Eriksson , Martin Nilsson Jacobi , Johan Nystrom , Kolbjorn Tunstrom

We develop Random Batch Methods for interacting particle systems with large number of particles. These methods use small but random batches for particle interactions, thus the computational cost is reduced from $O(N^2)$ per time step to…

Numerical Analysis · Mathematics 2019-09-25 Shi Jin , Lei Li , Jian-Guo Liu

Pairwise learning or dyadic prediction concerns the prediction of properties for pairs of objects. It can be seen as an umbrella covering various machine learning problems such as matrix completion, collaborative filtering, multi-task…

Machine Learning · Computer Science 2016-06-15 Michiel Stock , Tapio Pahikkala , Antti Airola , Bernard De Baets , Willem Waegeman