Manuscript | Yangshuai Wang

2D-ProteinRAG: Mitigating Intent-Context Misalignment in Homology-Based Protein Question Answering

Sat, 24 Oct 2026 00:00:00 +0000

Under review.

An AI-Ready Fine-Tuning Framework for Accurate Machine-Learning Interatomic Potentials in Solid–Solid Battery Interfaces

Sat, 24 Oct 2026 00:00:00 +0000

Co-first author.

Under review.

Autonomous Knowledge Distillation for an AI-Ready Knowledge Layer

Sat, 24 Oct 2026 00:00:00 +0000

Co-first author.

Under review.

Evaluating Universal Interatomic Potentials for Metallic Systems: From Elastic Response to Defect Energetics and Ideal Strength

Sat, 24 Oct 2026 00:00:00 +0000

Under review.

Flexible Boundary Sequential Coupling for Atomistic Simulation of Crystal Defects

Sat, 24 Oct 2026 00:00:00 +0000

Co-first author.

Preprint.

NanoTitan: An AI-Driven Memory-Efficient Platform for High-Performance Molecular Dynamics Simulation

Sat, 24 Oct 2026 00:00:00 +0000

Preprint.

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

Mon, 01 Jan 0001 00:00:00 +0000

Co-corresponding author.

Under review.

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

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

A Study on the Fine-Tuning Performance of Universal Machine-Learned Interatomic Potentials (U-MLIPs)

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Preprint.

Analysis of Hessian Variance Scaling for Local and Global Cost Functions in Variational Quantum Algorithms

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Formulation and Analysis of Blended Atomistic to Higher-Order Continuum Coupling Methods for Crystalline Defects

Mon, 01 Jan 0001 00:00:00 +0000

Co-corresponding author.

Preprint.

From Energy-Force Weighting to Primal-Dual Optimization of Machine-Learned Interatomic Potentials

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

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

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Liquid Random Feature Methods for Time-Dependent Partial Differential Equations

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Local Surrogates for Harmonic Vibrational Entropy in Multilattices

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster Expansion

Mon, 01 Jan 0001 00:00:00 +0000

Preprint.

Moment-Informed Force Rescaling for Random-Batch Langevin Dynamics

Mon, 01 Jan 0001 00:00:00 +0000

Co-corresponding author.

Under review.

Optimal Sobolev Approximation by Deterministic and Random Shallow Sigmoidal Networks

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Random Feature Kalman Filtering for Linear PDE Data Assimilation

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Residual-Christoffel Sampling for Random Feature Collocation of Linear PDEs

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

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

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.

Trainable Photonic Measurement for Physics-Informed PDE Learning

Mon, 01 Jan 0001 00:00:00 +0000

Corresponding author.

Under review.