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The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

Likelihood-based inference in stochastic non-linear dynamical systems, such as those found in chemical reaction networks and biological clock systems, is inherently complex and has largely been limited to small and unrealistically simple…

Computation · Statistics 2024-07-08 Ben Swallow , David A. Rand , Giorgos Minas

Reinforcement learning suffers from limitations in real practices primarily due to the number of required interactions with virtual environments. It results in a challenging problem because we are implausible to obtain a local optimal…

Machine Learning · Computer Science 2024-10-28 Qizhen Wu , Kexin Liu , Lei Chen

At the core of some of the most important problems in plasma physics -- from controlled nuclear fusion to the acceleration of cosmic rays -- is the challenge to describe nonlinear, multi-scale plasma dynamics. The development of reduced…

Plasma Physics · Physics 2022-09-13 E. Paulo Alves , Frederico Fiuza

This paper studies continuous-time stochastic control problems whose controlled states are fully non-Markovian and depend on unknown model parameters. Such problems arise naturally in path-dependent stochastic differential equations,…

Machine Learning · Statistics 2026-05-29 Dorival Leão , Alberto Ohashi , Simone Scotti , Adolfo M. D da Silva

The design of efficient electrolysis devices for pure metal production requires accurate data on the properties of the melts used in the process. This work focuses on two key systems for calcium production: the molten Ca-Cu alloy and the…

Materials Science · Physics 2026-03-27 M. Polovinkin , N. Rybin , D. Maksimov , F. Valiev , A. Khudorozhkova , M. Laptev , A. Rudenko , A. Shapeev

We introduce the so called DeepParticle method to learn and generate invariant measures of stochastic dynamical systems with physical parameters based on data computed from an interacting particle method (IPM). We utilize the expressiveness…

Machine Learning · Computer Science 2022-06-22 Zhongjian Wang , Jack Xin , Zhiwen Zhang

Power flow analysis plays a critical role in the control and operation of power systems. The high computational burden of traditional solution methods led to a shift towards data-driven approaches, exploiting the availability of digital…

Systems and Control · Electrical Eng. & Systems 2024-09-17 Victor Eeckhout , Hossein Fani , Md Umar Hashmi , Geert Deconinck

In this work, we present a deep collocation method for three dimensional potential problems in nonhomogeneous media. This approach utilizes a physics informed neural network with material transfer learning reducing the solution of the…

Machine Learning · Computer Science 2022-05-12 Hongwei Guo , Xiaoying Zhuang , Pengwan Chen , Naif Alajlan , Timon Rabczuk

We consider the problem of the estimation of a high-dimensional probability distribution from i.i.d. samples of the distribution using model classes of functions in tree-based tensor formats, a particular case of tensor networks associated…

Machine Learning · Statistics 2021-05-21 Erwan Grelier , Anthony Nouy , Régis Lebrun

We present a principled data-driven strategy for learning deterministic hydrodynamic models directly from stochastic non-equilibrium active particle trajectories. We apply our method to learning a hydrodynamic model for the propagating…

Soft Condensed Matter · Physics 2022-01-24 Suryanarayana Maddu , Quentin Vagne , Ivo F. Sbalzarini

In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilibrium properties of thermal nano- and micro-particle systems…

Statistical Mechanics · Physics 2024-06-12 Alessandro Simon , Martin Oettel

We propose a hierarchy of multi-level kinetic Monte Carlo methods for sampling high-dimensional, stochastic lattice particle dynamics with complex interactions. The method is based on the efficient coupling of different spatial resolution…

Numerical Analysis · Mathematics 2012-08-06 Evangelia Kalligiannaki , Markos A. Katsoulakis , Petr Plechac

Recent applications of machine learning, in particular deep learning, motivate the need to address the generalizability of the statistical inference approaches in physical sciences. In this letter, we introduce a modular physics guided…

Machine Learning · Computer Science 2021-02-03 Suraj Pawar , Omer San , Burak Aksoylu , Adil Rasheed , Trond Kvamsdal

We present on-line policy gradient algorithms for computing the locally optimal policy of a constrained, average cost, finite state Markov Decision Process. The stochastic approximation algorithms require estimation of the gradient of the…

Optimization and Control · Mathematics 2018-12-18 Vikram Krishnamurthy , Felisa Vazquez Abad

Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize…

Computational Physics · Physics 2025-11-07 Yoh-ichi Mototake , Makoto Sasaki

Machine learning-based models to predict product state distributions from a distribution of reactant conditions for atom-diatom collisions are presented and quantitatively tested. The models are based on function-, kernel- and grid-based…

Chemical Physics · Physics 2020-11-06 Julian Arnold , Debasish Koner , Silvan Käser , Narendra Singh , Raymond J. Bemish , Markus Meuwly

We investigate a new structure for machine learning classifiers applied to problems in high-energy physics by expanding the inputs to include not only measured features but also physics parameters. The physics parameters represent a…

High Energy Physics - Experiment · Physics 2016-05-25 Pierre Baldi , Kyle Cranmer , Taylor Faucett , Peter Sadowski , Daniel Whiteson

We present a novel method for learning reduced-order models of dynamical systems using nonlinear manifolds. First, we learn the manifold by identifying nonlinear structure in the data through a general representation learning problem. The…

Numerical Analysis · Mathematics 2026-05-27 Rudy Geelen , Laura Balzano , Stephen Wright , Karen Willcox

In high energy density physics (HEDP) and inertial confinement fusion (ICF), predictive modeling is complicated by uncertainty in parameters that characterize various aspects of the modeled system, such as those characterizing material…