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Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Intrusive Uncertainty Quantification methods such as stochastic Galerkin are gaining popularity, whereas the classical stochastic Galerkin approach is not ensured to preserve hyperbolicity of the underlying hyperbolic system. We apply a…

Numerical Analysis · Mathematics 2019-12-20 Jakob Dürrwächter , Thomas Kuhn , Fabian Meyer , Louisa Schlachter , Florian Schneider

A restricted Boltzmann machine (RBM) is a generative neural-network model with many novel applications such as collaborative filtering and acoustic modeling. An RBM lacks the capacity to retain memory, making it inappropriate for dynamic…

Machine Learning · Statistics 2018-05-01 Jefferson Hernandez , Andres G. Abad

In this paper we propose a stochastic model predictive control (MPC) algorithm for linear discrete-time systems affected by possibly unbounded additive disturbances and subject to probabilistic constraints. Constraints are treated in…

Systems and Control · Computer Science 2019-02-15 Lukas Hewing , Melanie N. Zeilinger

In simulations of multiscale dynamical systems, not all relevant processes can be resolved explicitly. Taking the effect of the unresolved processes into account is important, which introduces the need for paramerizations. We present a…

Numerical Analysis · Mathematics 2021-04-14 Daan Crommelin , Wouter Edeling

Restricted Boltzmann machines (RBMs) are a powerful class of generative models, but their training requires computing a gradient that, unlike supervised backpropagation on typical loss functions, is notoriously difficult even to…

Machine Learning · Computer Science 2020-11-03 Haik Manukian , Yan Ru Pei , Sean R. B. Bearden , Massimiliano Di Ventra

In this work we explore the possibility of learning from data collision operators for the Lattice Boltzmann Method using a deep learning approach. We compare a hierarchy of designs of the neural network (NN) collision operator and evaluate…

Computational Physics · Physics 2023-03-09 Alessandro Corbetta , Alessandro Gabbana , Vitaliy Gyrya , Daniel Livescu , Joost Prins , Federico Toschi

Lifting operators play an important role in starting a kinetic Boltzmann model from given macroscopic information. The macroscopic variables need to be mapped to the distribution functions, mesoscopic variables of the Boltzmann model. A…

Computational Engineering, Finance, and Science · Computer Science 2014-10-17 Ynte Vanderhoydonc , Wim Vanroose

In this work, we perform a comprehensive study of the machine learning (ML) methods for the purpose of characterising the quantum set of correlations. As our main focus is on assessing the usefulness and effectiveness of the ML approach, we…

Quantum Physics · Physics 2024-07-22 Gabriel Pereira Alves , Nicolas Gigena , Jędrzej Kaniewski

Analyzing quantum many-body problems and elucidating the entangled structure of quantum states is a significant challenge common to a wide range of fields. Recently, a novel approach using machine learning was introduced to address this…

Strongly Correlated Electrons · Physics 2023-11-15 Yusuke Nomura

Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…

Quantum Physics · Physics 2007-09-24 Heinz-Peter Breuer , Bassano Vacchini

This paper develops a unified methodology for probabilistic analysis and optimal control design for jump diffusion processes defined by polynomials. For such systems, the evolution of the moments of the state can be described via a system…

Optimization and Control · Mathematics 2017-02-03 Andrew Lamperski , Khem Raj Ghusinga , Abhyudai Singh

We investigate the impact of momentum-dependent relaxation time approximation in the Boltzmann equation within the Bjorken flow framework by analyzing the moments of the single-particle distribution function. The moment equations, which…

Nuclear Theory · Physics 2025-10-23 Reghukrishnan Gangadharan , Sukanya Mitra , Victor Roy

Physical parameterizations are used as representations of unresolved subgrid processes within weather and global climate models or coarse-scale turbulent models, whose resolutions are too coarse to resolve small-scale processes. These…

Machine Learning · Statistics 2022-10-27 Mohamed Aziz Bhouri , Pierre Gentine

This paper proposes a cutting mechanics-based machine learning (CMML) modeling method to discover governing equations of machining dynamics. The main idea of CMML design is to integrate existing physics in cutting mechanics and unknown…

Machine Learning · Computer Science 2026-01-06 Alisa Ren , Mason Ma , Jiajie Wu , Jaydeep Karandikar , Chris Tyler , Tony Shi , Tony Schmitz

We introduce a hyperbolic closure for the Grad moment expansion of the Bhatnagar-Gross-Krook's (BGK) kinetic model using a neural network (NN) trained on BGK's moment data. This closure is motivated by the exact closure for the free…

Numerical Analysis · Mathematics 2025-01-14 Andrew J. Christlieb , Mingchang Ding , Juntao Huang , Nicholas A. Krupansky

This paper is concerned with the inelastic Boltzmann equation without angular cutoff. We work in the spatially homogeneous case. We establish the global-in-time existence of measure-valued solutions under the generic hard potential…

Analysis of PDEs · Mathematics 2023-04-14 Jin Woo Jang , Kunlun Qi

Meta continual learning algorithms seek to train a model when faced with similar tasks observed in a sequential manner. Despite promising methodological advancements, there is a lack of theoretical frameworks that enable analysis of…

Machine Learning · Computer Science 2020-10-12 R. Krishnan , Prasanna Balaprakash

We present a new statistical learning paradigm for Boltzmann machines based on a new inference principle we have proposed: the latent maximum entropy principle (LME). LME is different both from Jaynes maximum entropy principle and from…

Machine Learning · Computer Science 2012-12-12 Shaojun Wang , Dale Schuurmans , Fuchun Peng , Yunxin Zhao

In the paper we study a measure version of the evolutionary nonlinear Boltzmann-type equation in which we admit a random number of collisions of particles. We consider first a stationary model and use two methods to find its fixed points:…

Analysis of PDEs · Mathematics 2022-05-31 H. Gacki , Ł. Stettner
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