Results 181 to 190 of about 6,924,444 (307)

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

Advanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob, Karsten Reuter, Johannes T. Margraf   +2 more
wiley   +1 more source

A meta learning and task adaptive approach for drug target affinity prediction. [PDF]

Nat Commun
Wan M, Zhao Y, Zhang Y, Xu H, Yi D, Zan P, He S, Bo X.   +7 more
europepmc   +1 more source

Artificial Intelligence for Bone: Theory, Methods, and Applications

Advanced Intelligent Discovery, EarlyView.
Advances in artificial intelligence (AI) offer the potential to improve bone research. The current review explores the contributions of AI to pathological study, biomarker discovery, drug design, and clinical diagnosis and prognosis of bone diseases. We envision that AI‐driven methodologies will enable identifying novel targets for drugs discovery. The
Dongfeng Yuan, Haicang Zhang, Liping Tong, Di Chen   +3 more
wiley   +1 more source

Meta-learning for few-shot open task recognition. [PDF]

Sci Rep
Han X, Shi D, Wang Z, Chen Y, Jin S, Yang S.   +5 more
europepmc   +1 more source

Deep Learning‐Assisted Coherent Raman Scattering Microscopy

Advanced Intelligent Discovery, EarlyView.
The analytical capabilities of coherent Raman scattering microscopy are augmented through deep learning integration. This synergistic paradigm improves fundamental performance via denoising, deconvolution, and hyperspectral unmixing. Concurrently, it enhances downstream image analysis including subcellular localization, virtual staining, and clinical ...
Jianlin Liu, Rujia Liu, Xinyan Zhang, Xun Chen, Shuhua Yue   +4 more
wiley   +1 more source

Meta learning optimized TabNet for small sample repeat prostate biopsy prediction. [PDF]

Discov Oncol
Lou J, Xu J, Mao D, Zhao Y, Ye F, Wu M.
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

Advanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Secure aggregation for heterogeneous enterprise data based on federated meta-learning. [PDF]

Sci Rep
Yang C, Ma Y.
europepmc   +1 more source

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source

Meta learning based few shot knowledge graph completion with domain selected aggregation. [PDF]

Sci Rep
Yang B, Peng M, Liu S, Shi M.
europepmc   +1 more source