Results 201 to 210 of about 1,593,960 (305)

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong   +4 more
wiley   +1 more source

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

open access: yesAdvanced Intelligent Discovery, EarlyView.
Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang   +9 more
wiley   +1 more source

Accelerating the Discovery of Proton Conducting Electrolytes via Machine Learning‐Enabled Literature Mining

open access: yesAdvanced Intelligent Discovery, EarlyView.
An end‐to‐end knowledge discovery framework is established to automate high‐precision property extraction from small, specialized literature corpora. Utilizing a domain‐specific bidirectional encoder representation from a transformer model and data augmentation, the system accurately extracts and structures electrolyte performance data, ultimately ...
Gaheun Shin   +4 more
wiley   +1 more source

From Word2Vec to Transformers: Text‐Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts

open access: yesAdvanced Intelligent Discovery, EarlyView.
With the downstream filter held fixed, text‐derived composition representations produce distinct screening outcomes across 14 electrocatalyst libraries. Embedding model and composition encoding control the trade‐off between candidate reduction and preservation of the best measured current.
Lei Zhang, Markus Stricker
wiley   +1 more source

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