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Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…
Conformal Geometric Algebra (CGA) is a framework that allows the representation of objects, such as points, planes and spheres, and deformations, such as translations, rotations and dilations as uniform vectors, called multivectors. In this…
High penetration of renewables (RES) and the retirement of thermal units aggravate flexibility scarcity in power systems. Hydrogen-based low-carbon steel production systems possess substantial demand response (DR) potential. This paper…
Battery-powered mobile devices (e.g., smartphones, AR/VR glasses, and various IoT devices) are increasingly being used for AI training due to their growing computational power and easy access to valuable, diverse, and real-time data.…
We present an object-oriented geophysical and astrophysical spectral-element adaptive refinement (GASpAR) code for application to turbulent flows. Like most spectral-element codes, GASpAR combines finite-element efficiency with…
This paper introduces an adaptive physics-guided neural network (APGNN) framework for predicting quality attributes from image data by integrating physical laws into deep learning models. The APGNN adaptively balances data-driven and…
Molecular dynamics (MD) simulations provide atomistic insight into biomolecular systems but are often limited by high computational costs required to access long timescales. Coarse-grained machine learning models offer a promising avenue…
Large Language Models (LLMs) demand substantial computational resources, resulting in high energy consumption on GPUs. To address this challenge, we focus on Coarse-Grained Reconfigurable Arrays (CGRAs) as an effective alternative that…
This paper designs a helper-assisted resource allocation strategy in non-orthogonal multiple access (NOMA)-enabled mobile edge computing (MEC) systems, in order to guarantee the quality of service (QoS) of the energy/delay-sensitive user…
A novel method combining maximum entropy principle, the Bayesian-inference of ensembles approach, and the optimization of empirical forward models is presented. Here we focus on the Karplus parameters for RNA systems, which relate the…
Modeling spatial heterogeneity and associated critical transitions remains a fundamental challenge in geography and environmental science. While conventional Geographically Weighted Regression (GWR) and deep learning models have improved…
In this work we propose an adaptive Finite Element Method (FEM) formulation for the Deformable Image Registration problem (DIR) together with a residual-based a posteriori error estimator, whose efficiency and reliability are theoretically…
Energy-based finite-element formulations provide a unified framework for describing complex physical systems in computational mechanics. In these energy-based methods, the governing equations can be obtained directly by considering the…
Text-to-image diffusion models achieve high visual fidelity but surprisingly exhibit systematic failures in numerical control when prompts specify explicit object counts. To address this limitation, we introduce ATHENA, a model-agnostic,…
Ensembles are ubiquitous in off-policy actor-critic learning, yet their efficacy depends critically on how they are aggregated. Current methods typically rely on static rules or task-specific hyperparameters to balance overestimation bias…
A computational method is presented which is capable to obtain low lying energy structures of topological amorphous systems. The method merges a differential mutation genetic algorithm with simulated annealing. This is done by incorporating…
Deep Neural Networks (DNNs) have shown significant advantages in a wide variety of domains. However, DNNs are becoming computationally intensive and energy hungry at an exponential pace, while at the same time, there is a vast demand for…
An increasing number of software applications incorporate runtime Deep Neural Networks (DNNs) to process sensor data and return inference results to humans. Effective deployment of DNNs in these interactive scenarios requires meeting…
We present a global hybrid meta-generalized gradient approximation (meta-GGA) with three empirical parameters, as well as its underlying semilocal meta-GGA and a meta-GGA with only one empirical parameter. All of them are based on the new…
The rapidly changing landscapes of modern optimization problems require algorithms that can be adapted in real-time. This paper introduces an Adaptive Metaheuristic Framework (AMF) designed for dynamic environments. It is capable of…