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In this work, a model based on the Physics - Informed Neural Networks (PINNs) for solving elastic deformation of heterogeneous solids and associated Uncertainty Quantification (UQ) is presented. For the present study, the PINNs framework -…

Despite the rapid and significant advancements in deep learning for Quantitative Structure-Activity Relationship (QSAR) models, the challenge of learning robust molecular representations that effectively generalize in real-world scenarios…

Machine Learning · Computer Science 2024-05-28 Jose Arjona-Medina , Ramil Nugmanov

The use of deep learning in physical sciences has recently boosted the ability of researchers to tackle physical systems where little or no analytical insight is available. Recently, the Physics-Informed Neural Networks (PINNs) have been…

Quantum Physics · Physics 2024-10-23 Lorenzo Brevi , Antonio Mandarino , Enrico Prati

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

This paper presents a physics-informed neural network (PINN) approach for monitoring the health of diesel engines. The aim is to evaluate the engine dynamics, identify unknown parameters in a "mean value" model, and anticipate maintenance…

Machine Learning · Computer Science 2023-08-29 Kamaljyoti Nath , Xuhui Meng , Daniel J Smith , George Em Karniadakis

We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment. Our model learns drug representations at multiple scales…

Machine Learning · Computer Science 2022-08-09 Benedek Rozemberczki , Anna Gogleva , Sebastian Nilsson , Gavin Edwards , Andriy Nikolov , Eliseo Papa

The application of deep learning methods to speed up the resolution of challenging power flow problems has recently shown very encouraging results. However, power system dynamics are not snap-shot, steady-state operations. These dynamics…

Machine Learning · Computer Science 2022-06-22 Mostafa Mohammadian , Kyri Baker , Ferdinando Fioretto

We propose to explore the potential of physics-informed neural networks (PINNs) in solving a class of partial differential equations (PDEs) used to model the propagation of chronic inflammatory bowel diseases, such as Crohn's disease and…

Neural networks are a promising tool for characterizing intermediate-scale quantum devices from limited amounts of measurement data. A challenging problem in this area is to learn the action of an unknown quantum process on an ensemble of…

Quantum Physics · Physics 2023-12-06 Yan Zhu , Ya-Dong Wu , Qiushi Liu , Yuexuan Wang , Giulio Chiribella

The development of biophysical models for clinical applications is rapidly advancing in the research community, thanks to their predictive nature and their ability to assist the interpretation of clinical data. However, high-resolution and…

Physics-informed neural networks (PINNs) are employed to solve the Dyson--Schwinger equations of quantum electrodynamics (QED) in Euclidean space, with a focus on the non-perturbative generation of the fermion's dynamical mass function in…

High Energy Physics - Phenomenology · Physics 2025-08-20 Rodrigo Carmo Terin

Ultrafast ultrasound blood flow imaging is a state-of-the-art technique for depiction of complex blood flow dynamics in vivo through thousands of full-view image data (or, timestamps) acquired per second. Physics-informed Neural Network…

Computational Engineering, Finance, and Science · Computer Science 2025-01-14 Haotian Guan , Jinping Dong , Wei-Ning Lee

Physics-informed neural networks have shown promise in solving partial differential equations (PDEs) by integrating physical constraints into neural network training, but their performance is sensitive to the sampling of points. Based on…

Machine Learning · Computer Science 2026-02-05 Tianchi Yu , Ivan Oseledets

Despite their ubiquity, the rich physics present in a plasma sheath has inhibited the development of a generally applicable description of this critical region. The present study utilizes a physics-informed neural network (PINN) to evaluate…

Plasma Physics · Physics 2026-04-27 Ethan Webb , Yuzhi Li , Christopher McDevitt

Classical deep neural networks can learn rich multi-particle correlations in collider data, but their inductive biases are rarely anchored in physics structure. We propose quantum-informed neural networks (QINNs), a general framework that…

High Energy Physics - Phenomenology · Physics 2025-10-22 Aritra Bal , Markus Klute , Benedikt Maier , Melik Oughton , Eric Pezone , Michael Spannowsky

State-of-the-art computer codes for simulating real physical systems are often characterized by a vast number of input parameters. Performing uncertainty quantification (UQ) tasks with Monte Carlo (MC) methods is almost always infeasible…

Computational Physics · Physics 2018-10-17 Rohit Tripathy , Ilias Bilionis

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-02-22 Amol Salunkhe , Dwyer Deighan , Paul DesJardin , Varun Chandola

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Q-learning facilitates the development of an optimal adaptive treatment strategy through stagewise regression on a pre-specified set of tailoring variables and confounders. Semiparametric robust Q-learning eliminates the residual…

Chebyshev polynomials have shown significant promise as an efficient tool for both classical and quantum neural networks to solve linear and nonlinear differential equations. In this work, we adapt and generalize this framework in a quantum…

Quantum Physics · Physics 2025-01-22 Abhishek Setty , Rasul Abdusalamov , Felix Motzoi