Results 191 to 200 of about 17,106 (295)

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

open access: yesAdvanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen   +7 more
wiley   +1 more source

Identifying interactions in omics data for clinical biomarker discovery using symbolic regression. [PDF]

open access: yesBioinformatics, 2022
Christensen NJ   +6 more
europepmc   +1 more source

AI‐Designed Cyclic Peptides Enable Controllable Modulation of the CD28 Immune Checkpoint

open access: yesAdvanced Science, EarlyView.
AI‐designed cyclic peptides enable controllable modulation of the CD28 immune checkpoint through reversible disruption of CD28‐CD80/CD86 interactions. The lead peptide, CIP‐3, suppresses T‐cell activation without intrinsic agonist activity, demonstrates dose‐dependent efficacy in a murine colitis model, and attenuates inflammatory cytokine production ...
Katarzyna Kuncewicz   +4 more
wiley   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

SR-LLM: An incremental symbolic regression framework driven by LLM-based retrieval-augmented generation. [PDF]

open access: yesProc Natl Acad Sci U S A
Guo Z   +9 more
europepmc   +1 more source

A Periosteum‐Inspired Janus Piezoelectric Scaffold Using Bioenergetic‐Driven H‐Type Vascularization for Diabetic Bone Regeneration

open access: yesAdvanced Science, EarlyView.
A periosteum‐inspired Janus piezoelectric scaffold converts micromechanical forces into electrical signals and synergizes with controlled resveratrol release. This dual action reprograms endothelial metabolism, drives H‑type vessel formation, and restores bone–vessel coupling in diabetic bone defects.
Kai Wang, Kai Jiang
wiley   +1 more source

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