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Magnetic adhesion tracked climbing robots are widely utilized in high-altitude inspection, welding, and cleaning tasks due to their ability to perform various operations against gravity on vertical or inclined walls. However, during…
In this work, we present a transition-state optimization protocol based on the Mode-Tracking algorithm [J. Chem. Phys. 118 (2003) 1634]. By calculating only the eigenvector of interest instead of diagonalizing the full Hessian matrix and…
This paper studies the fundamental problem of learning energy-based model (EBM) in the latent space of the generator model. Learning such prior model typically requires running costly Markov Chain Monte Carlo (MCMC). Instead, we propose to…
This paper develops three linear and energy-stable schemes for a modified phase field crystal model with a strong nonlinear vacancy potential (VMPFC model). This sixth-order phase-field model enables realistic crystal growth simulation.…
We revisit the color-diffusion algorithm [P. C. Aeberhard et al., Phys. Rev. Lett. 108, 095901 (2012)] in nonequilibrium ab initio molecular dynamics (NE-AIMD), and propose a simple efficient approach for the estimation of monovacancy jump…
Electromagnetic transient (EMT) simulation is a crucial tool for power system dynamic analysis because of its detailed component modeling and high simulation accuracy. However, it suffers from computational burdens for large power grids…
$k$-Nearest Neighbor search on dense vector embeddings ($k$-NN retrieval) from pre-trained embedding models is the predominant retrieval method for text and images, as well as Retrieval-Augmented Generation (RAG) pipelines. In practice,…
Nonelastic breakup (NEB) reactions induced by the halo nucleus $^{11}$Be on $^{64}$Zn at 28.7 MeV are investigated using the Ichimura-Austern-Vincent (IAV) model combined with the Continuum Discretized Coupled Channels (CDCC) method. NEB…
The problem of computing saddle points is important in certain problems in numerical partial differential equations and computational chemistry, and is often solved numerically by a minimization problem over a set of mountain passes. We…
Gesture recognition on wearable devices is extensively applied in human-computer interaction. Electromyography (EMG) has been used in many gesture recognition systems for its rapid perception of muscle signals. However, analyzing EMG…
In this paper, based a novel primal-dual dynamical model with adaptive scaling parameters and Bregman divergences, we propose new accelerated primal-dual proximal gradient splitting methods for solving bilinear saddle-point problems with…
The study of nonequilibrium steady-state (NESS) in the Ising model offers rich insights into the properties of complex systems far from equilibrium. This paper explores the nature of NESS phase transitions in two-dimensional (2D)…
Visual navigation is a core challenge in Embodied AI, requiring autonomous agents to translate high-dimensional sensory observations into continuous, long-horizon action trajectories. While generative policies based on diffusion models and…
In this paper, we mainly focus on the rigorous convergence analysis of two fully decoupled, unconditionally energy-stable methods for the diffuse interface two-phase magnetohydrodynamics (MHD) model. The two methods consist of the…
Stochastically controlled stochastic gradient (SCSG) methods have been proved to converge efficiently to first-order stationary points which, however, can be saddle points in nonconvex optimization. It has been observed that a stochastic…
Astrophysical modeling of processes in environments that are not in local thermal equilibrium requires the knowledge of state-to-state rate coefficients of rovibrational transitions in molecular collisions. These rate coefficients can be…
Fidelity approach has been widely used to detect various types of quantum phase transitions, including some that are beyond the Landau symmetry breaking theory, in condensed matter models. However, challenges remain in locating the…
Predicting the binding affinity between small molecules and target macromolecules while combining both speed and accuracy, is a cornerstone of modern computational drug discovery which is critical for accelerating therapeutic development.…
Recent studies has revealed that Microtubules (MTs) exhibit three transition states of growth, shrinkage and pause. In this paper, we first introduce a three states random evolution model as a framework for studying MTs dynamics in three…
Quasiperiodic models are important physical platforms to explore Anderson transitions in low dimensional systems, yet the exact mobility edges (MEs) are generally hard to be determined analytically. To date, the MEs in only a few models can…