Results 231 to 240 of about 348,843 (261)

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

A Multimodal Intelligent System for Human Digital Twin Simulation with Continuous Kinematic Data Tracking, Biometric Prognosis, and Cognitive State Feedback in Industrial Environments

open access: yesAdvanced Intelligent Discovery, EarlyView.
This article implements a unified human digital twin framework that integrates cutting edge actuation, sensing, simulation, and bidirectional feedback capability. The approach includes integrating multimodal sensing, AI, and biomechanical simulation into one compact system.
Tajbeed Ahmed Chowdhury   +4 more
wiley   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

open access: yesAdvanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez   +4 more
wiley   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen   +13 more
wiley   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

open access: yesAdvanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song   +6 more
wiley   +1 more source

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