Results 41 to 50 of about 17,602 (258)

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Advanced Functional Materials, EarlyView.
Integrated workflow accelerates the catalyst discovery of hydrogen evolution reaction via Bayesian optimization. An experiment‐trained surrogate model proposes synthesis conditions, guiding iterative refinement using electrochemical performance metrics.
Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl, Jun Huang   +9 more
wiley   +1 more source

Artificial Intelligence as the Next Visionary in Liquid Crystal Research

Advanced Functional Materials, EarlyView.
The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam, Ouassim L'Karkouri, Danqing Liu   +2 more
wiley   +1 more source

Precise Control of Drug Release in Machine Learning‐Designed Antibody‐Eluting Implants for Postoperative Scarring Inhibition in Glaucoma

Advanced Healthcare Materials, EarlyView.
We developed a micro‐sized, biocompatible implant for postoperative sustained delivery of anti‐fibrotic antibodies in glaucoma surgery. Machine learning‐guided optimization of polymer composition, implant geometry, and porosity enabled precise control of drug release.
Mengqi Qin, Wenbing Jiang, Kai Xin Thong, Zeynep Ulker, Brihitejas Patel, Cynthia Yu‐Wai‐Man   +5 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

Generative Models for Crystalline Materials

Advanced Materials, EarlyView.
Generative machine learning models are increasingly used in crystalline materials design. This review outlines major generative approaches and assesses their strengths and limitations. It also examines how generative models can be adapted to practical applications, discusses key experimental considerations for evaluating generated structures, and ...
Houssam Metni, Laura Ruple, Lauren N. Walters, Luca Torresi, Jonas Teufel, Henrik Schopmans, Jona Östreicher, Yumeng Zhang, Marlen Neubert, Yuri Koide, Kevin Steiner, Paul Link, Lukas Bär, Mariana Petrova, Gerbrand Ceder, Pascal Friederich   +15 more
wiley   +1 more source

Single‐Cell Metabolic Imaging and Digital Scoring of Fat Tissue Remodeling by Label‐Free Metabolic Microscopy

Advanced Science, EarlyView.
Mid‐infrared optoacoustic microscopy (MiROM) acquires lipid‐ and protein‐ associated vibrational contrast in intact fat tissue without dyes, preserving native tissue architecture. Through lateral and axial segmentation, MiROM tracks intrinsic intracellular changes during postnatal remodeling. A quantitative spatial analysis tool (Q‐SAT) maps white‐ and
Myeongseop Kim, Constantin Berger, Alexander Wolf, Alina Peteranderl, Martin Klingenspor, Vasilis Ntziachristos, Yongguo Li, Miguel A. Pleitez   +7 more
wiley   +1 more source

S3RL: Enhancing Spatial Single‐Cell Transcriptomics With Separable Representation Learning

Advanced Science, EarlyView.
Separable Spatial Representation Learning (S3RL) is introduced to enhance the reconstruction of spatial transcriptomic landscapes by disentangling spatial structure and gene expression semantics. By integrating multimodal inputs with graph‐based representation learning and hyperspherical prototype modeling, S3RL enables high‐fidelity spatial domain ...
Laiyi Fu, Penglei Wang, Gaoyuan Xu, Jitao Lu, Qinke Peng, Danyang Wu, Hequan Sun   +6 more
wiley   +1 more source

Encoding Cumulation to Learn Perturbative Nonlinear Oscillatory Dynamics

Advanced Science, EarlyView.
Weak nonlinearities critically shape the long term behavior of oscillatory systems but are difficult to identify from data. A data‐driven framework is introduced to infer governing equations of weakly nonlinear oscillators from sparse and noisy observations.
Teng Ma, Ting‐Ting Gao, Wei Cui, Attilio Frangi, Gang Yan, Lin Zhao   +5 more
wiley   +1 more source

SpatialESD: Spatial Ensemble Domain Detection in Spatial Transcriptomics

Advanced Science, EarlyView.
ABSTRACT Spatial transcriptomics (ST) measures gene expression while preserving spatial context within tissues. One of the key tasks in ST analysis is spatial domain detection, which remains challenging due to the complex structure of ST data and the varying performance of individual clustering methods. To address this, we propose SpatialESD, a Spatial
Hongyan Cao, Gaiqin Liu, Jingyi Xia, Runle Chen, Tong Wang, Xiaoling Yang, Ruiling Fang, Yanhong Luo, Ping Zeng, Hongmei Yu, Yanbo Zhang, Yuehua Cui   +11 more
wiley   +1 more source

Leveraging Artificial Intelligence and Large Language Models for Cancer Immunotherapy

Advanced Science, EarlyView.
Cancer immunotherapy faces challenges in predicting treatment responses and understanding resistance mechanisms. Artificial intelligence (AI) and machine learning (ML) offer powerful solutions for cancer immunotherapy in patient stratification, biomarker discovery, treatment strategy optimization, and foundation model development.
Xinchao Wu, Mengtao Sun, Lusheng Li, Jieqiong Wang, Shibiao Wan   +4 more
wiley   +1 more source