Results 151 to 160 of about 2,251,103 (302)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

An open-source parallel algorithm of Bayesian-based global search with Hooke–Jeeves local refinement for multi-objective optimization problems

Nonlinear Analysis
Contemporary engineering and scientific problems often involve computationally intensive optimization tasks. This paper proposes a parallel version of the hybrid algorithm of the previously proposed Bayesian-based global search with Hooke–Jeeves local ...
Linas Litvinas
doaj   +1 more source

Performance–Complexity Trade‐Offs in Battery Lifetime Prediction with Task‐Aware Transformers

Advanced Science, EarlyView.
FAST‐BatPro integrates convolutional feature extraction, flash Attention, and sparse attention for efficient battery lifetime prediction. Using limited early‐cycle data across multiple chemistries and operating conditions, it achieves robust accuracy while reducing inference latency, computational cost, and energy consumption.
Jingyuan Zhao, Misheng Cai, Zhenghong Wang, Yan Wang, Yuqi Li, Bo Dong, Hewu Wang, Andrew F. Burke, Simona Onori, Stephen J. Harris   +9 more
wiley   +1 more source

Model-output-based federated Bayesian optimization

Complex & Intelligent Systems
Bayesian optimization (BO) has evolved from single-agent optimization to multi-agent collaborative optimization, namely Federated Bayesian Optimization (FBO), aimed at collaboratively improving the optimization performance of all agents.
Lin Yang, Qiqi Liu, Zhigang Zhao, Yunhe Wang, Junhua Gu   +4 more
doaj   +1 more source

Calibration Procedures for Approximate Bayesian Credible Sets

, 2019
We develop and apply two calibration procedures for checking the coverage of approximate Bayesian credible sets, including intervals estimated using Monte Carlo methods.
Nicholls, GK, Ryder, RJ, Lee, Jeong
core  

mlr3mbo: Bayesian optimization in R

Patterns
We present mlr3mbo, a modular toolbox for Bayesian optimization in R. mlr3mbo supports single- and multi-objective optimization, multi-point proposals, batch and asynchronous parallelization, and robust error handling. While it can be used for many standard Bayesian optimization variants in applied settings, researchers can also construct custom ...
Marc Becker, Lennart Schneider, Martin Binder, Lars Kotthoff, Bernd Bischl   +4 more
openaire   +2 more sources

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

Unifying Composition and Process Design: A Heterogeneous Graph Neural Network for Discovering High‐Performance Cu Alloys

Advanced Science, EarlyView.
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin, Qian Lei, Wei Yan, Yue Li, Tong Xie, Shuang Zhou, Chong Wang, Bram Hoex, Qiang Long, Caoyang Jiang, Min Song, Zhou Li, Zhangwei Wang   +12 more
wiley   +1 more source

Generation of Probabilistic Bits by Exploiting Orthogonal Spin Currents in Magnetic Trilayers

Advanced Science, EarlyView.
Fe/Ti/CoFeB trilayers generate orthogonal spin currents that drive stochastic spin–orbit‐torque switching for probabilistic‐bit operation. The switching probability is continuously controlled by the in‐plane magnetic field and drive current, enabling tunable random bit generation.
Donghyeon Han, Chaehyeon Shin, Seok‐Jong Kim, Yunho Jang, Daekyu Koh, Taehwan Kim, Jaeheon Jung, Geon‐Woo Baek, Minseok Kang, Eunseok Kim, Geun‐Hee Lee, Jeongchun Ryu, Makoto Kohda, Junsaku Nitta, Kab‐Jin Kim, Jongsun Park, Kyung‐Jin Lee, Byong‐Guk Park   +17 more
wiley   +1 more source

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

Advanced 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, Chao Xu, Jingyue Yu, Qi Wang, Hongze Fang, Shuo Yin, Turab Lookman, Ruirun Chen   +7 more
wiley   +1 more source