Results 221 to 230 of about 480,334 (285)

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

RAMS: Residual‐Based Adversarial‐Gradient Moving Sample Method for Scientific Machine Learning in Solving Partial Differential Equations

open access: yesAdvanced Intelligent Discovery, EarlyView.
We propose a residual‐based adversarial‐gradient moving sample (RAMS) method for scientific machine learning that treats samples as trainable variables and updates them to maximize the physics residual, thereby effectively concentrating samples in inadequately learned regions.
Weihang Ouyang   +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

When Biology Meets Medicine: A Perspective on Foundation Models

open access: yesAdvanced Intelligent Discovery, EarlyView.
Artificial intelligence, and foundation models in particular, are transforming life sciences and medicine. This perspective reviews biological and medical foundation models across scales, highlighting key challenges in data availability, model evaluation, and architectural design.
Kunying Niu   +3 more
wiley   +1 more source

Robot‐Assisted Measurement of the Critical Micelle Concentration

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The study introduces (SIMO) smart integrator for manual operations, a robotic platform for precise, repeatable determination of (CMC) critical micelle concentration in surfactants. SIMO reduces standard deviation by 80% compared to manual methods. Surfactant, dye, and diluent selection, robotic protocols, and data handling are detailed.
Vincenzo Scamarcio   +3 more
wiley   +1 more source

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