There is an opportunity for deep learning to revolutionize science and technology by revealing its findings in a human interpretable manner. To do this, we develop a novel data-driven approach for creating a human-machine partnership to accelerate scientific discovery. By collecting physical system responses under excitations drawn from a Gaussian process, we train rational neural networks to learn Green's functions of hidden linear partial differential equations. These functions reveal human-understandable properties and features, such as linear conservation laws and symmetries, along with shock and singularity locations, boundary effects, and dominant modes. We illustrate the technique on several examples and capture a range of physics, including advection-diffusion, viscous shocks, and Stokes flow in a lid-driven cavity.
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http://dx.doi.org/10.1038/s41598-022-08745-5 | DOI Listing |
Sci Rep
January 2025
Department of Applied Physics, School of Engineering Sciences, KTH Royal Institute of Technology, AlbaNova University Center, SE-10691, Stockholm, Sweden.
Non-trivial band topology along with magnetism leads to different novel quantum phases. When time-reversal symmetry is broken in three-dimensional topological insulators (TIs) through, e.g.
View Article and Find Full Text PDFLupus Sci Med
January 2025
School of Sport, Exercise and Rehabilitation Sciences, University of Birmingham, Birmingham, UK
Introduction: SLE is a chronic autoimmune disease that results in sustained hyperactivation of innate and adaptive immune cells and widespread inflammatory damage. Regular exercise reduces SLE symptoms including fatigue and joint pain and improves patient quality of life. However, most individuals with SLE are not sufficiently active to achieve these benefits, and guidance on the optimal approach to exercise is limited.
View Article and Find Full Text PDFJ Acoust Soc Am
January 2025
Hangzhou Applied Acoustics Research Institute, Hangzhou, Zhejiang 311400, China.
To measure the electroacoustic parameters of transducers in the continuous sound field in a limited water area, a reciprocity calibration method of hydrophones using a spatial sampling average method in a non-anechoic tank was developed. The sound propagation in the non-anechoic tank under the impedance boundary condition, with a sound source producing continuous sound, is introduced based on the Helmholtz equation and Green's function. The reciprocity constant is given using the spatial sampling average sound pressure, and the three-transducer reciprocity calibration procedure was established.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Laboratory of Theoretical Chemistry, Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest H-1117, Hungary.
Single-Molecule Junctions (SMJs) are key platforms for the exploration of electron transport at the molecular scale. In this study, we present a method that employs different exchange-correlation density functionals for the molecule and the lead domains in an SMJ, enabling the selection of the optimal one for each part. This is accomplished using a formally exact projection-based density-functional theory (DFT-in-DFT) embedding technique combined with the non-equilibrium Green's function method to predict zero-bias conductance.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division (PSE), Thuwal 23955-6900, Saudi Arabia.
Employing density functional theory for ground state quantum mechanical calculations and the non-equilibrium Green's function method for transport calculations, we investigate the potential of CdS, ZnS, CdZnS, and ZnCdS as tunnel barriers in magnetic tunnel junctions for spintronics. Based on the finding that the valence band edges of these semiconductors are dominated by p orbitals and the conduction band edges by s orbitals, we show that symmetry filtering of the Bloch states in magnetic tunnel junctions with Fe electrodes results in high tunneling magnetoresistances and high spin-polarized current (up to two orders of magnitude higher than in the case of the Fe/MgO/Fe magnetic tunnel junction).
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