相关论文: Geometry-Preserving Nudged Elastic Band and Dimer …
For many applications it is critical to know the uncertainty of a neural network's predictions. While a variety of neural network parameter estimation methods have been proposed for uncertainty estimation, they have not been rigorously…
This paper presents a class of efficient manifold optimization algorithms for computing the ground state solutions of a semilinear elliptic system, which are unstable saddle points of the variational functional. Variational arguments show…
Non-convex constrained optimizations are ubiquitous in robotic applications such as multi-agent navigation, UAV trajectory optimization, and soft robot simulation. For this problem class, conventional optimizers suffer from small step sizes…
Turbulent dynamical systems characterized by both a high-dimensional phase space and a large number of instabilities are ubiquitous among many complex systems in science and engineering. The existence of a strange attractor in the turbulent…
This paper proposes an adaptive dynamic programming-based adaptive-gain sliding mode control (ADP-ASMC) scheme for a fixed-wing unmanned aerial vehicle (UAV) with matched and unmatched disturbances. Starting from the dynamic of fixed-wing…
Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or…
In the analysis of elastic-scattering experimental data, optical-model parameters (usually, depths of real and imaginary potentials) are fitted and conclusions are drawn analyzing their variations at bombardment energies close to the…
Text embeddings are essential components in modern NLP pipelines. Although numerous embedding models have been proposed, no single model consistently dominates across domains and tasks. This variability motivates the use of ensemble…
We present a method for the steady state optimization of nonlinear delay differential equations. The method ensures stability and robustness, where a system is called robust if it remains stable despite uncertain parameters. Essentially, we…
An extendable, efficient and explainable Machine Learning approach is proposed to represent cyclic plasticity and replace conventional material models based on the Radial Return Mapping algorithm. High accuracy and stability by means of a…
In this research, we address critical concerns related to the numerical instability observed in 16-bit computations of machine learning models. Such instability, particularly when employing popular optimization algorithms like Adam, often…
Popular methods for identifying transition paths between energy minima, such as the nudged elastic band and string methods, typically do not incorporate potential energy curvature information, leading to slow relaxation to the minimum…
Adaptive control is subject to stability and performance issues when a learned model is used to enhance its performance. This paper thus presents a deep learning-based adaptive control framework for nonlinear systems with…
Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…
A growing number of applications in particle physics and beyond use neural networks as unbinned likelihood ratio estimators applied to real or simulated data. Precision requirements on the inference tasks demand a high-level of stability…
Neural networks (NNs) lack measures of "reliability" estimation that would enable reasoning over their predictions. Despite the vital importance, especially in areas of human well-being and health, state-of-the-art uncertainty estimation…
We study how to utilize (possibly erroneous) predictions in a model for computing under uncertainty in which an algorithm can query unknown data. Our aim is to minimize the number of queries needed to solve the minimum spanning tree…
We study the non-stationary stochastic multiarmed bandit (MAB) problem and propose two generic algorithms, namely, the limited memory deterministic sequencing of exploration and exploitation (LM-DSEE) and the Sliding-Window Upper Confidence…
The variational static formulation contributed in [International Journal of Engineering Science 143, 73-91 (2019)] is generalized in the present paper to model axial and flexural dynamic behaviors of elastic nano-beams by nonlocal strain…
Upper Confidence Bound (UCB) is arguably the most commonly used method for linear multi-arm bandit problems. While conceptually and computationally simple, this method highly relies on the confidence bounds, failing to strike the optimal…