Results 181 to 190 of about 5,093 (260)

Young's Modulus Variation of the Deformable Cement Adhesives Under Thermal Action in LRHS. [PDF]

Materials (Basel)
Karpiesiuk J, Chyzy T.
europepmc   +1 more source

Matrices Over Polynomial Rings [PDF]

Transactions of the American Mathematical Society, 1961
openaire   +1 more source

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

Advanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

An approach for coherent periodogram averaging of tilt-series data for improved contrast transfer function estimation. [PDF]

FEBS Open Bio
Khavnekar S, Wan W.
europepmc   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Enhancing Sealing Performance Predictions: A Comprehensive Study of XGBoost and Polynomial Regression Models with Advanced Optimization Techniques. [PDF]

Materials (Basel)
Zhou W, Xie Z.
europepmc   +1 more source

Gaussian Process Regression–Neural Network Hybrid with Optimized Redundant Coordinates: A New Simple Yet Potent Tool for Scientist's Machine Learning Toolbox

Advanced Intelligent Discovery, EarlyView.
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley   +1 more source

Operando photocatalytic cell for time-resolved XAS/GC analysis of gas phase CO₂ photoreduction. [PDF]

J Synchrotron Radiat
Roth S, Bonduelle-Skrzypczak A, Legens C, Marin J, Barthe L, Beauvois A, Briois V, Raybaud P.   +7 more
europepmc   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Chain Size and Knots of Ring Polymers in All-Crossing and Intra-Crossing Melts. [PDF]

Polymers (Basel)
Mo J, Guo J, Yu X, Yang J, Hu G, Xin J, Yan M, Wang Y, Mo Y, Jia Y, Wu L, Ruan Y.   +11 more
europepmc   +1 more source