activity
20182026
most citedA foundation model for atomistic materials chemistry

249 citations · 279 across the 40 of their papers we have counts for

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Showing 2026Show all

15 papers · 1 filter

math.NA2026

Optimal Sobolev Approximation by Deterministic and Random Shallow Sigmoidal Networks

Zhaohui Fu, Yangshuai Wang

Shallow networks with prescribed or randomly sampled hidden parameters are widely used as numerical trial spaces, yet their optimal Sobolev approximation power with standard smooth…

math.NA2026

Efficient higher-order multi-scale method and its convergence estimate for dynamic nonlinear hygro-thermo-mechanical coupling problems of heterogeneous structures

Yifei Ding, Hao Dong, Jiale Linghu +1

This paper presents a novel higher-order multi-scale (HOMS) computational framework for efficient, high-accuracy, and low-cost simulation of nonlinear hygro-thermo-mechanical (H-T-…

math.NA2026

A Structure-Adaptive Random Feature Method for High-Dimensional Elliptic PDEs

Jiale Linghu, Hao Dong, Yangshuai Wang

Random-feature methods reduce high-dimensional elliptic PDE collocation to linear coefficient problems, but full-dimensional trial spaces overlook lower-dimensional structure. We i…

math.NA2026

Residual-Christoffel Sampling for Random Feature Collocation of Linear PDEs

Jiale Linghu, Yangshuai Wang

Random feature collocation fixes a randomly generated trial space and determines its coefficients from a linear least-squares system. Stability then depends on whether the sampled…

cs.LG2026

Trainable Photonic Measurement for Physics-Informed PDE Learning

Jiale Linghu, Hao Dong, Yangshuai Wang

Photonic quantum machine learning offers a route to trainable physical representations built from phase, interference and measurement. However, its role in scientific machine learn…

math.NA2026

Random-Feature Kalman Filtering for Linear PDE Data Assimilation

Xi'an Li, Jiale Linghu, Yangshuai Wang

Data assimilation for time-dependent partial differential equations (PDEs) requires Bayesian updates of an evolving field from streaming, sparse, and noisy observations, while keep…

physics.comp-ph2026

Liquid Random Feature Methods for Time-Dependent Partial Differential Equations

Jiale Linghu, Yangshuai Wang

A central challenge in mesh-free space--time approximation for time-dependent partial differential equations is to represent evolving temporal scales while keeping residual minimiz…

physics.comp-ph2026

Local Surrogates for Harmonic Vibrational Entropy in Multilattices

Tina Torabi, Jiale Linghu, Yangshuai Wang

Harmonic vibrational entropy is a key finite-temperature contribution to defect thermodynamics, but direct evaluation by dense Hessian diagonalization scales cubically with atom co…

quant-ph2026

Reliable Adaptive Stopping for Krylov-Shadow Quantum Fisher Information Estimation

Erjie Liu, Yangshuai Wang

Scalable quantum Fisher information (QFI) estimation becomes actionable when the numerical estimate is paired with a trustworthy stopping decision. Krylov-shadow QFI estimation has…

math.NA2026

Geometry-Preserving Nudged Elastic Band and Dimer Methods under Anisotropic Force Uncertainty

Yifan Yu, Yangshuai Wang

The nudged elastic band (NEB) and Dimer methods are standard tools for computing minimum-energy paths and index-one saddle points in atomistic transition problems. They are increas…

quant-ph2026

Symmetry-Protected Basin Localization in Variational Quantum Eigensolvers

Yangshuai Wang

Variational quantum eigensolvers fail before optimization begins when strong correlation splits the molecular energy landscape into competing basins and the initial state selects a…

math.NA2026

A Discrete-Time Random Feature Method for Nonlinear Evolution Equations with Implicit-Explicit Runge--Kutta Time Stepping

Haoran Zhou, Zhaohui Fu, Yangshuai Wang +1

We study a discrete-time random feature method for nonlinear, time-dependent partial differential equations. In contrast to continuous-time formulations that treat time as an addit…

quant-ph2026

Analysis of Hessian Scaling for Local and Global Costs in Variational Quantum Algorithm

Yihan Huang, Yangshuai Wang

Barren plateaus in variational quantum algorithms are typically described by gradient concentration at random initialization. In contrast, rigorous results for the Hessian, even at…

cond-mat.mtrl-sci2026

An AI-ready fine-tuning framework for accurate machine-learning interatomic potentials in solid-solid battery interfaces

Xiaoqing Liu, Xinyu Yu, Yangshuai Wang +6

Atomistic modeling of solid-solid battery interfaces is essential for understanding electro-chemo-mechanical coupling, but the complex interfacial chemistry and heterogeneous envir…

cs.LG2026

Trainability-Oriented Hybrid Quantum Regression via Geometric Preconditioning and Curriculum Optimization

Qingyu Meng, Yangshuai Wang

Quantum neural networks (QNNs) have attracted growing interest for scientific machine learning, yet in regression settings they often suffer from limited trainability under noisy g…