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Machine learning for scientific applications faces the challenge of limited data. We propose a framework that leverages a priori known physics to reduce overfitting when training on relatively small datasets. A deep neural network is…

机器学习 · 计算机科学 2019-11-22 Jonathan B. Freund , Jonathan F. MacArt , Justin Sirignano

The starting point of this work is a framework allowing to model systems with dynamic process creation, equipped with a procedure to detect symmetric executions (ie., which differ only by the identities of processes). This allows to reduce…

计算机科学中的逻辑 · 计算机科学 2013-02-15 Łukasz Fronc

A new approach to the steady state detection in the uniformization method of solving continuous time Markov chains is introduced. The method is particularly useful in solving inhomogenous CTMC's in multiple steps, where the desired error…

性能 · 计算机科学 2014-10-14 Maciej Burak

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

计算工程、金融与科学 · 计算机科学 2019-10-01 Seung Woo Shin , Chris Thachuk , Erik Winfree

An issue for molecular dynamics simulations is that events of interest often involve timescales that are much longer than the simulation time step, which is set by the fastest timescales of the model. Because of this timescale separation,…

统计力学 · 物理学 2024-08-15 John Strahan , Chatipat Lorpaiboon , Jonathan Weare , Aaron R. Dinner

This paper presents two novel ensemble domain decomposition methods for fast-solving the Stokes-Darcy coupled models with random hydraulic conductivity and body force. To address such random systems, we employ the Monte Carlo (MC) method to…

数值分析 · 数学 2024-08-13 Chunchi Liu , Yao Rong , Yizhong Sun , Jiaping Yu , Haibiao Zheng

State space models (SSMs) are a flexible approach to modeling complex time series. However, inference in SSMs is often computationally prohibitive for long time series. Stochastic gradient MCMC (SGMCMC) is a popular method for scalable…

机器学习 · 统计学 2019-07-11 Christopher Aicher , Yi-An Ma , Nicholas J. Foti , Emily B. Fox

Scientific research and engineering practice often require the modeling and decomposition of nonlinear systems. The Dynamic Mode Decomposition (DMD) is a novel Koopman-based technique that effectively dissects high-dimensional nonlinear…

Switching state-space models (SSSM) are a very popular class of time series models that have found many applications in statistics, econometrics and advanced signal processing. Bayesian inference for these models typically relies on Markov…

统计计算 · 统计学 2010-11-11 Nick Whiteley , Christophe Andrieu , Arnaud Doucet

Density matrix exponentiation (DME) is a general procedure that converts an unknown quantum state into the Hamiltonian evolution. This enables state-dependent operations and can reveal nontrivial properties of the state, among other…

量子物理 · 物理学 2025-09-19 Kaito Wada , Jumpei Kato , Hiroyuki Harada , Naoki Yamamoto

This paper deals with the state estimation problem in discrete-event systems modeled with nondeterministic finite automata, partially observed via a sensor measuring unit whose measurements (reported observations) may be vitiated by a…

信息论 · 计算机科学 2020-11-04 Yuting Li , Christoforos N. Hadjicostis , Naiqi Wu , Zhiwu Li

Dynamic quantum circuits (DQCs) incorporate mid-circuit measurements and gates conditioned on these measurement outcomes. DQCs can prepare certain long-range entangled states in constant depth, making them a promising route to preparing…

量子物理 · 物理学 2024-10-14 Faisal Alam , Bryan K. Clark

Density tempering (also called density annealing) is a sequential Monte Carlo approach to Bayesian inference for general state models; it is an alternative to Markov chain Monte Carlo. When applied to state space models, it moves a…

统计方法学 · 统计学 2022-04-05 David Gunawan , Robert Kohn , Minh Ngoc Tran

Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…

数学物理 · 物理学 2013-12-24 Yannis Pantazis , Markos Katsoulakis

In many astrophysical applications, the cost of solving a chemical network represented by a system of ordinary differential equations (ODEs) grows significantly with the size of the network, and can often represent a significant…

天体物理仪器与方法 · 物理学 2022-12-21 T. Grassi , F. Nauman , J. P. Ramsey , S. Bovino , G. Picogna , B. Ercolano

We present the spatial regime conversion method (SRCM), a novel hybrid modelling framework for simulating reaction-diffusion systems that adaptively combines stochastic discrete and deterministic continuum representations. Extending the…

定量方法 · 定量生物学 2025-07-08 Charles G. Cameron , Cameron A. Smith , Christian A. Yates

Stochastic reaction network models are often used to explain and predict the dynamics of gene regulation in single cells. These models usually involve several parameters, such as the kinetic rates of chemical reactions, that are not…

统计计算 · 统计学 2020-01-07 Thomas A. Catanach , Huy D. Vo , Brian Munsky

The use of machine learning methods helps to improve decision making in different fields. In particular, the idea of bridging predictions (machine learning models) and prescriptions (optimization problems) is gaining attention within the…

最优化与控制 · 数学 2022-11-22 Antonio Alcántara , Carlos Ruiz

Fast and robust dynamic state estimation (DSE) is essential for accurately capturing the internal dynamic processes of power systems, and it serves as the foundation for reliably implementing real-time dynamic modeling, monitoring, and…

系统与控制 · 电气工程与系统科学 2025-01-07 Jianhua Pei , Ping Wang , Jingyu Wang , Dongyuan Shi

Coagulation and fragmentation (CF) is a fundamental process by which particles attach to each other to form clusters while existing clusters break up into smaller ones. It is a ubiquitous process that plays a key role in many physical and…

统计力学 · 物理学 2020-12-22 Farid Manuchehrfar , Wei Tian , Tom Chou , Jie Liang