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Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to…

Computational Physics · Physics 2023-03-07 Yu Xie , Jonathan Vandermause , Senja Ramakers , Nakib H. Protik , Anders Johansson , Boris Kozinsky

Rapid reconstruction of 2D plasma profiles from line-integral measurements is important in nuclear fusion. This paper introduces a physics-informed model architecture called Onion, that can enhance the performance of models and be adapted…

We present a machine learning approach for model-independent new physics searches. The corresponding algorithm is powered by recent large-scale implementations of kernel methods, nonparametric learning algorithms that can approximate any…

High Energy Physics - Phenomenology · Physics 2022-10-17 Marco Letizia , Gianvito Losapio , Marco Rando , Gaia Grosso , Andrea Wulzer , Maurizio Pierini , Marco Zanetti , Lorenzo Rosasco

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

Materials Science · Physics 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

Critical heat flux is a key quantity in boiling system modeling due to its impact on heat transfer and component temperature and performance. This study investigates the development and validation of an uncertainty-aware hybrid modeling…

Machine Learning · Computer Science 2025-07-17 Aidan Furlong , Xingang Zhao , Robert Salko , Xu Wu

Experimental data is often comprised of variables measured independently, at different sampling rates (non-uniform ${\Delta}$t between successive measurements); and at a specific time point only a subset of all variables may be sampled.…

Machine Learning · Computer Science 2023-05-01 Saurabh Malani , Tom S. Bertalan , Tianqi Cui , Jose L. Avalos , Michael Betenbaugh , Ioannis G. Kevrekidis

The fact that accurately predicted information can serve as an energy source paves the way for new approaches to autonomous learning. The energy derived from a sequence of successful predictions can be recycled as an immediate incentive and…

Emerging Technologies · Computer Science 2024-07-09 Alex Ushveridze

Deep kernel learning is a promising combination of deep neural networks and nonparametric function learning. However, as a data driven approach, the performance of deep kernel learning can still be restricted by scarce or insufficient data,…

Machine Learning · Statistics 2022-01-20 Zheng Wang , Wei Xing , Robert Kirby , Shandian Zhe

Recent developments in theoretical modeling and in computational power have allowed us to make significant progress on a goal not achieved yet in nuclear theory: a fully microscopic theory of nuclear fission. The complete microscopic…

Nuclear Theory · Physics 2020-03-23 Aurel Bulgac , Shi Jin , Ionel Stetcu

We present an introduction to some concepts of Bayesian data analysis in the context of atomic physics. Starting from basic rules of probability, we present the Bayes' theorem and its applications. In particular we discuss about how to…

Data Analysis, Statistics and Probability · Physics 2024-01-30 Martino Trassinelli

The behavior of many Bayesian models used in machine learning critically depends on the choice of prior distributions, controlled by some hyperparameters that are typically selected by Bayesian optimization or cross-validation. This…

Machine Learning · Statistics 2023-10-09 Eliezer de Souza da Silva , Tomasz Kuśmierczyk , Marcelo Hartmann , Arto Klami

We propose a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of parametric partial differential equations (PDEs) conditioned on partial observations, which includes,…

Machine Learning · Computer Science 2026-02-11 Davide Gallon , Philippe von Wurstemberger , Patrick Cheridito , Arnulf Jentzen

We try to establish a unified information theoretic approach to learning and to explore some of its applications. First, we define {\em predictive information} as the mutual information between the past and the future of a time series,…

Data Analysis, Statistics and Probability · Physics 2007-05-23 Ilya Nemenman

This paper addresses Bayesian inference related to partial differential equations (PDEs), particularly nonparametric regression constrained by PDEs. To effectively encode prior information, we propose a novel framework that learns a…

Statistics Theory · Mathematics 2026-02-09 Junxiong Jia , Deyu Meng , Zongben Xu , Fang Yao

Studying materials informatics from a data mining perspective can be beneficial for manufacturing and other industrial engineering applications. Predictive data mining technique and machine learning algorithm are combined to design a…

Databases · Computer Science 2012-09-20 Doreswamy , Hemanth K. S

Real-world robotic applications, from autonomous exploration to assistive technologies, require adaptive, interpretable, and data-efficient learning paradigms. While deep learning architectures and foundation models have driven significant…

Robotics · Computer Science 2025-06-11 Octavio Arriaga , Rebecca Adam , Melvin Laux , Lisa Gutzeit , Marco Ragni , Jan Peters , Frank Kirchner

This rapid communication devises a Neural Induction Machine (NeuIM) model, which pilots the use of physics-informed machine learning to enable AI-based electromagnetic transient simulations. The contributions are threefold: (1) a formation…

Machine Learning · Computer Science 2023-10-02 Qing Shen , Yifan Zhou , Peng Zhang

We address the problem of Bayesian reinforcement learning using efficient model-based online planning. We propose an optimism-free Bayes-adaptive algorithm to induce deeper and sparser exploration with a theoretical bound on its performance…

Machine Learning · Computer Science 2020-06-30 Divya Grover , Debabrota Basu , Christos Dimitrakakis

Embedding physical knowledge into neural network (NN) training has been a hot topic. However, when facing the complex real-world, most of the existing methods still strongly rely on the quantity and quality of observation data. Furthermore,…

Fluid Dynamics · Physics 2024-11-20 Dashan Zhang , Yuntian Chen , Shiyi Chen

The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods…

Machine Learning · Statistics 2019-09-11 Constantin Grigo , Phaedon-Stelios Koutsourelakis