Results 161 to 170 of about 80,670 (263)

Isaac and Mae

open access: yesThe Iowa Review, 2000
openaire   +1 more source

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan   +3 more
wiley   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

open access: yesAdvanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer   +6 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

open access: yesAdvanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova   +4 more
wiley   +1 more source

Machine Learning Driven Inverse Design of Broadband Acoustic Superscattering

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multilayer acoustic superscatterers are designed using machine learning to achieve broadband superscattering and strong sound insulation. By incorporating a weighted mean absolute error into the loss function, the forward and inverse neural networks accurately map structural parameters to spectral responses.
Lijuan Fan, Xiangliang Zhang, Ying Wu
wiley   +1 more source

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