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Numerical modeling errors are unavoidable in finite element analysis. The presence of model errors inherently reflects both model accuracy and uncertainty. To date there have been few methods for explicitly quantifying errors at points of…

Machine Learning · Computer Science 2024-11-19 Bozhou Zhuang , Sashank Rana , Brandon Jones , Danny Smyl

Finding model parameters from data is an essential task in science and engineering, from weather and climate forecasts to plasma control. Previous works have employed neural networks to greatly accelerate finding solutions to inverse…

Machine Learning · Computer Science 2024-08-16 Philipp Holl , Nils Thuerey

We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum many-body systems in continuous Hilbert…

Nuclear Theory · Physics 2025-04-30 Elad Parnes , Nir Barnea , Giuseppe Carleo , Alessandro Lovato , Noemi Rocco , Xilin Zhang

Deep neural networks have proven extremely efficient at solving a wide rangeof inverse problems, but most often the uncertainty on the solution they provideis hard to quantify. In this work, we propose a generic Bayesian framework…

Machine Learning · Statistics 2020-11-18 Zaccharie Ramzi , Benjamin Remy , Francois Lanusse , Jean-Luc Starck , Philippe Ciuciu

Recent work has shown that probabilistic models based on pairwise interactions-in the simplest case, the Ising model-provide surprisingly accurate descriptions of experiments on real biological networks ranging from neurons to genes.…

Quantitative Methods · Quantitative Biology 2007-12-18 Tamara Broderick , Miroslav Dudik , Gasper Tkacik , Robert E. Schapire , William Bialek

In this paper, we show the implementation of deep neural networks applied in process control. In our approach, we based the training of the neural network on model predictive control. Model predictive control is popular for its ability to…

Machine Learning · Computer Science 2019-12-11 Karol Kiš , Martin Klaučo

In this paper, we introduce an innovative approach for addressing Bayesian inverse problems through the utilization of physics-informed invertible neural networks (PI-INN). The PI-INN framework encompasses two sub-networks: an invertible…

Numerical Analysis · Mathematics 2023-10-04 Xiaofei Guan , Xintong Wang , Hao Wu , Zihao Yang , Peng Yu

While machine learning (ML) models have been able to achieve unprecedented accuracies across various prediction tasks in quantum chemistry, it is now apparent that accuracy on a test set alone is not a guarantee for robust chemical modeling…

The willingness to trust predictions formulated by automatic algorithms is key in a vast number of domains. However, a vast number of deep architectures are only able to formulate predictions without an associated uncertainty. In this…

Image and Video Processing · Electrical Eng. & Systems 2022-09-28 Matteo Ferrante , Tommaso Boccato , Nicola Toschi

We use a convolutional neural network to retrieve the internuclear distance in the two-dimensional H$_2^{+}$ molecule ionized by a strong few-cycle laser pulse based on the photoelectron momentum distribution. We show that a neural network…

Atomic Physics · Physics 2022-02-16 N. I. Shvetsov-Shilovski , M. Lein

We consider a model of an artificial neural network based on quantum-mechanical particles in $W$ potential. These particles play the role of neurons in our model. To simulate such a quantum-mechanical system the Monte-Carlo integration…

Quantum Physics · Physics 2022-08-17 O. V. Pavlovsky , V. I. Dorozhinsky , S. D. Mostovoy

At its core, Quantum Mechanics is a theory developed to describe fundamental observations in the spectroscopy of solids and gases. Despite these practical roots, however, quantum theory is infamous for being highly counterintuitive, largely…

Quantum Physics · Physics 2020-01-20 Emmanuel Flurin , Leigh S. Martin , Shay Hacohen-Gourgy , Irfan Siddiqi

Estimation of physical quantities is at the core of most scientific research and the use of quantum devices promises to enhance its performances. In real scenarios, it is fundamental to consider that the resources are limited and Bayesian…

This work presents a quantum convolutional neural network (QCNN) for the classification of high energy physics events. The proposed model is tested using a simulated dataset from the Deep Underground Neutrino Experiment. The proposed…

Machine Learning · Computer Science 2020-12-23 Samuel Yen-Chi Chen , Tzu-Chieh Wei , Chao Zhang , Haiwang Yu , Shinjae Yoo

While the deployment of neural networks, yielding impressive results, becomes more prevalent in various applications, their interpretability and understanding remain a critical challenge. Network inversion, a technique that aims to…

Machine Learning · Computer Science 2024-02-20 Pirzada Suhail , Supratik Chakraborty , Amit Sethi

Combining physics with machine learning models has advanced the performance of machine learning models in many different applications. In this paper, we evaluate adding a weak physics constraint, i.e., a physics-based empirical…

Geophysics · Physics 2024-03-11 Qingkai Kong , William R. Walter , Ruijia Wang , Brandon Schmandt

Neural network potentials (NNPs) combine the computational efficiency of classical interatomic potentials with the high accuracy and flexibility of the ab initio methods used to create the training set, but can also result in unphysical…

Materials Science · Physics 2022-01-24 Leonid Kahle , Federico Zipoli

Emulator embedded neural networks, which are a type of physics informed neural network, leverage multi-fidelity data sources for efficient design exploration of aerospace engineering systems. Multiple realizations of the neural network…

Machine Learning · Computer Science 2023-09-14 Atticus Beachy , Harok Bae , Jose Camberos , Ramana Grandhi

Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

Computational Physics · Physics 2021-10-05 Viktor Zaverkin , David Holzmüller , Ingo Steinwart , Johannes Kästner

A physics-informed machine learning model, in the form of a multi-output Gaussian process, is formulated using the Euler-Bernoulli beam equation. Given appropriate datasets, the model can be used to regress the analytical value of the…

Machine Learning · Statistics 2023-08-08 Gledson Rodrigo Tondo , Sebastian Rau , Igor Kavrakov , Guido Morgenthal