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Xingliang Peng

Publications and source records attributed to Xingliang Peng.

3 recordsLinked to original sources

Physics-Informed Neural Networks for Viscoacoustic Wave Propagation: Forward Modelling, Inversion and Discretization Sensitivity

Seismic wave forward and inverse modeling are fundamental tools for subsurface imaging and geological hazard assessment. Conventional grid-based numerical methods, such as finite-difference and finite-element approaches, often require dense discretization and repeated forward simulations, leading to high computational cost in inverse problems. Although deep learning has shown promise in seismic applications, its performance is commonly limited by the need for large labeled datasets and weak enforcement of physical constraints. In this study, we propose a unified physics-informed neural network (PINN) framework for forward modeling and parameter inversion of viscoacoustic wave propagation. By embedding the viscoacoustic wave equation into the learning process, the proposed framework accurately reproduces wavefields, attenuation, and phase characteristics, while enabling the simultaneous inversion of velocity and attenuation parameters from temporally sparse observations. Numerical experiments demonstrate that the PINN approach achieves stable and reliable accuracy compared with finite-difference solutions, while exhibiting reduced sensitivity to spatial discretization. These results highlight the potential of PINNs as a data-efficient and physically consistent alternative for high-resolution seismic modeling and inversion in attenuative media.

physics.geo-ph

Integrating Deep-Learning-Based Magnetic Model and Non-Collinear Spin-Constrained Method: Methodology, Implementation and Application

We propose a non-collinear spin-constrained method that generates training data for deep-learning-based magnetic model, which provides a powerful tool for studying complex magnetic phenomena that requires large-scale simulations at the atomic level. First, we propose a basis-independent projection method for calculating atomic magnetic moments by applying a radial truncation to numerical atomic orbitals. A double-loop Lagrange multiplier method is utilized to ensure the satisfaction of constraint conditions while achieving accurate magnetic torque. The method is implemented in ABACUS with both plane wave basis and numerical atomic orbital basis. We benchmark the iron (Fe) systems and analyze differences from calculations with the plane wave basis and numerical atomic orbitals basis in describing magnetic energy barriers. Based on an automated workflow composed of first-principles calculations, magnetic model, active learning, and dynamics simulation, more than 30,000 first-principles data with the information of magnetic torque are generated to train a deep-learning-based magnetic model DeePSPIN for the Fe system. By utilizing the model in large-scale molecular dynamics simulations, we successfully predict Curie temperatures of alpha-Fe close to experimental values.

cond-mat.mtrl-sci

ABACUS: An Electronic Structure Analysis Package for the AI Era

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and molecular dynamics functions and is compatible with both plane-wave basis sets and numerical atomic orbital basis sets. ABACUS serves as a platform that facilitates the integration of various electronic structure methods, such as Kohn-Sham DFT, stochastic DFT, orbital-free DFT, and real-time time-dependent DFT, etc. In addition, with the aid of high-performance computing, ABACUS is designed to perform efficiently and provide massive amounts of first-principles data for generating general-purpose machine learning potentials, such as DPA models. Furthermore, ABACUS serves as an electronic structure platform that interfaces with several AI-assisted algorithms and packages, such as DeePKS-kit, DeePMD, DP-GEN, DeepH, DeePTB, HamGNN, etc.

cond-mat.mtrl-sci